A0A3Q0KQZ6_SCHMA Loading...

Acyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KQZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 446 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36	Very low	29	Very low	243 Å²	243	145.1 Å²	145.1	100%	1.197	81%	0.814	S	S	*	*				0	113.9	0	-86	174.4	171.9	0	0	107.6	A3	M1-A3 PolarHBondContact O-N 2.68Å
2	V	35.8	Very low	28.9	Very low	137 Å²	137	140.1 Å²	140.1	83%	0.83	79%	0.789	S	S	*	*			trans	-68.3	108.4	-176.2	176.8	0	0	0	0	108.5	N4	V2-N4 PolarHBondContact O-N 2.8Å
3	A	33.8	Very low	28.7	Very low	98 Å²	98	136.8 Å²	136.8	81%	0.81	78%	0.781	S	S	*	*			trans	-81	112.7	169.1	0	0	0	0	0	107.8	M1 L5	M1-A3 PolarHBondContact O-N 2.68Å; A3-L5 PolarHBondContact O-N 3.5Å
4	N	29	Very low	28.8	Very low	136 Å²	136	133.1 Å²	133.1	73%	0.727	77%	0.766	S	S	*	*			trans	-52.8	127.5	-172.7	-91.7	-34.9	0	0	0	113.7	V2 N6	V2-N4 PolarHBondContact O-N 2.8Å; N4-N6 VanDerWaalsContact C-N 3.31Å; N4-N6 PolarHBondContact O-N 3.2Å
5	L	28.8	Very low	29.3	Very low	161 Å²	161	130 Å²	130	84%	0.843	74%	0.744	S	S	*	*			trans	-58	88.3	155.9	-77.9	147.6	0	0	0	109.7	A3 S7	A3-L5 PolarHBondContact O-N 3.5Å; L5-S7 PolarHBondContact O-N 3.42Å; L5-S7 VanDerWaalsContact O-N 3.11Å
6	N	27.7	Very low	30.3	Very low	147 Å²	147	123.2 Å²	123.2	79%	0.786	71%	0.705	S	S	*	*			trans	-82.7	70.4	161.3	-92	-12.4	0	0	0	109.3	N4 S8	N4-N6 VanDerWaalsContact C-N 3.31Å; N4-N6 PolarHBondContact O-N 3.2Å; N6-S8 PolarHBondContact O-N 3.35Å
7	S	25.7	Very low	31.5	Very low	101 Å²	101	123 Å²	123	71%	0.706	70%	0.696	S	S	*	*			trans	-81.5	72.6	156.9	65.1	0	0	0	0	108.1	L5 N9	L5-S7 PolarHBondContact O-N 3.42Å; L5-S7 VanDerWaalsContact O-N 3.11Å; S7-N9 PolarHBondContact O-N 3.47Å
8	S	27.1	Very low	32.8	Very low	99 Å²	99	120.6 Å²	120.6	69%	0.692	68%	0.68	S	S	*	*			trans	-75.1	79.4	166.2	47.9	0	0	0	0	108.5	N6 K10	N6-S8 PolarHBondContact O-N 3.35Å; S8-K10 PolarHBondContact O-N 3.01Å
9	N	24.4	Very low	34.1	Very low	144 Å²	144	120 Å²	120	77%	0.77	67%	0.669	S	S	*	*			trans	-67.3	67	166.3	-150	7.8	0	0	0	108.6	S7 N11	S7-N9 PolarHBondContact O-N 3.47Å; N9-N11 PolarHBondContact O-N 2.98Å
10	K	27.4	Very low	35	Very low	178 Å²	178	119.2 Å²	119.2	77%	0.774	66%	0.663	S	S	*	*			trans	-90.6	91.6	167.1	-79.3	-169.7	176.2	178.9	0	107.4	S8 V12	S8-K10 PolarHBondContact O-N 3.01Å; K10-V12 HydrophobicContact CB-CG2 3.86Å; K10-V12 PolarHBondContact O-N 2.74Å
11	N	23.7	Very low	36.1	Very low	152 Å²	152	115.6 Å²	115.6	81%	0.813	64%	0.642	S	S	*	*			trans	-47.9	77.4	146.4	-82.9	-37.6	0	0	0	109.3	N9 S13	N9-N11 PolarHBondContact O-N 2.98Å; N11-S13 PolarHBondContact O-N 2.81Å
12	V	27.3	Very low	36.7	Very low	85 Å²	85	112 Å²	112	52%	0.515	63%	0.628	S	S	.	*			trans	-87.4	94.4	165.6	-175.9	0	0	0	0	105.2	K10 C14 I15	K10-V12 HydrophobicContact CB-CG2 3.86Å; K10-V12 PolarHBondContact O-N 2.74Å; V12-C14 PolarHBondContact O-N 3.4Å; V12-I15 HydrophobicContact CG1-CD1 3.3Å; V12-I15 HydrophobicContact CG1-CG1 3.61Å
13	S	26.7	Very low	37.3	Very low	98 Å²	98	110.5 Å²	110.5	69%	0.685	61%	0.611	S	S	*	*			trans	-32.1	123.9	160.8	55	0	0	0	0	109.6	N11 I15	N11-S13 PolarHBondContact O-N 2.81Å; S13-I15 WeakPolarHBondContact O-CG1 3.34Å; S13-I15 PolarHBondContact O-N 3.26Å
14	C	30.4	Very low	38.1	Very low	85 Å²	85	107.5 Å²	107.5	57%	0.574	59%	0.589	S	S	*	*			trans	-36.6	99.6	179.8	-56.8	0	0	0	0	111.3	V12 N16 R31	V12-C14 PolarHBondContact O-N 3.4Å; C14-N16 PolarHBondContact O-N 3.49Å; C14-R31 HydrophobicContact CB-CG 4.33Å
15	I	35.2	Very low	39.4	Very low	86 Å²	86	101 Å²	101	44%	0.441	55%	0.554	S	S	.	*			trans	-75.1	108.2	178.8	-67	174.4	0	0	0	104.8	V12 S13 H17	V12-I15 HydrophobicContact CG1-CD1 3.3Å; V12-I15 HydrophobicContact CG1-CG1 3.61Å; S13-I15 WeakPolarHBondContact O-CG1 3.34Å; S13-I15 PolarHBondContact O-N 3.26Å; I15-H17 PolarHBondContact O-CD2 3.28Å; I15-H17 VanDerWaalsContact O-CD2 3.25Å; I15-H17 PolarHBondContact O-N 2.94Å
16	N	45.6	Very low	40.7	Very low	21 Å²	21	94.7 Å²	94.7	11%	0.112	52%	0.522	C	S	.	.			trans	-58.6	108.5	166.1	-66.7	-20.3	0	0	0	106.8	C14 L28 K247	C14-N16 PolarHBondContact O-N 3.49Å; N16-L28 HydrophobicContact CB-CB 4.4Å; N16-L28 HydrophobicContact CB-CD1 4.02Å; N16-L28 HydrophobicContact CB-CD2 4.29Å; N16-K247 PolarHBondContact O-NZ 3.29Å
17	H	51.2	Low	42.2	Very low	120 Å²	120	88.8 Å²	88.8	56%	0.556	49%	0.49	S	S	*	.			trans	-75.6	139.6	176.1	-74.3	-82	0	0	0	108.8	I15 K19 E29	I15-H17 PolarHBondContact O-CD2 3.28Å; I15-H17 VanDerWaalsContact O-CD2 3.25Å; I15-H17 PolarHBondContact O-N 2.94Å; H17-K19 PolarHBondContact O-N 2.88Å; H17-E29 PolarHBondContact O-N 3.22Å
18	I	54.9	Low	43.8	Very low	80 Å²	80	84.5 Å²	84.5	41%	0.41	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.3	166.7	-57.7	174.1	0	0	0	106.5	V26 L28 K247	I18-V26 HydrophobicContact CG2-CB 4.49Å; I18-V26 HydrophobicContact CG2-CG1 3.24Å; I18-L28 HydrophobicContact CB-CD2 4.39Å; I18-L28 HydrophobicContact CG1-CD2 3.7Å; I18-K247 HydrophobicContact CD1-CB 3.64Å; I18-K247 WeakPolarHBondContact CD1-O 3.35Å; I18-K247 HydrophobicContact CG1-CB 4Å; I18-K247 HydrophobicContact CG1-CD 4.41Å
19	K	58.3	Low	45	Very low	109 Å²	109	84 Å²	84	47%	0.474	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145	175.8	-165.7	-176.7	173.8	-180	0	109.4	H17 I27	H17-K19 PolarHBondContact O-N 2.88Å; K19-I27 PolarHBondContact N-O 2.87Å; K19-I27 PolarHBondContact O-N 3.42Å
20	L	50.8	Low	46.7	Very low	104 Å²	104	78.8 Å²	78.8	55%	0.545	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	120	161.7	-64.7	167.9	0	0	0	107.5	G24 E25 V26	L20-G24 VanDerWaalsContact CD2-O 3.25Å; L20-G24 WeakPolarHBondContact CD2-O 3.28Å; L20-E25 CarbonylContact C-O 3.53Å; L20-E25 VanDerWaalsContact CA-O 3.22Å; L20-E25 WeakPolarHBondContact CA-O 3.35Å; L20-V26 HydrophobicContact CD2-CG2 3.71Å
21	N	58.8	Low	48	Very low	43 Å²	43	74.4 Å²	74.4	23%	0.23	39%	0.394	C	S	.	.			trans	-65.5	175.7	170.9	74.7	5.6	0	0	0	110.5	K23 G24 E25 I27	N21-K23 PolarHBondContact O-N 3.5Å; N21-K23 PolarHBondContact OD1-N 3.32Å; N21-G24 PolarHBondContact O-N 2.94Å; N21-G24 PolarHBondContact OD1-N 2.84Å; N21-E25 PolarHBondContact N-O 2.93Å; N21-E25 PolarHBondContact ND2-OE2 2.86Å; N21-E25 VanDerWaalsContact OD1-CB 3.27Å; N21-E25 WeakPolarHBondContact OD1-CB 3.47Å; N21-E25 WeakPolarHBondContact OD1-CG 3.27Å; N21-E25 PolarHBondContact OD1-N 3.33Å; N21-I27 HydrophobicContact CB-CD1 4.13Å; N21-I27 WeakPolarHBondContact ND2-CD1 3.36Å
22	D	48.1	Very low	49.2	Very low	168 Å²	168	75.6 Å²	75.6	90%	0.898	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-9.7	-176	-55.4	-26.4	0	0	0	114.3
23	K	49.7	Very low	50.4	Low	106 Å²	106	75.5 Å²	75.5	46%	0.461	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	7.8	177.8	-64.1	-173.3	178.7	-177.7	0	114	N21 E25 K165 I435	N21-K23 PolarHBondContact O-N 3.5Å; N21-K23 PolarHBondContact OD1-N 3.32Å; K23-E25 HydrophobicContact CB-CG 4.34Å; K23-K165 WeakPolarHBondContact O-CE 3.5Å; K23-I435 HydrophobicContact CD-CD1 4.17Å; K23-I435 VanDerWaalsContact NZ-CD1 3.29Å
24	G	49.2	Very low	51.3	Low	34 Å²	34	73.7 Å²	73.7	35%	0.351	38%	0.376	S	S	.	.	S	Bend	trans	81.5	19.2	-179.2	0	0	0	0	0	114.2	L20 N21 I168	L20-G24 VanDerWaalsContact CD2-O 3.25Å; L20-G24 WeakPolarHBondContact CD2-O 3.28Å; N21-G24 PolarHBondContact O-N 2.94Å; N21-G24 PolarHBondContact OD1-N 2.84Å; G24-I168 WeakPolarHBondContact O-CD1 3.49Å
25	E	56.7	Low	52.5	Low	1 Å²	1	77.8 Å²	77.8	1%	0.005	39%	0.392	C	S	.	.			trans	-95.5	135	-176.4	-55	161.8	-174.1	0	0	110.8	L20 N21 K23 I27 V162 Y432 Y436	L20-E25 CarbonylContact C-O 3.53Å; L20-E25 VanDerWaalsContact CA-O 3.22Å; L20-E25 WeakPolarHBondContact CA-O 3.35Å; N21-E25 PolarHBondContact N-O 2.93Å; N21-E25 PolarHBondContact ND2-OE2 2.86Å; N21-E25 VanDerWaalsContact OD1-CB 3.27Å; N21-E25 WeakPolarHBondContact OD1-CB 3.47Å; N21-E25 WeakPolarHBondContact OD1-CG 3.27Å; N21-E25 PolarHBondContact OD1-N 3.33Å; K23-E25 HydrophobicContact CB-CG 4.34Å; E25-I27 PolarHBondContact O-N 3.42Å; E25-V162 HydrophobicContact CB-CG1 4.25Å; E25-Y432 WeakPolarHBondContact OE1-CE1 3.47Å; E25-Y436 PolarHBondContact OE2-OH 2.65Å
26	V	55.9	Low	53.6	Low	28 Å²	28	79.6 Å²	79.6	17%	0.17	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	108.9	179.7	-178.1	0	0	0	0	109.5	I18 L20 I163 I168 V248	I18-V26 HydrophobicContact CG2-CB 4.49Å; I18-V26 HydrophobicContact CG2-CG1 3.24Å; L20-V26 HydrophobicContact CD2-CG2 3.71Å; V26-I163 HydrophobicContact CB-CB 4.28Å; V26-I163 HydrophobicContact CB-CG1 4.21Å; V26-I168 HydrophobicContact CG2-CD1 4.37Å; V26-V248 HydrophobicContact CG1-CG1 4.43Å; V26-V248 HydrophobicContact CG1-CG2 4.11Å
27	I	60.3	Low	54.7	Low	23 Å²	23	81.4 Å²	81.4	12%	0.118	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.7	176	-56.2	-176.7	0	0	0	108.5	K19 N21 E25 E29 H160 V162	K19-I27 PolarHBondContact N-O 2.87Å; K19-I27 PolarHBondContact O-N 3.42Å; N21-I27 HydrophobicContact CB-CD1 4.13Å; N21-I27 WeakPolarHBondContact ND2-CD1 3.36Å; E25-I27 PolarHBondContact O-N 3.42Å; I27-E29 PolarHBondContact O-N 2.71Å; I27-H160 HydrophobicContact CG2-CB 4.36Å; I27-H160 VanDerWaalsContact CG2-ND1 3.26Å; I27-H160 WeakPolarHBondContact CG2-ND1 3.39Å; I27-V162 HydrophobicContact CD1-CG2 4.23Å; I27-V162 HydrophobicContact CG1-CG2 4.3Å
28	L	57.7	Low	56.1	Low	11 Å²	11	79 Å²	79	6%	0.058	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	125.2	166.7	-75.4	-169.1	0	0	0	110.7	N16 I18 R30 T243 K247	N16-L28 HydrophobicContact CB-CB 4.4Å; N16-L28 HydrophobicContact CB-CD1 4.02Å; N16-L28 HydrophobicContact CB-CD2 4.29Å; I18-L28 HydrophobicContact CB-CD2 4.39Å; I18-L28 HydrophobicContact CG1-CD2 3.7Å; L28-R30 PolarHBondContact O-N 3.37Å; L28-T243 WeakPolarHBondContact CD1-O 3.4Å; L28-T243 WeakPolarHBondContact CG-O 3.49Å; L28-K247 HydrophobicContact CD2-CD 3.97Å
29	E	53	Low	57.4	Low	87 Å²	87	81 Å²	81	41%	0.407	42%	0.422	S	S	.	.			trans	-61.4	109.4	168.5	-166.2	168.2	-143	0	0	108.5	H17 I27	H17-E29 PolarHBondContact O-N 3.22Å; I27-E29 PolarHBondContact O-N 2.71Å
30	R	60.3	Low	58.5	Low	36 Å²	36	85 Å²	85	14%	0.136	44%	0.435	C	S	.	.			trans	-73.1	150.7	174.3	-60.4	-68	-70	-164.8	7.6	108.2	L28 Q32 E151 A154 D155 A242	L28-R30 PolarHBondContact O-N 3.37Å; R30-Q32 PolarHBondContact O-N 2.83Å; R30-E151 PolarHBondContact NH2-O 3.25Å; R30-A154 VanDerWaalsContact CZ-O 3.3Å; R30-A154 VanDerWaalsContact NH1-CB 3.3Å; R30-A154 PolarHBondContact NH2-O 2.91Å; R30-D155 IonicContact CZ-OD1 2.68Å; R30-D155 IonicContact NE-OD1 2.79Å; R30-D155 PolarHBondContact NE-OD1 3.19Å; R30-D155 IonicContact NH2-OD1 2.69Å; R30-D155 PolarHBondContact NH2-OD1 2.59Å; R30-D155 IonicContact NH2-OD2 3.26Å; R30-A242 PolarHBondContact NH1-O 2.9Å
31	R	53.6	Low	60.1	Low	86 Å²	86	83.7 Å²	83.7	33%	0.325	43%	0.426	S	S	.	.			trans	-54.6	106.8	172.2	-85.6	-178.1	-86	157	6.4	109.2	C14 Q33 K148 E151	C14-R31 HydrophobicContact CB-CG 4.33Å; R31-Q33 PolarHBondContact O-N 3.28Å; R31-K148 VanDerWaalsContact NH2-CE 3.25Å; R31-E151 IonicContact CZ-OE2 3.73Å; R31-E151 IonicContact NH2-OE2 3.97Å; R31-E151 PolarHBondContact NH2-OE2 3.04Å
32	Q	50.5	Low	61.3	Low	176 Å²	176	84.8 Å²	84.8	82%	0.822	43%	0.432	S	S	*	.			trans	-58	115.7	162	-72.4	-168.9	-10.5	0	0	106.4	R30 S34	R30-Q32 PolarHBondContact O-N 2.83Å; Q32-S34 VanDerWaalsContact C-N 3.33Å; Q32-S34 PolarHBondContact O-N 3.47Å
33	Q	51.6	Low	63.2	Low	84 Å²	84	81.3 Å²	81.3	39%	0.393	41%	0.413	S	S	.	.			trans	-66.5	103.3	171.4	-71.2	-170.3	-0.4	0	0	106.3	R31 N35	R31-Q33 PolarHBondContact O-N 3.28Å; Q33-N35 PolarHBondContact O-N 2.94Å; Q33-N35 VanDerWaalsContact O-N 3.17Å
34	S	45.9	Very low	65.1	Low	59 Å²	59	81.5 Å²	81.5	41%	0.413	41%	0.414	S	S	.	.			trans	-51.2	125.7	172.8	177.1	0	0	0	0	109.2	Q32 T36 K37	Q32-S34 VanDerWaalsContact C-N 3.33Å; Q32-S34 PolarHBondContact O-N 3.47Å; S34-T36 PolarHBondContact O-N 3.05Å; S34-T36 PolarHBondContact OG-N 3.32Å; S34-T36 PolarHBondContact OG-OG1 2.84Å; S34-K37 PolarHBondContact O-N 3.48Å; S34-K37 VanDerWaalsContact O-N 3.14Å
35	N	56.3	Low	66.9	Low	171 Å²	171	80.7 Å²	80.7	91%	0.914	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-6.1	175.3	-78	-14.7	0	0	0	113	Q33	Q33-N35 PolarHBondContact O-N 2.94Å; Q33-N35 VanDerWaalsContact O-N 3.17Å
36	T	57.4	Low	68.5	Low	125 Å²	125	84.4 Å²	84.4	77%	0.767	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	3.4	176.7	60.4	0	0	0	0	114.4	S34	S34-T36 PolarHBondContact O-N 3.05Å; S34-T36 PolarHBondContact OG-N 3.32Å; S34-T36 PolarHBondContact OG-OG1 2.84Å
37	K	68.8	Low	70.2	Confident	59 Å²	59	89.1 Å²	89.1	26%	0.257	44%	0.437	S	S	.	.	S	Bend	trans	-69.7	138.9	176.9	-79.1	166.4	165.6	-178.7	0	111.3	S34 H41 L42	S34-K37 PolarHBondContact O-N 3.48Å; S34-K37 VanDerWaalsContact O-N 3.14Å; K37-H41 HydrophobicContact CB-CB 4.43Å; K37-H41 VanDerWaalsContact CD-CD2 3.47Å; K37-H41 WeakPolarHBondContact CD-CD2 3.43Å; K37-L42 HydrophobicContact CB-CD2 4.22Å; K37-L42 HydrophobicContact CB-CG 4.25Å; K37-L42 HydrophobicContact CD-CD2 4.48Å
38	S	80.2	Confident	71.8	Confident	69 Å²	69	91.7 Å²	91.7	48%	0.483	45%	0.448	S	S	.	.			trans	-61.2	150.9	174.5	70.4	0	0	0	0	111.1	Y40 H41 L42	S38-Y40 PolarHBondContact O-N 2.98Å; S38-H41 WeakPolarHBondContact O-CB 3.22Å; S38-H41 PolarHBondContact O-N 3.4Å; S38-H41 WeakPolarHBondContact OG-CB 3.49Å; S38-H41 PolarHBondContact OG-N 3.31Å; S38-L42 PolarHBondContact O-N 2.94Å; S38-L42 VanDerWaalsContact O-N 3.14Å
39	L	82.7	Confident	73.5	Confident	121 Å²	121	92 Å²	92	63%	0.634	45%	0.449	S	S	*	.	H	α-helix	trans	-52.6	-41.4	176	179.1	63.6	0	0	0	111.8	H41 L42 L43	L39-H41 VanDerWaalsContact C-N 3.32Å; L39-H41 PolarHBondContact O-N 3Å; L39-L42 PolarHBondContact O-N 3.26Å; L39-L43 HydrophobicContact CD1-CD1 4.37Å; L39-L43 HydrophobicContact CD1-CG 4.34Å; L39-L43 HydrophobicContact CG-CD1 4.04Å; L39-L43 HydrophobicContact CG-CG 4.43Å; L39-L43 WeakPolarHBondContact O-CG 3.38Å; L39-L43 PolarHBondContact O-N 3.4Å
40	Y	81.4	Confident	75.5	Confident	193 Å²	193	89.2 Å²	89.2	76%	0.757	44%	0.437	S	S	*	.	H	α-helix	trans	-59.8	-40.2	176.4	-68.3	-73.5	0	0	0	112.8	S38 F44	S38-Y40 PolarHBondContact O-N 2.98Å; Y40-F44 WeakPolarHBondContact O-CB 3.41Å; Y40-F44 PolarHBondContact O-N 2.9Å
41	H	83.6	Confident	77.1	Confident	77 Å²	77	90 Å²	90	36%	0.356	45%	0.445	S	S	.	.	H	α-helix	trans	-67.5	-37.5	178.1	-172.6	87.1	0	0	0	111.9	K37 S38 L39 I45	K37-H41 HydrophobicContact CB-CB 4.43Å; K37-H41 VanDerWaalsContact CD-CD2 3.47Å; K37-H41 WeakPolarHBondContact CD-CD2 3.43Å; S38-H41 WeakPolarHBondContact O-CB 3.22Å; S38-H41 PolarHBondContact O-N 3.4Å; S38-H41 WeakPolarHBondContact OG-CB 3.49Å; S38-H41 PolarHBondContact OG-N 3.31Å; L39-H41 VanDerWaalsContact C-N 3.32Å; L39-H41 PolarHBondContact O-N 3Å; H41-I45 WeakPolarHBondContact NE2-CD1 3.31Å; H41-I45 WeakPolarHBondContact O-CG1 3.31Å; H41-I45 PolarHBondContact O-N 3Å
42	L	84.4	Confident	79.1	Confident	67 Å²	67	86.1 Å²	86.1	35%	0.351	43%	0.431	S	S	.	.	H	α-helix	trans	-68.1	-47.2	175.8	-66.9	172.9	0	0	0	111.6	K37 S38 L39 F44 I45 E46	K37-L42 HydrophobicContact CB-CD2 4.22Å; K37-L42 HydrophobicContact CB-CG 4.25Å; K37-L42 HydrophobicContact CD-CD2 4.48Å; S38-L42 PolarHBondContact O-N 2.94Å; S38-L42 VanDerWaalsContact O-N 3.14Å; L39-L42 PolarHBondContact O-N 3.26Å; L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 PolarHBondContact O-N 2.87Å; L42-I45 PolarHBondContact O-N 3.5Å; L42-E46 PolarHBondContact O-N 2.98Å
43	L	87.5	Confident	81.3	Confident	94 Å²	94	77.8 Å²	77.8	49%	0.492	39%	0.392	S	S	.	.	H	α-helix	trans	-60.1	-40.5	175.5	-72	172.9	0	0	0	111.7	L39 E46 F47	L39-L43 HydrophobicContact CD1-CD1 4.37Å; L39-L43 HydrophobicContact CD1-CG 4.34Å; L39-L43 HydrophobicContact CG-CD1 4.04Å; L39-L43 HydrophobicContact CG-CG 4.43Å; L39-L43 WeakPolarHBondContact O-CG 3.38Å; L39-L43 PolarHBondContact O-N 3.4Å; L43-E46 PolarHBondContact O-N 3.46Å; L43-F47 WeakPolarHBondContact O-CB 3.18Å; L43-F47 PolarHBondContact O-N 3.41Å
44	F	89.7	Confident	83.3	Confident	111 Å²	111	78.7 Å²	78.7	49%	0.487	39%	0.393	S	S	.	.	H	α-helix	trans	-60.1	-50.5	174.5	179.1	-88.2	0	0	0	111.3	Y40 L42 E46 F47 F48	Y40-F44 WeakPolarHBondContact O-CB 3.41Å; Y40-F44 PolarHBondContact O-N 2.9Å; L42-F44 VanDerWaalsContact C-N 3.29Å; L42-F44 PolarHBondContact O-N 2.87Å; F44-E46 VanDerWaalsContact C-N 3.33Å; F44-E46 PolarHBondContact O-N 3.44Å; F44-F47 PolarHBondContact O-N 2.97Å; F44-F48 AromaticContact CD1-CD2 3.98Å; F44-F48 HydrophobicContact CD1-CD2 3.98Å; F44-F48 HydrophobicContact CD1-CE2 4.29Å; F44-F48 HydrophobicContact CD2-CD2 4.14Å; F44-F48 AromaticContact CD2-CE2 3.81Å; F44-F48 HydrophobicContact CD2-CE2 3.81Å; F44-F48 AromaticContact CE1-CD2 3.67Å; F44-F48 HydrophobicContact CE1-CD2 3.67Å; F44-F48 AromaticContact CE1-CE2 3.75Å; F44-F48 HydrophobicContact CE1-CE2 3.75Å; F44-F48 AromaticContact CE2-CD2 3.89Å; F44-F48 HydrophobicContact CE2-CD2 3.89Å; F44-F48 AromaticContact CE2-CE2 3.22Å; F44-F48 HydrophobicContact CE2-CE2 3.22Å; F44-F48 HydrophobicContact CE2-CZ 4.08Å; F44-F48 HydrophobicContact CG-CD2 4.2Å; F44-F48 HydrophobicContact CG-CE2 4.31Å; F44-F48 AromaticContact CZ-CD2 3.64Å; F44-F48 HydrophobicContact CZ-CD2 3.64Å; F44-F48 AromaticContact CZ-CE2 3.17Å; F44-F48 HydrophobicContact CZ-CE2 3.17Å; F44-F48 AromaticContact CZ-CZ 3.85Å; F44-F48 HydrophobicContact CZ-CZ 3.85Å; F44-F48 WeakPolarHBondContact O-CD2 3.36Å; F44-F48 PolarHBondContact O-N 3.41Å; F44-F48 VanDerWaalsContact O-N 3.08Å
45	I	88.1	Confident	85.7	Confident	16 Å²	16	79.6 Å²	79.6	8%	0.082	39%	0.392	C	S	.	.	H	α-helix	trans	-58.7	-47.4	177	-71	170.6	0	0	0	110.5	H41 L42 F47 F48 Q49	H41-I45 WeakPolarHBondContact NE2-CD1 3.31Å; H41-I45 WeakPolarHBondContact O-CG1 3.31Å; H41-I45 PolarHBondContact O-N 3Å; L42-I45 PolarHBondContact O-N 3.5Å; I45-F47 VanDerWaalsContact C-N 3.3Å; I45-F47 PolarHBondContact O-N 3.24Å; I45-F48 PolarHBondContact O-N 3.28Å; I45-Q49 HydrophobicContact CG2-CG 4.01Å; I45-Q49 WeakPolarHBondContact O-CB 3.44Å; I45-Q49 VanDerWaalsContact O-CG 3.3Å; I45-Q49 WeakPolarHBondContact O-CG 3.36Å; I45-Q49 PolarHBondContact O-N 3.32Å
46	E	88.9	Confident	87.5	Confident	80 Å²	80	71.8 Å²	71.8	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-61.5	-41.3	-177.5	-162	-171.8	169.6	0	0	111.7	L42 L43 F44 Q49 N50 R390	L42-E46 PolarHBondContact O-N 2.98Å; L43-E46 PolarHBondContact O-N 3.46Å; F44-E46 VanDerWaalsContact C-N 3.33Å; F44-E46 PolarHBondContact O-N 3.44Å; E46-Q49 PolarHBondContact O-N 3.2Å; E46-N50 WeakPolarHBondContact O-CB 3.35Å; E46-N50 PolarHBondContact O-N 3.1Å; E46-N50 PolarHBondContact O-ND2 3.47Å; E46-R390 IonicContact OE1-CZ 3.96Å; E46-R390 IonicContact OE1-NH1 3.55Å; E46-R390 PolarHBondContact OE1-NH1 2.87Å; E46-R390 IonicContact OE1-NH2 2.79Å; E46-R390 PolarHBondContact OE1-NH2 3.05Å
47	F	93.2	Very high	89.3	Confident	126 Å²	126	66.1 Å²	66.1	55%	0.553	32%	0.315	S	S	*	.	H	α-helix	trans	-58.9	-48.1	174.9	175	-96.2	0	0	0	112	L43 F44 I45 N50 T51	L43-F47 WeakPolarHBondContact O-CB 3.18Å; L43-F47 PolarHBondContact O-N 3.41Å; F44-F47 PolarHBondContact O-N 2.97Å; I45-F47 VanDerWaalsContact C-N 3.3Å; I45-F47 PolarHBondContact O-N 3.24Å; F47-N50 PolarHBondContact O-N 3.31Å; F47-T51 VanDerWaalsContact O-CB 3.31Å; F47-T51 WeakPolarHBondContact O-CB 3.21Å; F47-T51 PolarHBondContact O-N 3.41Å; F47-T51 PolarHBondContact O-OG1 2.87Å
48	F	93.2	Very high	90.5	Very high	78 Å²	78	65.6 Å²	65.6	34%	0.342	31%	0.314	S	S	.	.	H	α-helix	trans	-67.1	-38.7	179.2	-87.9	-87.8	0	0	0	112.5	F44 I45 T52 F152	F44-F48 AromaticContact CD1-CD2 3.98Å; F44-F48 HydrophobicContact CD1-CD2 3.98Å; F44-F48 HydrophobicContact CD1-CE2 4.29Å; F44-F48 HydrophobicContact CD2-CD2 4.14Å; F44-F48 AromaticContact CD2-CE2 3.81Å; F44-F48 HydrophobicContact CD2-CE2 3.81Å; F44-F48 AromaticContact CE1-CD2 3.67Å; F44-F48 HydrophobicContact CE1-CD2 3.67Å; F44-F48 AromaticContact CE1-CE2 3.75Å; F44-F48 HydrophobicContact CE1-CE2 3.75Å; F44-F48 AromaticContact CE2-CD2 3.89Å; F44-F48 HydrophobicContact CE2-CD2 3.89Å; F44-F48 AromaticContact CE2-CE2 3.22Å; F44-F48 HydrophobicContact CE2-CE2 3.22Å; F44-F48 HydrophobicContact CE2-CZ 4.08Å; F44-F48 HydrophobicContact CG-CD2 4.2Å; F44-F48 HydrophobicContact CG-CE2 4.31Å; F44-F48 AromaticContact CZ-CD2 3.64Å; F44-F48 HydrophobicContact CZ-CD2 3.64Å; F44-F48 AromaticContact CZ-CE2 3.17Å; F44-F48 HydrophobicContact CZ-CE2 3.17Å; F44-F48 AromaticContact CZ-CZ 3.85Å; F44-F48 HydrophobicContact CZ-CZ 3.85Å; F44-F48 WeakPolarHBondContact O-CD2 3.36Å; F44-F48 PolarHBondContact O-N 3.41Å; F44-F48 VanDerWaalsContact O-N 3.08Å; I45-F48 PolarHBondContact O-N 3.28Å; F48-T52 WeakPolarHBondContact O-CB 3.26Å; F48-T52 PolarHBondContact O-N 3.48Å; F48-T52 PolarHBondContact O-OG1 3.31Å; F48-F152 HydrophobicContact CB-CD1 4.32Å; F48-F152 HydrophobicContact CB-CD2 4.41Å; F48-F152 HydrophobicContact CB-CE1 4.15Å; F48-F152 HydrophobicContact CB-CE2 4.26Å; F48-F152 HydrophobicContact CB-CG 4.45Å; F48-F152 HydrophobicContact CB-CZ 4.13Å; F48-F152 HydrophobicContact CD1-CE2 4.43Å; F48-F152 HydrophobicContact CG-CZ 4.5Å
49	Q	93.6	Very high	91.1	Very high	18 Å²	18	63.5 Å²	63.5	8%	0.084	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-49.2	174.7	-71.7	-179.2	-15.5	0	0	111.7	I45 E46 T51 T52 V53 F152 Y156	I45-Q49 HydrophobicContact CG2-CG 4.01Å; I45-Q49 WeakPolarHBondContact O-CB 3.44Å; I45-Q49 VanDerWaalsContact O-CG 3.3Å; I45-Q49 WeakPolarHBondContact O-CG 3.36Å; I45-Q49 PolarHBondContact O-N 3.32Å; E46-Q49 PolarHBondContact O-N 3.2Å; Q49-T51 PolarHBondContact O-N 3.45Å; Q49-T52 PolarHBondContact O-N 2.87Å; Q49-V53 WeakPolarHBondContact O-CG2 3.2Å; Q49-V53 PolarHBondContact O-N 2.79Å; Q49-F152 HydrophobicContact CG-CB 4.16Å; Q49-F152 HydrophobicContact CG-CD1 4.03Å; Q49-Y156 HydrophobicContact CB-CD2 3.93Å
50	N	93.9	Very high	91.5	Very high	28 Å²	28	59.4 Å²	59.4	15%	0.15	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-48.7	176.2	-82.2	-39.3	0	0	0	111.3	E46 F47 T52 V53 Y54 Y156 F387 R390	E46-N50 WeakPolarHBondContact O-CB 3.35Å; E46-N50 PolarHBondContact O-N 3.1Å; E46-N50 PolarHBondContact O-ND2 3.47Å; F47-N50 PolarHBondContact O-N 3.31Å; N50-T52 VanDerWaalsContact C-N 3.33Å; N50-T52 PolarHBondContact O-N 2.87Å; N50-V53 PolarHBondContact O-N 2.93Å; N50-Y54 WeakPolarHBondContact O-CB 3.49Å; N50-Y54 PolarHBondContact O-N 3.5Å; N50-Y156 WeakPolarHBondContact OD1-CE2 3.35Å; N50-F387 HydrophobicContact CB-CD1 4.27Å; N50-F387 HydrophobicContact CB-CE1 3.79Å; N50-F387 HydrophobicContact CB-CZ 4.26Å; N50-F387 WeakPolarHBondContact O-CE1 3.38Å; N50-R390 PolarHBondContact ND2-NH2 3.08Å; N50-R390 PolarHBondContact OD1-NH2 2.82Å
51	T	94.9	Very high	91.8	Very high	51 Å²	51	53.2 Å²	53.2	31%	0.313	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-44.1	179.4	-58.4	0	0	0	0	111.3	F47 Q49 Y54 I55	F47-T51 VanDerWaalsContact O-CB 3.31Å; F47-T51 WeakPolarHBondContact O-CB 3.21Å; F47-T51 PolarHBondContact O-N 3.41Å; F47-T51 PolarHBondContact O-OG1 2.87Å; Q49-T51 PolarHBondContact O-N 3.45Å; T51-Y54 PolarHBondContact O-N 3.48Å; T51-I55 HydrophobicContact CG2-CD1 3.97Å; T51-I55 VanDerWaalsContact O-CG1 3.3Å; T51-I55 WeakPolarHBondContact O-CG1 3.47Å; T51-I55 PolarHBondContact O-N 2.9Å
52	T	95.4	Very high	92.3	Very high	6 Å²	6	55 Å²	55	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-47.7	178	-65.4	0	0	0	0	112	F48 Q49 N50 Y54 I55 Y56 I149 F152 L153	F48-T52 WeakPolarHBondContact O-CB 3.26Å; F48-T52 PolarHBondContact O-N 3.48Å; F48-T52 PolarHBondContact O-OG1 3.31Å; Q49-T52 PolarHBondContact O-N 2.87Å; N50-T52 VanDerWaalsContact C-N 3.33Å; N50-T52 PolarHBondContact O-N 2.87Å; T52-Y54 VanDerWaalsContact C-N 3.32Å; T52-Y54 PolarHBondContact O-N 3.29Å; T52-I55 PolarHBondContact O-N 3.42Å; T52-Y56 WeakPolarHBondContact O-CB 3.27Å; T52-Y56 PolarHBondContact O-N 3.27Å; T52-I149 HydrophobicContact CG2-CD1 4.12Å; T52-I149 HydrophobicContact CG2-CG1 3.37Å; T52-I149 WeakPolarHBondContact CG2-O 3.38Å; T52-F152 HydrophobicContact CG2-CB 4.37Å; T52-L153 HydrophobicContact CG2-CB 3.88Å
53	V	95.8	Very high	92.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.9	-40.7	-179.9	175.2	0	0	0	0	110.6	Q49 N50 Y56 V57 L153 Y156 F157 P388	Q49-V53 WeakPolarHBondContact O-CG2 3.2Å; Q49-V53 PolarHBondContact O-N 2.79Å; N50-V53 PolarHBondContact O-N 2.93Å; V53-Y56 WeakPolarHBondContact O-CB 3.28Å; V53-Y56 PolarHBondContact O-N 2.88Å; V53-V57 HydrophobicContact CG1-CG2 4.32Å; V53-V57 WeakPolarHBondContact O-CG2 3.37Å; V53-V57 PolarHBondContact O-N 3.42Å; V53-L153 HydrophobicContact CB-CD1 4.16Å; V53-L153 HydrophobicContact CG2-CD1 3.44Å; V53-L153 VanDerWaalsContact CG2-CD1 3.44Å; V53-Y156 HydrophobicContact CB-CD1 4.48Å; V53-Y156 HydrophobicContact CB-CE1 4.43Å; V53-Y156 HydrophobicContact CB-CE2 4.44Å; V53-Y156 HydrophobicContact CG1-CD1 4.36Å; V53-Y156 HydrophobicContact CG1-CE1 4.01Å; V53-Y156 HydrophobicContact CG2-CD1 3.48Å; V53-Y156 VanDerWaalsContact CG2-CD1 3.48Å; V53-Y156 HydrophobicContact CG2-CD2 3.66Å; V53-Y156 HydrophobicContact CG2-CE1 3.89Å; V53-Y156 HydrophobicContact CG2-CE2 3.96Å; V53-Y156 HydrophobicContact CG2-CG 3.34Å; V53-F157 HydrophobicContact CG1-CE2 4.03Å; V53-F157 HydrophobicContact CG1-CZ 3.96Å; V53-F157 HydrophobicContact CG2-CE2 4.14Å; V53-P388 HydrophobicContact CG1-CG 3.63Å
54	Y	95.1	Very high	93	Very high	103 Å²	103	49.5 Å²	49.5	40%	0.404	24%	0.24	S	C	.	.	H	α-helix	trans	-58.6	-49.6	173.7	-179.9	-96.4	0	0	0	111.4	N50 T51 T52 Y56 V57 M58 P386	N50-Y54 WeakPolarHBondContact O-CB 3.49Å; N50-Y54 PolarHBondContact O-N 3.5Å; T51-Y54 PolarHBondContact O-N 3.48Å; T52-Y54 VanDerWaalsContact C-N 3.32Å; T52-Y54 PolarHBondContact O-N 3.29Å; Y54-Y56 VanDerWaalsContact C-N 3.31Å; Y54-Y56 PolarHBondContact O-N 2.97Å; Y54-V57 PolarHBondContact O-N 3.01Å; Y54-M58 HydrophobicContact CD1-CG 4.02Å; Y54-M58 HydrophobicContact CD2-CE 4.15Å; Y54-M58 HydrophobicContact CD2-CG 4.2Å; Y54-M58 HydrophobicContact CE1-CG 3.66Å; Y54-M58 HydrophobicContact CE2-CE 3.68Å; Y54-M58 HydrophobicContact CE2-CG 3.86Å; Y54-M58 HydrophobicContact CE2-SD 4.11Å; Y54-M58 HydrophobicContact CG-CG 4.27Å; Y54-M58 WeakPolarHBondContact O-CB 3.36Å; Y54-M58 WeakPolarHBondContact O-CG 3.34Å; Y54-M58 PolarHBondContact O-N 3.33Å; Y54-P386 HydrophobicContact CD2-CB 3.93Å; Y54-P386 HydrophobicContact CE2-CB 3.89Å
55	I	95.3	Very high	93.2	Very high	79 Å²	79	49.9 Å²	49.9	41%	0.405	25%	0.246	S	C	.	.	H	α-helix	trans	-58.1	-44.2	176.4	-69.3	167.2	0	0	0	110.8	T51 T52 T59	T51-I55 HydrophobicContact CG2-CD1 3.97Å; T51-I55 VanDerWaalsContact O-CG1 3.3Å; T51-I55 WeakPolarHBondContact O-CG1 3.47Å; T51-I55 PolarHBondContact O-N 2.9Å; T52-I55 PolarHBondContact O-N 3.42Å; I55-T59 WeakPolarHBondContact O-CB 3.36Å; I55-T59 PolarHBondContact O-N 3.24Å; I55-T59 PolarHBondContact O-OG1 3.26Å
56	Y	95.3	Very high	93.5	Very high	6 Å²	6	55.1 Å²	55.1	2%	0.024	27%	0.268	C	S	.	.	H	α-helix	trans	-58.8	-54.2	177.4	167.2	-101.7	0	0	0	111.7	T52 V53 Y54 M58 T59 F60 L153 L230 T232 F235	T52-Y56 WeakPolarHBondContact O-CB 3.27Å; T52-Y56 PolarHBondContact O-N 3.27Å; V53-Y56 WeakPolarHBondContact O-CB 3.28Å; V53-Y56 PolarHBondContact O-N 2.88Å; Y54-Y56 VanDerWaalsContact C-N 3.31Å; Y54-Y56 PolarHBondContact O-N 2.97Å; Y56-M58 PolarHBondContact O-N 3.36Å; Y56-T59 PolarHBondContact O-N 2.88Å; Y56-F60 AromaticContact CD2-CD2 3.7Å; Y56-F60 HydrophobicContact CD2-CD2 3.7Å; Y56-F60 AromaticContact CD2-CE2 3.59Å; Y56-F60 HydrophobicContact CD2-CE2 3.59Å; Y56-F60 AromaticContact CE2-CD2 3.43Å; Y56-F60 HydrophobicContact CE2-CD2 3.43Å; Y56-F60 VanDerWaalsContact CE2-CD2 3.43Å; Y56-F60 AromaticContact CE2-CE2 3.19Å; Y56-F60 HydrophobicContact CE2-CE2 3.19Å; Y56-F60 HydrophobicContact CE2-CZ 4.15Å; Y56-F60 HydrophobicContact CG-CD2 4.47Å; Y56-F60 AromaticContact CZ-CD2 3.99Å; Y56-F60 WeakPolarHBondContact O-CD2 3.39Å; Y56-F60 PolarHBondContact O-N 3.39Å; Y56-F60 VanDerWaalsContact O-N 3.13Å; Y56-L153 HydrophobicContact CD1-CD1 4.29Å; Y56-L153 HydrophobicContact CD1-CD2 4.18Å; Y56-L153 HydrophobicContact CD2-CD2 3.69Å; Y56-L153 HydrophobicContact CE2-CD2 4.24Å; Y56-L153 HydrophobicContact CG-CD1 4.35Å; Y56-L153 HydrophobicContact CG-CD2 3.66Å; Y56-L230 HydrophobicContact CE1-CB 4.46Å; Y56-L230 HydrophobicContact CE1-CD1 4.06Å; Y56-L230 PolarHBondContact OH-O 3.41Å; Y56-T232 HydrophobicContact CE1-CG2 3.94Å; Y56-T232 WeakPolarHBondContact OH-CA 3.45Å; Y56-F235 HydrophobicContact CD2-CD1 4.06Å; Y56-F235 AromaticContact CD2-CE1 3.97Å; Y56-F235 HydrophobicContact CD2-CE1 3.97Å; Y56-F235 HydrophobicContact CE2-CB 4.45Å; Y56-F235 AromaticContact CE2-CD1 3.46Å; Y56-F235 HydrophobicContact CE2-CD1 3.46Å; Y56-F235 VanDerWaalsContact CE2-CD1 3.46Å; Y56-F235 AromaticContact CE2-CE1 3.83Å; Y56-F235 HydrophobicContact CE2-CE1 3.83Å; Y56-F235 AromaticContact CE2-CG 3.97Å; Y56-F235 HydrophobicContact CE2-CG 3.97Å
57	V	94.2	Very high	93.9	Very high	6 Å²	6	52 Å²	52	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-60.1	-48.4	-179.9	174.2	0	0	0	0	110.7	V53 Y54 T59 F60 L61 L230 Y352 P388	V53-V57 HydrophobicContact CG1-CG2 4.32Å; V53-V57 WeakPolarHBondContact O-CG2 3.37Å; V53-V57 PolarHBondContact O-N 3.42Å; Y54-V57 PolarHBondContact O-N 3.01Å; V57-T59 VanDerWaalsContact C-N 3.28Å; V57-T59 PolarHBondContact O-N 3.33Å; V57-F60 PolarHBondContact O-N 2.92Å; V57-L61 HydrophobicContact CG1-CD1 3.65Å; V57-L61 HydrophobicContact CG1-CG 4.35Å; V57-L61 WeakPolarHBondContact O-CB 3.05Å; V57-L61 VanDerWaalsContact O-CG 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.19Å; V57-L230 HydrophobicContact CB-CD1 4.48Å; V57-L230 HydrophobicContact CG1-CD1 4.37Å; V57-L230 HydrophobicContact CG2-CD1 4.09Å; V57-Y352 WeakPolarHBondContact CG2-OH 3.3Å; V57-P388 HydrophobicContact CG2-CG 3.91Å
58	M	94.2	Very high	93.9	Very high	48 Å²	48	48.6 Å²	48.6	24%	0.236	24%	0.242	C	C	.	.	H	α-helix	trans	-62.7	-35.7	179	-66.2	-62	128.1	0	0	112.3	Y54 Y56 L61 F62	Y54-M58 HydrophobicContact CD1-CG 4.02Å; Y54-M58 HydrophobicContact CD2-CE 4.15Å; Y54-M58 HydrophobicContact CD2-CG 4.2Å; Y54-M58 HydrophobicContact CE1-CG 3.66Å; Y54-M58 HydrophobicContact CE2-CE 3.68Å; Y54-M58 HydrophobicContact CE2-CG 3.86Å; Y54-M58 HydrophobicContact CE2-SD 4.11Å; Y54-M58 HydrophobicContact CG-CG 4.27Å; Y54-M58 WeakPolarHBondContact O-CB 3.36Å; Y54-M58 WeakPolarHBondContact O-CG 3.34Å; Y54-M58 PolarHBondContact O-N 3.33Å; Y56-M58 PolarHBondContact O-N 3.36Å; M58-L61 PolarHBondContact O-N 2.95Å; M58-F62 HydrophobicContact CB-CD2 4.45Å; M58-F62 HydrophobicContact CE-CE2 4.22Å; M58-F62 WeakPolarHBondContact O-CB 3.32Å; M58-F62 PolarHBondContact O-N 2.91Å; M58-F62 HydrophobicContact SD-CD2 3.62Å; M58-F62 HydrophobicContact SD-CE2 3.51Å; M58-F62 VanDerWaalsContact SD-CE2 3.51Å
59	T	93.4	Very high	94.1	Very high	25 Å²	25	51.3 Å²	51.3	15%	0.153	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-47	179.2	-64.8	0	0	0	0	111.6	I55 Y56 V57 S63 Y268 F271	I55-T59 WeakPolarHBondContact O-CB 3.36Å; I55-T59 PolarHBondContact O-N 3.24Å; I55-T59 PolarHBondContact O-OG1 3.26Å; Y56-T59 PolarHBondContact O-N 2.88Å; V57-T59 VanDerWaalsContact C-N 3.28Å; V57-T59 PolarHBondContact O-N 3.33Å; T59-S63 WeakPolarHBondContact CA-OG 3.35Å; T59-S63 WeakPolarHBondContact O-CB 3.49Å; T59-S63 PolarHBondContact O-N 3.49Å; T59-S63 PolarHBondContact O-OG 2.89Å; T59-Y268 HydrophobicContact CG2-CE2 3.96Å; T59-F271 HydrophobicContact CG2-CD1 4.37Å; T59-F271 HydrophobicContact CG2-CE1 3.71Å; T59-F271 HydrophobicContact CG2-CZ 4.27Å
60	F	89.9	Confident	94	Very high	35 Å²	35	53 Å²	53	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-72.3	-29.3	179.5	-81.7	-85.5	0	0	0	113.2	Y56 V57 L230 F235 L272 M277	Y56-F60 AromaticContact CD2-CD2 3.7Å; Y56-F60 HydrophobicContact CD2-CD2 3.7Å; Y56-F60 AromaticContact CD2-CE2 3.59Å; Y56-F60 HydrophobicContact CD2-CE2 3.59Å; Y56-F60 AromaticContact CE2-CD2 3.43Å; Y56-F60 HydrophobicContact CE2-CD2 3.43Å; Y56-F60 VanDerWaalsContact CE2-CD2 3.43Å; Y56-F60 AromaticContact CE2-CE2 3.19Å; Y56-F60 HydrophobicContact CE2-CE2 3.19Å; Y56-F60 HydrophobicContact CE2-CZ 4.15Å; Y56-F60 HydrophobicContact CG-CD2 4.47Å; Y56-F60 AromaticContact CZ-CD2 3.99Å; Y56-F60 WeakPolarHBondContact O-CD2 3.39Å; Y56-F60 PolarHBondContact O-N 3.39Å; Y56-F60 VanDerWaalsContact O-N 3.13Å; V57-F60 PolarHBondContact O-N 2.92Å; F60-L230 HydrophobicContact CB-CD2 4.45Å; F60-F235 HydrophobicContact CE2-CD2 4.3Å; F60-F235 HydrophobicContact CE2-CE2 4.25Å; F60-F235 HydrophobicContact CE2-CZ 4.43Å; F60-F235 AromaticContact CZ-CD2 3.8Å; F60-F235 HydrophobicContact CZ-CD2 3.8Å; F60-F235 AromaticContact CZ-CE2 3.92Å; F60-F235 HydrophobicContact CZ-CE2 3.92Å; F60-F235 HydrophobicContact CZ-CG 4.33Å; F60-L272 HydrophobicContact CE1-CD2 4.12Å; F60-L272 HydrophobicContact CZ-CD2 4.4Å; F60-M277 HydrophobicContact CZ-CE 4.4Å
61	L	89.1	Confident	93.9	Very high	64 Å²	64	52.7 Å²	52.7	34%	0.335	26%	0.262	S	S	.	.	H	α-helix	trans	-82.9	-38.9	179.3	-66.5	177.6	0	0	0	113.8	V57 M58 L230 F381	V57-L61 HydrophobicContact CG1-CD1 3.65Å; V57-L61 HydrophobicContact CG1-CG 4.35Å; V57-L61 WeakPolarHBondContact O-CB 3.05Å; V57-L61 VanDerWaalsContact O-CG 3.29Å; V57-L61 WeakPolarHBondContact O-CG 3.32Å; V57-L61 PolarHBondContact O-N 3.19Å; M58-L61 PolarHBondContact O-N 2.95Å; L61-L230 HydrophobicContact CD2-CD2 4.35Å; L61-F381 HydrophobicContact CD1-CZ 4.06Å; L61-F381 HydrophobicContact CD2-CE1 4.42Å; L61-F381 HydrophobicContact CD2-CZ 4.18Å
62	F	92.5	Very high	93.9	Very high	114 Å²	114	56.8 Å²	56.8	50%	0.5	28%	0.275	S	S	.	.	H	α-helix	trans	-124.3	-21.9	-164.3	-57.1	-65.7	0	0	0	115.3	M58 G64 I65 F66	M58-F62 HydrophobicContact CB-CD2 4.45Å; M58-F62 HydrophobicContact CE-CE2 4.22Å; M58-F62 WeakPolarHBondContact O-CB 3.32Å; M58-F62 PolarHBondContact O-N 2.91Å; M58-F62 HydrophobicContact SD-CD2 3.62Å; M58-F62 HydrophobicContact SD-CE2 3.51Å; M58-F62 VanDerWaalsContact SD-CE2 3.51Å; F62-G64 VanDerWaalsContact C-N 3.27Å; F62-G64 PolarHBondContact O-N 3.44Å; F62-I65 PolarHBondContact O-N 2.92Å; F62-I65 VanDerWaalsContact O-N 3.16Å; F62-F66 WeakPolarHBondContact O-CB 3.28Å; F62-F66 PolarHBondContact O-N 3.2Å
63	S	94.5	Very high	93.8	Very high	28 Å²	28	61.3 Å²	61.3	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-32.4	-173.5	-70.5	0	0	0	0	113.5	T59 F66 C67	T59-S63 WeakPolarHBondContact CA-OG 3.35Å; T59-S63 WeakPolarHBondContact O-CB 3.49Å; T59-S63 PolarHBondContact O-N 3.49Å; T59-S63 PolarHBondContact O-OG 2.89Å; S63-F66 PolarHBondContact O-N 3.48Å; S63-C67 WeakPolarHBondContact O-CB 3.33Å; S63-C67 PolarHBondContact O-N 2.96Å; S63-C67 PolarHBondContact O-SG 3.46Å
64	G	92.7	Very high	93.5	Very high	17 Å²	17	62.6 Å²	62.6	18%	0.175	30%	0.302	C	S	.	.	H	α-helix	trans	-60.4	-50	174.6	0	0	0	0	0	112.2	F62 C67 L68 A265	F62-G64 VanDerWaalsContact C-N 3.27Å; F62-G64 PolarHBondContact O-N 3.44Å; G64-C67 PolarHBondContact O-N 2.92Å; G64-L68 WeakPolarHBondContact O-CG 3.31Å; G64-L68 PolarHBondContact O-N 3.47Å; G64-L68 VanDerWaalsContact O-N 3.12Å; G64-A265 WeakPolarHBondContact O-CB 3.43Å
65	I	93	Very high	93.3	Very high	120 Å²	120	60.9 Å²	60.9	62%	0.615	30%	0.298	S	S	*	.	H	α-helix	trans	-66.5	-42.2	178.4	-62.7	170.7	0	0	0	110.5	F62 C67 L68 F69	F62-I65 PolarHBondContact O-N 2.92Å; F62-I65 VanDerWaalsContact O-N 3.16Å; I65-C67 VanDerWaalsContact C-N 3.34Å; I65-C67 PolarHBondContact O-N 3.21Å; I65-L68 WeakPolarHBondContact O-CB 3.2Å; I65-L68 PolarHBondContact O-N 2.96Å; I65-F69 PolarHBondContact O-N 3.42Å
66	F	96	Very high	93.1	Very high	125 Å²	125	63.4 Å²	63.4	55%	0.548	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-43.2	178	-179.4	-110.5	0	0	0	112.1	F62 S63 L68 F69 I70	F62-F66 WeakPolarHBondContact O-CB 3.28Å; F62-F66 PolarHBondContact O-N 3.2Å; S63-F66 PolarHBondContact O-N 3.48Å; F66-L68 VanDerWaalsContact C-N 3.35Å; F66-L68 PolarHBondContact O-N 3.23Å; F66-F69 WeakPolarHBondContact O-CB 3.49Å; F66-F69 PolarHBondContact O-N 3.12Å; F66-I70 HydrophobicContact CD1-CD1 3.83Å; F66-I70 HydrophobicContact CE1-CD1 3.38Å; F66-I70 HydrophobicContact CE1-CG1 4.32Å; F66-I70 HydrophobicContact CE2-CD1 4.49Å; F66-I70 HydrophobicContact CZ-CD1 3.75Å; F66-I70 HydrophobicContact CZ-CG1 4.32Å; F66-I70 WeakPolarHBondContact O-CG1 3.49Å; F66-I70 PolarHBondContact O-N 2.74Å
67	C	96.2	Very high	92.7	Very high	14 Å²	14	65.2 Å²	65.2	10%	0.095	31%	0.314	C	S	.	.	H	α-helix	trans	-68.6	-33.3	177.3	-66.9	0	0	0	0	112.7	S63 G64 I65 I70 L71 A265 P266 F267	S63-C67 WeakPolarHBondContact O-CB 3.33Å; S63-C67 PolarHBondContact O-N 2.96Å; S63-C67 PolarHBondContact O-SG 3.46Å; G64-C67 PolarHBondContact O-N 2.92Å; I65-C67 VanDerWaalsContact C-N 3.34Å; I65-C67 PolarHBondContact O-N 3.21Å; C67-I70 PolarHBondContact O-N 3.45Å; C67-L71 WeakPolarHBondContact O-CB 3.48Å; C67-L71 PolarHBondContact O-N 3.27Å; C67-A265 HydrophobicContact CB-CB 4.3Å; C67-P266 WeakPolarHBondContact CB-O 3.3Å; C67-F267 HydrophobicContact CB-CD2 4.36Å
68	L	94.4	Very high	92.3	Very high	55 Å²	55	67 Å²	67	29%	0.288	32%	0.323	S	S	.	.	H	α-helix	trans	-65	-39.9	170.6	-70.7	170.9	0	0	0	111.6	G64 I65 F66 L71 F72 A265	G64-L68 WeakPolarHBondContact O-CG 3.31Å; G64-L68 PolarHBondContact O-N 3.47Å; G64-L68 VanDerWaalsContact O-N 3.12Å; I65-L68 WeakPolarHBondContact O-CB 3.2Å; I65-L68 PolarHBondContact O-N 2.96Å; F66-L68 VanDerWaalsContact C-N 3.35Å; F66-L68 PolarHBondContact O-N 3.23Å; L68-L71 WeakPolarHBondContact O-CB 3.31Å; L68-L71 PolarHBondContact O-N 2.95Å; L68-F72 HydrophobicContact CB-CE2 4.48Å; L68-F72 WeakPolarHBondContact O-CD2 3.38Å; L68-F72 PolarHBondContact O-N 3.41Å; L68-A265 HydrophobicContact CD1-CB 4.46Å; L68-A265 HydrophobicContact CD2-CB 4.26Å; L68-A265 HydrophobicContact CG-CB 3.9Å
69	F	96	Very high	91.9	Very high	136 Å²	136	69 Å²	69	60%	0.596	33%	0.334	S	S	*	.	H	α-helix	trans	-62.4	-43.9	174.5	-179	-96.7	0	0	0	111.9	I65 F66 L71 F72 F73	I65-F69 PolarHBondContact O-N 3.42Å; F66-F69 WeakPolarHBondContact O-CB 3.49Å; F66-F69 PolarHBondContact O-N 3.12Å; F69-L71 VanDerWaalsContact C-N 3.3Å; F69-L71 PolarHBondContact O-N 3.28Å; F69-F72 PolarHBondContact O-N 2.91Å; F69-F73 WeakPolarHBondContact O-CB 3.5Å; F69-F73 PolarHBondContact O-N 3.28Å
70	I	92.3	Very high	91.5	Very high	53 Å²	53	70.6 Å²	70.6	27%	0.272	34%	0.341	S	S	.	.	H	α-helix	trans	-57.5	-45.5	173.1	-70.2	170.2	0	0	0	110.5	F66 C67 F72 F73 L74 F267	F66-I70 HydrophobicContact CD1-CD1 3.83Å; F66-I70 HydrophobicContact CE1-CD1 3.38Å; F66-I70 HydrophobicContact CE1-CG1 4.32Å; F66-I70 HydrophobicContact CE2-CD1 4.49Å; F66-I70 HydrophobicContact CZ-CD1 3.75Å; F66-I70 HydrophobicContact CZ-CG1 4.32Å; F66-I70 WeakPolarHBondContact O-CG1 3.49Å; F66-I70 PolarHBondContact O-N 2.74Å; C67-I70 PolarHBondContact O-N 3.45Å; I70-F72 PolarHBondContact O-N 2.91Å; I70-F73 PolarHBondContact O-N 3.39Å; I70-L74 HydrophobicContact CG2-CD1 3.83Å; I70-L74 HydrophobicContact CG2-CG 4.28Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 2.95Å; I70-F267 HydrophobicContact CG2-CE2 4.16Å
71	L	92.2	Very high	91.1	Very high	21 Å²	21	71 Å²	71	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-57.3	-50.2	177.6	179.3	68.3	0	0	0	111.5	C67 L68 F69 F73 L74 I75 F120 W127 P266	C67-L71 WeakPolarHBondContact O-CB 3.48Å; C67-L71 PolarHBondContact O-N 3.27Å; L68-L71 WeakPolarHBondContact O-CB 3.31Å; L68-L71 PolarHBondContact O-N 2.95Å; F69-L71 VanDerWaalsContact C-N 3.3Å; F69-L71 PolarHBondContact O-N 3.28Å; L71-F73 VanDerWaalsContact C-N 3.33Å; L71-F73 PolarHBondContact O-N 3.18Å; L71-L74 PolarHBondContact O-N 3.42Å; L71-I75 HydrophobicContact CD1-CD1 4.25Å; L71-I75 HydrophobicContact CG-CD1 4.06Å; L71-I75 WeakPolarHBondContact O-CG1 3.41Å; L71-I75 PolarHBondContact O-N 2.82Å; L71-F120 HydrophobicContact CD1-CE2 3.56Å; L71-F120 HydrophobicContact CD1-CZ 3.51Å; L71-W127 HydrophobicContact CD2-CH2 4.39Å; L71-W127 HydrophobicContact CD2-CZ3 4.46Å; L71-P266 HydrophobicContact CB-CG 4.2Å; L71-P266 HydrophobicContact CD1-CG 4.2Å; L71-P266 HydrophobicContact CD2-CG 3.92Å; L71-P266 HydrophobicContact CG-CG 4.33Å
72	F	94.3	Very high	90.8	Very high	138 Å²	138	72.7 Å²	72.7	61%	0.605	35%	0.354	S	S	*	.	H	α-helix	trans	-63.6	-38.5	178.1	-73.4	-61	0	0	0	112.6	L68 F69 I70 I75 Y76	L68-F72 HydrophobicContact CB-CE2 4.48Å; L68-F72 WeakPolarHBondContact O-CD2 3.38Å; L68-F72 PolarHBondContact O-N 3.41Å; F69-F72 PolarHBondContact O-N 2.91Å; I70-F72 PolarHBondContact O-N 2.91Å; F72-I75 PolarHBondContact O-N 2.94Å; F72-Y76 WeakPolarHBondContact O-CB 3.38Å; F72-Y76 PolarHBondContact O-N 2.92Å
73	F	92.5	Very high	90.3	Very high	101 Å²	101	71.1 Å²	71.1	44%	0.443	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-42.2	176.5	179.9	-106.6	0	0	0	112	F69 I70 L71 Y76 L77	F69-F73 WeakPolarHBondContact O-CB 3.5Å; F69-F73 PolarHBondContact O-N 3.28Å; I70-F73 PolarHBondContact O-N 3.39Å; L71-F73 VanDerWaalsContact C-N 3.33Å; L71-F73 PolarHBondContact O-N 3.18Å; F73-Y76 WeakPolarHBondContact O-CB 3.4Å; F73-Y76 PolarHBondContact O-N 3.2Å; F73-L77 HydrophobicContact CD1-CD1 3.95Å; F73-L77 HydrophobicContact CD1-CG 4.38Å; F73-L77 HydrophobicContact CE1-CD1 3.41Å; F73-L77 VanDerWaalsContact CE1-CD1 3.41Å; F73-L77 HydrophobicContact CE1-CG 4Å; F73-L77 HydrophobicContact CE2-CD2 4.46Å; F73-L77 HydrophobicContact CE2-CG 4.38Å; F73-L77 HydrophobicContact CZ-CD1 3.8Å; F73-L77 HydrophobicContact CZ-CD2 4.11Å; F73-L77 HydrophobicContact CZ-CG 3.99Å; F73-L77 WeakPolarHBondContact O-CG 3.32Å; F73-L77 PolarHBondContact O-N 3.01Å
74	L	90.6	Very high	89.5	Confident	27 Å²	27	72.8 Å²	72.8	14%	0.141	36%	0.356	C	S	.	.	H	α-helix	trans	-65.6	-40.9	176.1	-70	173.4	0	0	0	111.9	I70 L71 L77 I78 I116 F120	I70-L74 HydrophobicContact CG2-CD1 3.83Å; I70-L74 HydrophobicContact CG2-CG 4.28Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 2.95Å; L71-L74 PolarHBondContact O-N 3.42Å; L74-L77 HydrophobicContact CD2-CD1 4.48Å; L74-L77 PolarHBondContact O-N 3.4Å; L74-I78 WeakPolarHBondContact O-CD1 3.34Å; L74-I78 WeakPolarHBondContact O-CG1 3.32Å; L74-I78 PolarHBondContact O-N 2.87Å; L74-I116 HydrophobicContact CD2-CG2 3.69Å; L74-F120 HydrophobicContact CB-CD2 4Å; L74-F120 HydrophobicContact CB-CE2 4Å; L74-F120 HydrophobicContact CB-CG 4.34Å; L74-F120 HydrophobicContact CB-CZ 4.35Å; L74-F120 HydrophobicContact CD1-CD2 3.45Å; L74-F120 VanDerWaalsContact CD1-CD2 3.45Å; L74-F120 HydrophobicContact CD1-CE2 3.84Å; L74-F120 HydrophobicContact CD1-CG 4.27Å; L74-F120 HydrophobicContact CG-CD2 4.33Å
75	I	90.7	Very high	88.8	Confident	66 Å²	66	78.5 Å²	78.5	34%	0.338	38%	0.376	S	S	.	.	H	α-helix	trans	-62.1	-44.8	173.7	-68.4	167.4	0	0	0	110.5	L71 F72 L77 I78 I79 F120	L71-I75 HydrophobicContact CD1-CD1 4.25Å; L71-I75 HydrophobicContact CG-CD1 4.06Å; L71-I75 WeakPolarHBondContact O-CG1 3.41Å; L71-I75 PolarHBondContact O-N 2.82Å; F72-I75 PolarHBondContact O-N 2.94Å; I75-L77 PolarHBondContact O-N 2.9Å; I75-I78 PolarHBondContact O-N 3.44Å; I75-I79 HydrophobicContact CG2-CD1 3.73Å; I75-I79 HydrophobicContact CG2-CG1 4.41Å; I75-I79 WeakPolarHBondContact O-CG1 3.38Å; I75-I79 PolarHBondContact O-N 3.22Å; I75-F120 HydrophobicContact CG1-CE1 4.3Å; I75-F120 HydrophobicContact CG1-CZ 4.11Å
76	Y	90.9	Very high	88.1	Confident	133 Å²	133	77.5 Å²	77.5	52%	0.522	37%	0.371	S	S	.	.	H	α-helix	trans	-58.8	-45.9	174.9	167.1	-97.7	0	0	0	111.7	F72 F73 I78 I79 N80	F72-Y76 WeakPolarHBondContact O-CB 3.38Å; F72-Y76 PolarHBondContact O-N 2.92Å; F73-Y76 WeakPolarHBondContact O-CB 3.4Å; F73-Y76 PolarHBondContact O-N 3.2Å; Y76-I78 VanDerWaalsContact C-N 3.31Å; Y76-I78 PolarHBondContact O-N 3.16Å; Y76-I79 PolarHBondContact O-N 3.48Å; Y76-N80 VanDerWaalsContact O-CB 3.26Å; Y76-N80 WeakPolarHBondContact O-CB 3.3Å; Y76-N80 PolarHBondContact O-N 2.97Å
77	L	86.2	Confident	87.2	Confident	43 Å²	43	77.1 Å²	77.1	23%	0.225	37%	0.371	C	S	.	.	H	α-helix	trans	-60.1	-41.4	176.5	-75.4	-179.9	0	0	0	111.9	F73 L74 I75 N81	F73-L77 HydrophobicContact CD1-CD1 3.95Å; F73-L77 HydrophobicContact CD1-CG 4.38Å; F73-L77 HydrophobicContact CE1-CD1 3.41Å; F73-L77 VanDerWaalsContact CE1-CD1 3.41Å; F73-L77 HydrophobicContact CE1-CG 4Å; F73-L77 HydrophobicContact CE2-CD2 4.46Å; F73-L77 HydrophobicContact CE2-CG 4.38Å; F73-L77 HydrophobicContact CZ-CD1 3.8Å; F73-L77 HydrophobicContact CZ-CD2 4.11Å; F73-L77 HydrophobicContact CZ-CG 3.99Å; F73-L77 WeakPolarHBondContact O-CG 3.32Å; F73-L77 PolarHBondContact O-N 3.01Å; L74-L77 HydrophobicContact CD2-CD1 4.48Å; L74-L77 PolarHBondContact O-N 3.4Å; I75-L77 PolarHBondContact O-N 2.9Å; L77-N81 WeakPolarHBondContact O-CB 3.31Å; L77-N81 PolarHBondContact O-N 3.32Å; L77-N81 PolarHBondContact O-ND2 3.44Å
78	I	85.8	Confident	86.1	Confident	45 Å²	45	79.9 Å²	79.9	23%	0.231	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-49.3	176.8	-71.6	160.8	0	0	0	110.7	L74 I75 Y76 N80 N81 L82 I117 F120	L74-I78 WeakPolarHBondContact O-CD1 3.34Å; L74-I78 WeakPolarHBondContact O-CG1 3.32Å; L74-I78 PolarHBondContact O-N 2.87Å; I75-I78 PolarHBondContact O-N 3.44Å; Y76-I78 VanDerWaalsContact C-N 3.31Å; Y76-I78 PolarHBondContact O-N 3.16Å; I78-N80 PolarHBondContact O-N 3.44Å; I78-N81 PolarHBondContact O-N 2.84Å; I78-L82 WeakPolarHBondContact O-CB 3.22Å; I78-L82 PolarHBondContact O-N 2.92Å; I78-I117 HydrophobicContact CG1-CB 4.44Å; I78-I117 HydrophobicContact CG1-CD1 4.24Å; I78-I117 HydrophobicContact CG1-CG1 3.75Å; I78-I117 HydrophobicContact CG1-CG2 4.17Å; I78-F120 HydrophobicContact CD1-CD1 3.31Å; I78-F120 HydrophobicContact CD1-CE1 3.68Å; I78-F120 HydrophobicContact CD1-CG 4.26Å
79	I	87.5	Confident	84.9	Confident	90 Å²	90	80.3 Å²	80.3	46%	0.462	39%	0.39	S	S	.	.	H	α-helix	trans	-62.2	-45.2	-179.8	-68.2	169	0	0	0	110.4	I75 Y76 L82 I83	I75-I79 HydrophobicContact CG2-CD1 3.73Å; I75-I79 HydrophobicContact CG2-CG1 4.41Å; I75-I79 WeakPolarHBondContact O-CG1 3.38Å; I75-I79 PolarHBondContact O-N 3.22Å; Y76-I79 PolarHBondContact O-N 3.48Å; I79-L82 PolarHBondContact O-N 3.1Å; I79-I83 HydrophobicContact CG2-CD1 3.88Å; I79-I83 VanDerWaalsContact O-CG1 3.31Å; I79-I83 WeakPolarHBondContact O-CG1 3.29Å; I79-I83 PolarHBondContact O-N 3.2Å
80	N	85.2	Confident	83.4	Confident	58 Å²	58	80.5 Å²	80.5	31%	0.31	39%	0.39	S	S	.	.	H	α-helix	trans	-63.5	-43.5	-180	-171.5	60	0	0	0	111.9	Y76 I78 L82 I83 I84	Y76-N80 VanDerWaalsContact O-CB 3.26Å; Y76-N80 WeakPolarHBondContact O-CB 3.3Å; Y76-N80 PolarHBondContact O-N 2.97Å; I78-N80 PolarHBondContact O-N 3.44Å; N80-L82 VanDerWaalsContact C-N 3.35Å; N80-I83 PolarHBondContact O-N 2.81Å; N80-I84 WeakPolarHBondContact O-CG1 3.43Å; N80-I84 PolarHBondContact O-N 3.16Å
81	N	81	Confident	82	Confident	43 Å²	43	83.8 Å²	83.8	23%	0.23	40%	0.404	C	S	.	.	H	α-helix	trans	-66.5	-36.5	175.5	-79.3	-63.8	0	0	0	112.3	L77 I78 I83 I84 F85 I117	L77-N81 WeakPolarHBondContact O-CB 3.31Å; L77-N81 PolarHBondContact O-N 3.32Å; L77-N81 PolarHBondContact O-ND2 3.44Å; I78-N81 PolarHBondContact O-N 2.84Å; N81-I83 VanDerWaalsContact C-N 3.34Å; N81-I84 PolarHBondContact O-N 2.75Å; N81-F85 VanDerWaalsContact O-CB 3.27Å; N81-F85 WeakPolarHBondContact O-CB 3.47Å; N81-F85 PolarHBondContact O-N 3.33Å; N81-I117 HydrophobicContact CB-CD1 4.42Å
82	L	82.3	Confident	80.5	Confident	100 Å²	100	86 Å²	86	52%	0.524	42%	0.419	S	S	.	.	H	α-helix	trans	-63.1	-41.7	174.5	-175.5	65.5	0	0	0	111.3	I78 I79 N80 F85 I86	I78-L82 WeakPolarHBondContact O-CB 3.22Å; I78-L82 PolarHBondContact O-N 2.92Å; I79-L82 PolarHBondContact O-N 3.1Å; N80-L82 VanDerWaalsContact C-N 3.35Å; L82-F85 PolarHBondContact O-N 3.47Å; L82-I86 HydrophobicContact CD1-CD1 4.37Å; L82-I86 HydrophobicContact CG-CD1 3.99Å; L82-I86 WeakPolarHBondContact O-CB 3.39Å; L82-I86 WeakPolarHBondContact O-CD1 3.33Å; L82-I86 WeakPolarHBondContact O-CG1 3.39Å; L82-I86 PolarHBondContact O-N 3.09Å
83	I	82.2	Confident	78.7	Confident	81 Å²	81	83.7 Å²	83.7	42%	0.415	42%	0.416	S	S	.	.	H	α-helix	trans	-63.3	-47.9	176	-68.8	165.7	0	0	0	110.8	I79 N80 N81 F85 I86 Q87	I79-I83 HydrophobicContact CG2-CD1 3.88Å; I79-I83 VanDerWaalsContact O-CG1 3.31Å; I79-I83 WeakPolarHBondContact O-CG1 3.29Å; I79-I83 PolarHBondContact O-N 3.2Å; N80-I83 PolarHBondContact O-N 2.81Å; N81-I83 VanDerWaalsContact C-N 3.34Å; I83-F85 VanDerWaalsContact C-N 3.31Å; I83-F85 PolarHBondContact O-N 2.69Å; I83-I86 PolarHBondContact O-N 3.33Å; I83-Q87 HydrophobicContact CG2-CG 4.4Å; I83-Q87 WeakPolarHBondContact O-CB 3.27Å; I83-Q87 WeakPolarHBondContact O-CG 3.46Å; I83-Q87 PolarHBondContact O-N 2.84Å
84	I	78.4	Confident	76.9	Confident	63 Å²	63	84.4 Å²	84.4	32%	0.323	42%	0.422	S	S	.	.	H	α-helix	trans	-60.2	-43.5	177.6	-68.3	166	0	0	0	110.5	N80 N81 I86 Q87 N88	N80-I84 WeakPolarHBondContact O-CG1 3.43Å; N80-I84 PolarHBondContact O-N 3.16Å; N81-I84 PolarHBondContact O-N 2.75Å; I84-I86 PolarHBondContact O-N 3.34Å; I84-Q87 PolarHBondContact O-N 3.44Å; I84-N88 WeakPolarHBondContact O-CB 3.46Å; I84-N88 VanDerWaalsContact O-CG 3.3Å; I84-N88 PolarHBondContact O-N 3.49Å
85	F	76.9	Confident	75.3	Confident	137 Å²	137	85.4 Å²	85.4	60%	0.601	43%	0.429	S	S	*	.	H	α-helix	trans	-60.6	-44.3	176.8	178.6	-98.6	0	0	0	111.9	N81 L82 I83 T89	N81-F85 VanDerWaalsContact O-CB 3.27Å; N81-F85 WeakPolarHBondContact O-CB 3.47Å; N81-F85 PolarHBondContact O-N 3.33Å; L82-F85 PolarHBondContact O-N 3.47Å; I83-F85 VanDerWaalsContact C-N 3.31Å; I83-F85 PolarHBondContact O-N 2.69Å; F85-T89 VanDerWaalsContact O-CB 3.31Å; F85-T89 WeakPolarHBondContact O-CB 3.36Å; F85-T89 PolarHBondContact O-N 3.32Å; F85-T89 PolarHBondContact O-OG1 2.88Å
86	I	78.2	Confident	73.5	Confident	98 Å²	98	86.8 Å²	86.8	50%	0.503	44%	0.44	S	S	.	.	H	α-helix	trans	-63.4	-44.1	176.1	-69	164.2	0	0	0	110.7	L82 I83 I84 T89 F90	L82-I86 HydrophobicContact CD1-CD1 4.37Å; L82-I86 HydrophobicContact CG-CD1 3.99Å; L82-I86 WeakPolarHBondContact O-CB 3.39Å; L82-I86 WeakPolarHBondContact O-CD1 3.33Å; L82-I86 WeakPolarHBondContact O-CG1 3.39Å; L82-I86 PolarHBondContact O-N 3.09Å; I83-I86 PolarHBondContact O-N 3.33Å; I84-I86 PolarHBondContact O-N 3.34Å; I86-T89 PolarHBondContact O-N 3.42Å; I86-F90 WeakPolarHBondContact O-CB 3.2Å; I86-F90 PolarHBondContact O-N 2.93Å
87	Q	77.3	Confident	71.7	Confident	118 Å²	118	86.5 Å²	86.5	55%	0.551	45%	0.448	S	S	*	.	H	α-helix	trans	-63.6	-45.5	178.2	-75.4	177.5	-30.6	0	0	112.3	I83 I84 T89 F90 H91	I83-Q87 HydrophobicContact CG2-CG 4.4Å; I83-Q87 WeakPolarHBondContact O-CB 3.27Å; I83-Q87 WeakPolarHBondContact O-CG 3.46Å; I83-Q87 PolarHBondContact O-N 2.84Å; I84-Q87 PolarHBondContact O-N 3.44Å; Q87-T89 VanDerWaalsContact C-N 3.33Å; Q87-T89 PolarHBondContact O-N 2.73Å; Q87-F90 PolarHBondContact O-N 2.79Å; Q87-H91 WeakPolarHBondContact O-CB 3.08Å; Q87-H91 PolarHBondContact O-N 3.46Å
88	N	73.1	Confident	70	Confident	72 Å²	72	92.3 Å²	92.3	39%	0.385	47%	0.474	S	S	.	.	H	α-helix	trans	-64.1	-41	176.9	-73.7	-13.4	0	0	0	110.9	I84 H91 V92	I84-N88 WeakPolarHBondContact O-CB 3.46Å; I84-N88 VanDerWaalsContact O-CG 3.3Å; I84-N88 PolarHBondContact O-N 3.49Å; N88-H91 PolarHBondContact O-N 3.18Å; N88-V92 WeakPolarHBondContact O-CB 3.41Å; N88-V92 WeakPolarHBondContact O-CG2 3.48Å; N88-V92 PolarHBondContact O-N 2.78Å
89	T	68.7	Low	68.1	Low	64 Å²	64	99.2 Å²	99.2	39%	0.393	50%	0.502	S	S	.	.	H	α-helix	trans	-61.1	-45.8	174.8	-56.9	0	0	0	0	110.7	F85 I86 Q87 V92 T93	F85-T89 VanDerWaalsContact O-CB 3.31Å; F85-T89 WeakPolarHBondContact O-CB 3.36Å; F85-T89 PolarHBondContact O-N 3.32Å; F85-T89 PolarHBondContact O-OG1 2.88Å; I86-T89 PolarHBondContact O-N 3.42Å; Q87-T89 VanDerWaalsContact C-N 3.33Å; Q87-T89 PolarHBondContact O-N 2.73Å; T89-V92 PolarHBondContact O-N 3.26Å; T89-T93 PolarHBondContact O-N 3.05Å; T89-T93 PolarHBondContact O-OG1 2.93Å
90	F	66.1	Low	66	Low	140 Å²	140	102.2 Å²	102.2	61%	0.614	52%	0.518	S	S	*	.	H	α-helix	trans	-64.5	-43.4	177.4	-171.5	-96.3	0	0	0	112.4	I86 Q87 V92 T93 M94	I86-F90 WeakPolarHBondContact O-CB 3.2Å; I86-F90 PolarHBondContact O-N 2.93Å; Q87-F90 PolarHBondContact O-N 2.79Å; F90-V92 VanDerWaalsContact C-N 3.34Å; F90-V92 PolarHBondContact O-N 3.13Å; F90-T93 PolarHBondContact O-N 3.16Å; F90-M94 HydrophobicContact CD1-CG 4.21Å; F90-M94 HydrophobicContact CE1-CG 3.91Å; F90-M94 HydrophobicContact CZ-CG 4.3Å; F90-M94 WeakPolarHBondContact O-CG 3.47Å; F90-M94 PolarHBondContact O-N 3.17Å
91	H	62.6	Low	64.1	Low	122 Å²	122	104.2 Å²	104.2	57%	0.565	54%	0.537	S	S	*	.	H	α-helix	trans	-64.2	-39.4	175.9	-169.5	-82.1	0	0	0	111.3	Q87 N88 M94 V95	Q87-H91 WeakPolarHBondContact O-CB 3.08Å; Q87-H91 PolarHBondContact O-N 3.46Å; N88-H91 PolarHBondContact O-N 3.18Å; H91-M94 PolarHBondContact O-N 2.52Å; H91-V95 WeakPolarHBondContact CE1-CG2 3.29Å; H91-V95 WeakPolarHBondContact ND1-CG2 3.46Å; H91-V95 VanDerWaalsContact O-CB 3.27Å; H91-V95 WeakPolarHBondContact O-CB 3.32Å; H91-V95 VanDerWaalsContact O-CG2 3.28Å; H91-V95 WeakPolarHBondContact O-CG2 3.31Å; H91-V95 PolarHBondContact O-N 3.48Å
92	V	59.8	Low	62.6	Low	68 Å²	68	110.5 Å²	110.5	41%	0.412	57%	0.569	S	S	.	*	H	α-helix	trans	-64.6	-44.8	173.1	170.5	0	0	0	0	110.6	N88 T89 F90 M94 V95 T96	N88-V92 WeakPolarHBondContact O-CB 3.41Å; N88-V92 WeakPolarHBondContact O-CG2 3.48Å; N88-V92 PolarHBondContact O-N 2.78Å; T89-V92 PolarHBondContact O-N 3.26Å; F90-V92 VanDerWaalsContact C-N 3.34Å; F90-V92 PolarHBondContact O-N 3.13Å; V92-M94 VanDerWaalsContact C-N 3.26Å; V92-M94 PolarHBondContact O-N 3.49Å; V92-V95 CarbonylContact O-C 3.6Å; V92-V95 PolarHBondContact O-N 3.39Å; V92-T96 HydrophobicContact CG1-CG2 4.15Å; V92-T96 WeakPolarHBondContact O-CB 3.1Å; V92-T96 WeakPolarHBondContact O-CG2 3.49Å; V92-T96 PolarHBondContact O-N 2.92Å; V92-T96 PolarHBondContact O-OG1 3.44Å
93	T	56.2	Low	60.9	Low	89 Å²	89	113 Å²	113	55%	0.546	58%	0.576	S	S	.	*	H	α-helix	trans	-59.3	-37.2	175.9	-54.3	0	0	0	0	112	T89 F90 T96	T89-T93 PolarHBondContact O-N 3.05Å; T89-T93 PolarHBondContact O-OG1 2.93Å; F90-T93 PolarHBondContact O-N 3.16Å; T93-T96 PolarHBondContact O-OG1 3.38Å
94	M	55.1	Low	59.2	Low	116 Å²	116	116 Å²	116	57%	0.571	59%	0.592	S	S	*	*	H	α-helix	trans	-72.9	-41.5	174.7	-70.4	-67.6	-74.8	0	0	112.9	F90 H91 V92 N97	F90-M94 HydrophobicContact CD1-CG 4.21Å; F90-M94 HydrophobicContact CE1-CG 3.91Å; F90-M94 HydrophobicContact CZ-CG 4.3Å; F90-M94 WeakPolarHBondContact O-CG 3.47Å; F90-M94 PolarHBondContact O-N 3.17Å; H91-M94 PolarHBondContact O-N 2.52Å; V92-M94 VanDerWaalsContact C-N 3.26Å; V92-M94 PolarHBondContact O-N 3.49Å; M94-N97 WeakPolarHBondContact O-CB 3.17Å; M94-N97 PolarHBondContact O-N 3.36Å
95	V	56.3	Low	57.7	Low	47 Å²	47	120.8 Å²	120.8	29%	0.285	62%	0.617	S	S	.	*	H	α-helix	trans	-81.8	-17.6	-177.9	171.3	0	0	0	0	113	H91 V92 N97 H98 K99	H91-V95 WeakPolarHBondContact CE1-CG2 3.29Å; H91-V95 WeakPolarHBondContact ND1-CG2 3.46Å; H91-V95 VanDerWaalsContact O-CB 3.27Å; H91-V95 WeakPolarHBondContact O-CB 3.32Å; H91-V95 VanDerWaalsContact O-CG2 3.28Å; H91-V95 WeakPolarHBondContact O-CG2 3.31Å; H91-V95 PolarHBondContact O-N 3.48Å; V92-V95 CarbonylContact O-C 3.6Å; V92-V95 PolarHBondContact O-N 3.39Å; V95-N97 PolarHBondContact O-N 3.27Å; V95-H98 WeakPolarHBondContact CG1-O 3.35Å; V95-H98 CarbonylContact O-C 3.57Å; V95-H98 WeakPolarHBondContact O-CA 3.39Å; V95-H98 PolarHBondContact O-N 2.97Å; V95-K99 PolarHBondContact O-N 3.32Å
96	T	53.5	Low	56.6	Low	95 Å²	95	118.8 Å²	118.8	58%	0.583	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-9.6	167.8	39.4	0	0	0	0	112.7	V92 T93	V92-T96 HydrophobicContact CG1-CG2 4.15Å; V92-T96 WeakPolarHBondContact O-CB 3.1Å; V92-T96 WeakPolarHBondContact O-CG2 3.49Å; V92-T96 PolarHBondContact O-N 2.92Å; V92-T96 PolarHBondContact O-OG1 3.44Å; T93-T96 PolarHBondContact O-OG1 3.38Å
97	N	54.4	Low	55.7	Low	128 Å²	128	118.3 Å²	118.3	68%	0.684	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-24	161.6	-73.2	-33.4	0	0	0	113.9	M94 V95	M94-N97 WeakPolarHBondContact O-CB 3.17Å; M94-N97 PolarHBondContact O-N 3.36Å; V95-N97 PolarHBondContact O-N 3.27Å
98	H	48.7	Very low	54.8	Low	165 Å²	165	117.3 Å²	117.3	76%	0.764	61%	0.612	S	S	*	*	S	Bend	trans	-155.4	102.4	166.6	-85.7	-69.9	0	0	0	114	V95	V95-H98 WeakPolarHBondContact CG1-O 3.35Å; V95-H98 CarbonylContact O-C 3.57Å; V95-H98 WeakPolarHBondContact O-CA 3.39Å; V95-H98 PolarHBondContact O-N 2.97Å
99	K	45.8	Very low	54.5	Low	190 Å²	190	119.7 Å²	119.7	83%	0.826	63%	0.625	S	S	*	*			trans	61.1	102.4	154.9	-82.8	-179.2	173.8	178	0	119.8	V95 S101	V95-K99 PolarHBondContact O-N 3.32Å; K99-S101 PolarHBondContact O-N 3.44Å
100	L	44.8	Very low	54.5	Low	152 Å²	152	120.2 Å²	120.2	80%	0.796	62%	0.623	S	S	*	*			trans	-54.1	107.5	161.4	-169.1	81.5	0	0	0	114.3
101	S	45	Very low	55.1	Low	101 Å²	101	116.9 Å²	116.9	71%	0.706	61%	0.614	S	S	*	*			trans	-162.9	143.2	156.7	69.5	0	0	0	0	110.7	K99	K99-S101 PolarHBondContact O-N 3.44Å
102	I	49.5	Very low	55.8	Low	174 Å²	174	116.4 Å²	116.4	89%	0.892	61%	0.612	S	S	*	*			trans	104.4	80.9	-175.8	-52.5	154.4	0	0	0	111.6
103	F	46.9	Very low	56.6	Low	154 Å²	154	115 Å²	115	68%	0.675	61%	0.605	S	S	*	*			trans	-129.2	-1.1	175.7	-156.4	-98.2	0	0	0	115
104	N	45.3	Very low	57.9	Low	143 Å²	143	115.5 Å²	115.5	77%	0.765	60%	0.604	S	S	*	*	S	Bend	trans	-103.7	2.6	-157.9	-130.9	10.8	0	0	0	118.7
105	I	47.5	Very low	59.5	Low	163 Å²	163	114 Å²	114	84%	0.836	60%	0.597	S	S	*	*	S	Bend	trans	-104.2	-15.1	177.9	-66.9	172.6	0	0	0	112.8
106	N	54.4	Low	60.9	Low	95 Å²	95	115.6 Å²	115.6	51%	0.508	60%	0.603	S	S	.	*	S	Bend	trans	-85.1	-14.1	-179.5	-70.8	-12.6	0	0	0	114.7	V108 E110	N106-V108 PolarHBondContact O-N 3.29Å; N106-E110 HydrophobicContact CB-CG 4.32Å; N106-E110 WeakPolarHBondContact CB-OE1 3.31Å; N106-E110 WeakPolarHBondContact O-CB 3.19Å; N106-E110 WeakPolarHBondContact O-CG 3.36Å; N106-E110 PolarHBondContact O-N 3.36Å
107	L	58.6	Low	62.4	Low	89 Å²	89	112.7 Å²	112.7	47%	0.466	58%	0.583	S	S	.	*	H	α-helix	trans	-63.7	-39.7	-165.7	-168.1	69.3	0	0	0	114.4	E110 V111	L107-E110 PolarHBondContact O-N 3.38Å; L107-V111 VanDerWaalsContact O-CG2 3.28Å; L107-V111 WeakPolarHBondContact O-CG2 3.3Å; L107-V111 PolarHBondContact O-N 3.47Å
108	V	59.1	Low	64.2	Low	96 Å²	96	110.6 Å²	110.6	58%	0.582	57%	0.571	S	S	*	*	H	α-helix	trans	-71.3	-45.1	-175.5	177.5	0	0	0	0	111.8	N106 E110 V111 H112	N106-V108 PolarHBondContact O-N 3.29Å; V108-E110 VanDerWaalsContact C-N 3.29Å; V108-E110 PolarHBondContact O-N 3.34Å; V108-V111 PolarHBondContact O-N 3.07Å; V108-H112 PolarHBondContact O-CD2 3.34Å; V108-H112 PolarHBondContact O-N 3.27Å; V108-H112 VanDerWaalsContact O-N 3.1Å
109	N	65.4	Low	66.2	Low	123 Å²	123	107.9 Å²	107.9	66%	0.658	56%	0.562	S	S	*	*	H	α-helix	trans	-64.6	-37.2	175.4	-74.2	-16.8	0	0	0	110.9	H112 C113	N109-H112 PolarHBondContact O-N 2.88Å; N109-C113 WeakPolarHBondContact O-CB 3.27Å; N109-C113 PolarHBondContact O-N 2.83Å; N109-C113 PolarHBondContact O-SG 3.37Å; N109-C113 VanDerWaalsContact O-SG 3.41Å
110	E	70.4	Confident	68.4	Low	74 Å²	74	99.8 Å²	99.8	35%	0.346	53%	0.527	S	S	.	.	H	α-helix	trans	-61.3	-42.6	174.2	-76.3	172.4	-174.5	0	0	112.1	N106 L107 V108 C113 L114	N106-E110 HydrophobicContact CB-CG 4.32Å; N106-E110 WeakPolarHBondContact CB-OE1 3.31Å; N106-E110 WeakPolarHBondContact O-CB 3.19Å; N106-E110 WeakPolarHBondContact O-CG 3.36Å; N106-E110 PolarHBondContact O-N 3.36Å; L107-E110 PolarHBondContact O-N 3.38Å; V108-E110 VanDerWaalsContact C-N 3.29Å; V108-E110 PolarHBondContact O-N 3.34Å; E110-C113 PolarHBondContact O-N 3.46Å; E110-L114 VanDerWaalsContact O-CB 3.3Å; E110-L114 WeakPolarHBondContact O-CB 3.49Å; E110-L114 PolarHBondContact O-N 2.89Å
111	V	77.2	Confident	70.6	Confident	71 Å²	71	96.6 Å²	96.6	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-66.7	-45.8	178.5	171.9	0	0	0	0	111.8	L107 V108 C113 L114 I115	L107-V111 VanDerWaalsContact O-CG2 3.28Å; L107-V111 WeakPolarHBondContact O-CG2 3.3Å; L107-V111 PolarHBondContact O-N 3.47Å; V108-V111 PolarHBondContact O-N 3.07Å; V111-C113 VanDerWaalsContact C-N 3.35Å; V111-C113 PolarHBondContact O-N 3.06Å; V111-L114 PolarHBondContact O-N 3.34Å; V111-I115 HydrophobicContact CG1-CD1 3.88Å; V111-I115 HydrophobicContact CG1-CG1 4.47Å; V111-I115 VanDerWaalsContact O-CG1 3.31Å; V111-I115 WeakPolarHBondContact O-CG1 3.31Å; V111-I115 PolarHBondContact O-N 2.86Å
112	H	77.3	Confident	73	Confident	112 Å²	112	96.6 Å²	96.6	52%	0.519	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-42.7	177.3	-74.1	-62.8	0	0	0	112.1	V108 N109 I115 I116	V108-H112 PolarHBondContact O-CD2 3.34Å; V108-H112 PolarHBondContact O-N 3.27Å; V108-H112 VanDerWaalsContact O-N 3.1Å; N109-H112 PolarHBondContact O-N 2.88Å; H112-I115 PolarHBondContact O-N 3.4Å; H112-I116 WeakPolarHBondContact O-CG1 3.2Å; H112-I116 PolarHBondContact O-N 3.3Å; H112-I116 VanDerWaalsContact O-N 3.08Å
113	C	78.1	Confident	75.2	Confident	39 Å²	39	90.1 Å²	90.1	26%	0.264	47%	0.465	S	S	.	.	H	α-helix	trans	-61.2	-46	173.8	-76.2	0	0	0	0	111.3	N109 E110 V111 I115 I116 I117	N109-C113 WeakPolarHBondContact O-CB 3.27Å; N109-C113 PolarHBondContact O-N 2.83Å; N109-C113 PolarHBondContact O-SG 3.37Å; N109-C113 VanDerWaalsContact O-SG 3.41Å; E110-C113 PolarHBondContact O-N 3.46Å; V111-C113 VanDerWaalsContact C-N 3.35Å; V111-C113 PolarHBondContact O-N 3.06Å; C113-I115 VanDerWaalsContact C-N 3.32Å; C113-I115 PolarHBondContact O-N 3.2Å; C113-I116 PolarHBondContact O-N 2.68Å; C113-I117 WeakPolarHBondContact O-CG1 3.33Å; C113-I117 PolarHBondContact O-N 2.98Å
114	L	83.2	Confident	77.3	Confident	99 Å²	99	85.1 Å²	85.1	52%	0.518	45%	0.448	S	S	.	.	H	α-helix	trans	-59.2	-42.2	178.8	-176.5	63.6	0	0	0	112.1	E110 V111 I117 I118	E110-L114 VanDerWaalsContact O-CB 3.3Å; E110-L114 WeakPolarHBondContact O-CB 3.49Å; E110-L114 PolarHBondContact O-N 2.89Å; V111-L114 PolarHBondContact O-N 3.34Å; L114-I117 PolarHBondContact O-N 3.17Å; L114-I118 HydrophobicContact CD1-CD1 4.25Å; L114-I118 HydrophobicContact CD1-CG1 4.47Å; L114-I118 HydrophobicContact CG-CD1 3.94Å; L114-I118 VanDerWaalsContact O-CG1 3.28Å; L114-I118 WeakPolarHBondContact O-CG1 3.29Å; L114-I118 PolarHBondContact O-N 2.67Å
115	I	87.2	Confident	79.7	Confident	84 Å²	84	83.2 Å²	83.2	43%	0.431	44%	0.436	S	S	.	.	H	α-helix	trans	-61.7	-47.5	176.3	-67.9	165.8	0	0	0	110.8	V111 H112 C113 I117 I118 L119	V111-I115 HydrophobicContact CG1-CD1 3.88Å; V111-I115 HydrophobicContact CG1-CG1 4.47Å; V111-I115 VanDerWaalsContact O-CG1 3.31Å; V111-I115 WeakPolarHBondContact O-CG1 3.31Å; V111-I115 PolarHBondContact O-N 2.86Å; H112-I115 PolarHBondContact O-N 3.4Å; C113-I115 VanDerWaalsContact C-N 3.32Å; C113-I115 PolarHBondContact O-N 3.2Å; I115-I117 VanDerWaalsContact C-N 3.29Å; I115-I117 PolarHBondContact O-N 2.91Å; I115-I118 PolarHBondContact O-N 3.47Å; I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 HydrophobicContact CG2-CG 4.41Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 2.88Å
116	I	86.1	Confident	82	Confident	80 Å²	80	80.1 Å²	80.1	41%	0.41	42%	0.415	S	S	.	.	H	α-helix	trans	-60.2	-41.6	178.3	-68.6	166.4	0	0	0	110.7	L74 H112 C113 L119 F120	L74-I116 HydrophobicContact CD2-CG2 3.69Å; H112-I116 WeakPolarHBondContact O-CG1 3.2Å; H112-I116 PolarHBondContact O-N 3.3Å; H112-I116 VanDerWaalsContact O-N 3.08Å; C113-I116 PolarHBondContact O-N 2.68Å; I116-L119 PolarHBondContact O-N 2.96Å; I116-F120 WeakPolarHBondContact O-CB 3.47Å; I116-F120 PolarHBondContact O-N 3.32Å
117	I	86.2	Confident	83.9	Confident	34 Å²	34	77.4 Å²	77.4	17%	0.174	40%	0.397	C	S	.	.	H	α-helix	trans	-63.9	-46.4	177.9	-66	173.1	0	0	0	110.8	I78 N81 C113 L114 I115 L119 F120 I121	I78-I117 HydrophobicContact CG1-CB 4.44Å; I78-I117 HydrophobicContact CG1-CD1 4.24Å; I78-I117 HydrophobicContact CG1-CG1 3.75Å; I78-I117 HydrophobicContact CG1-CG2 4.17Å; N81-I117 HydrophobicContact CB-CD1 4.42Å; C113-I117 WeakPolarHBondContact O-CG1 3.33Å; C113-I117 PolarHBondContact O-N 2.98Å; L114-I117 PolarHBondContact O-N 3.17Å; I115-I117 VanDerWaalsContact C-N 3.29Å; I115-I117 PolarHBondContact O-N 2.91Å; I117-L119 PolarHBondContact O-N 3.14Å; I117-F120 PolarHBondContact O-N 3.13Å; I117-I121 HydrophobicContact CG2-CD1 3.8Å; I117-I121 HydrophobicContact CG2-CG1 4.42Å; I117-I121 VanDerWaalsContact O-CG1 3.31Å; I117-I121 WeakPolarHBondContact O-CG1 3.34Å; I117-I121 PolarHBondContact O-N 3.35Å
118	I	90.6	Very high	85.6	Confident	84 Å²	84	80.8 Å²	80.8	43%	0.431	41%	0.408	S	S	.	.	H	α-helix	trans	-60.5	-47.6	178	-70.5	166.9	0	0	0	110.5	L114 I115 F120 I121 I122	L114-I118 HydrophobicContact CD1-CD1 4.25Å; L114-I118 HydrophobicContact CD1-CG1 4.47Å; L114-I118 HydrophobicContact CG-CD1 3.94Å; L114-I118 VanDerWaalsContact O-CG1 3.28Å; L114-I118 WeakPolarHBondContact O-CG1 3.29Å; L114-I118 PolarHBondContact O-N 2.67Å; I115-I118 PolarHBondContact O-N 3.47Å; I118-F120 VanDerWaalsContact C-N 3.31Å; I118-F120 PolarHBondContact O-N 3.27Å; I118-I121 PolarHBondContact O-N 2.9Å; I118-I122 HydrophobicContact CG2-CD1 3.79Å; I118-I122 HydrophobicContact CG2-CG1 4.49Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.24Å; I118-I122 PolarHBondContact O-N 3.31Å
119	L	91.9	Very high	87.3	Confident	108 Å²	108	81.2 Å²	81.2	57%	0.565	42%	0.415	S	S	*	.	H	α-helix	trans	-60.9	-40.7	177.6	-69.8	175.6	0	0	0	111.8	I115 I116 I117 I122 Y123	I115-L119 HydrophobicContact CG2-CD1 4.01Å; I115-L119 HydrophobicContact CG2-CG 4.41Å; I115-L119 WeakPolarHBondContact O-CG 3.37Å; I115-L119 PolarHBondContact O-N 2.88Å; I116-L119 PolarHBondContact O-N 2.96Å; I117-L119 PolarHBondContact O-N 3.14Å; L119-I122 PolarHBondContact O-N 3.19Å; L119-Y123 WeakPolarHBondContact O-CB 3.42Å; L119-Y123 PolarHBondContact O-N 3.14Å
120	F	91.5	Very high	88.7	Confident	21 Å²	21	76.2 Å²	76.2	9%	0.092	39%	0.388	C	S	.	.	H	α-helix	trans	-66.6	-40	177	-179.4	-103.7	0	0	0	112.7	L71 L74 I75 I78 I116 I117 I118 Y123 T124	L71-F120 HydrophobicContact CD1-CE2 3.56Å; L71-F120 HydrophobicContact CD1-CZ 3.51Å; L74-F120 HydrophobicContact CB-CD2 4Å; L74-F120 HydrophobicContact CB-CE2 4Å; L74-F120 HydrophobicContact CB-CG 4.34Å; L74-F120 HydrophobicContact CB-CZ 4.35Å; L74-F120 HydrophobicContact CD1-CD2 3.45Å; L74-F120 VanDerWaalsContact CD1-CD2 3.45Å; L74-F120 HydrophobicContact CD1-CE2 3.84Å; L74-F120 HydrophobicContact CD1-CG 4.27Å; L74-F120 HydrophobicContact CG-CD2 4.33Å; I75-F120 HydrophobicContact CG1-CE1 4.3Å; I75-F120 HydrophobicContact CG1-CZ 4.11Å; I78-F120 HydrophobicContact CD1-CD1 3.31Å; I78-F120 HydrophobicContact CD1-CE1 3.68Å; I78-F120 HydrophobicContact CD1-CG 4.26Å; I116-F120 WeakPolarHBondContact O-CB 3.47Å; I116-F120 PolarHBondContact O-N 3.32Å; I117-F120 PolarHBondContact O-N 3.13Å; I118-F120 VanDerWaalsContact C-N 3.31Å; I118-F120 PolarHBondContact O-N 3.27Å; F120-Y123 PolarHBondContact O-N 2.9Å; F120-T124 WeakPolarHBondContact O-CB 3.39Å; F120-T124 PolarHBondContact O-N 2.94Å; F120-T124 PolarHBondContact O-OG1 3.24Å
121	I	91	Very high	89.7	Confident	85 Å²	85	79.7 Å²	79.7	44%	0.436	40%	0.398	S	S	.	.	H	α-helix	trans	-63.2	-46.9	174.9	-70.1	168	0	0	0	110.2	I117 I118 Y123 T124 I125	I117-I121 HydrophobicContact CG2-CD1 3.8Å; I117-I121 HydrophobicContact CG2-CG1 4.42Å; I117-I121 VanDerWaalsContact O-CG1 3.31Å; I117-I121 WeakPolarHBondContact O-CG1 3.34Å; I117-I121 PolarHBondContact O-N 3.35Å; I118-I121 PolarHBondContact O-N 2.9Å; I121-Y123 VanDerWaalsContact C-N 3.34Å; I121-Y123 PolarHBondContact O-N 3.09Å; I121-T124 PolarHBondContact O-N 2.69Å; I121-I125 HydrophobicContact CG2-CD1 3.91Å; I121-I125 VanDerWaalsContact O-CG1 3.31Å; I121-I125 WeakPolarHBondContact O-CG1 3.43Å; I121-I125 PolarHBondContact O-N 3.39Å
122	I	95.6	Very high	90.5	Very high	101 Å²	101	78.2 Å²	78.2	52%	0.518	39%	0.388	S	S	.	.	H	α-helix	trans	-58.6	-47.8	177.2	-69	167.4	0	0	0	110.5	I118 L119 T124 I125 Y126	I118-I122 HydrophobicContact CG2-CD1 3.79Å; I118-I122 HydrophobicContact CG2-CG1 4.49Å; I118-I122 VanDerWaalsContact O-CG1 3.3Å; I118-I122 WeakPolarHBondContact O-CG1 3.24Å; I118-I122 PolarHBondContact O-N 3.31Å; L119-I122 PolarHBondContact O-N 3.19Å; I122-T124 VanDerWaalsContact C-N 3.33Å; I122-T124 PolarHBondContact O-N 3.36Å; I122-I125 PolarHBondContact O-N 3.14Å; I122-Y126 PolarHBondContact O-N 3.24Å
123	Y	95.3	Very high	91.4	Very high	38 Å²	38	73.9 Å²	73.9	15%	0.149	37%	0.37	C	S	.	.	H	α-helix	trans	-63.4	-39	177.5	177.4	-94.9	0	0	0	112	L119 F120 I121 I125 Y126 W127 P266 F267 D270	L119-Y123 WeakPolarHBondContact O-CB 3.42Å; L119-Y123 PolarHBondContact O-N 3.14Å; F120-Y123 PolarHBondContact O-N 2.9Å; I121-Y123 VanDerWaalsContact C-N 3.34Å; I121-Y123 PolarHBondContact O-N 3.09Å; Y123-I125 PolarHBondContact O-N 3.03Å; Y123-Y126 HydrophobicContact CD2-CD1 4.16Å; Y123-Y126 HydrophobicContact CE2-CD1 4.04Å; Y123-Y126 HydrophobicContact CE2-CE1 4.37Å; Y123-Y126 WeakPolarHBondContact O-CB 3.29Å; Y123-Y126 PolarHBondContact O-N 2.99Å; Y123-W127 HydrophobicContact CE1-CB 4.15Å; Y123-W127 HydrophobicContact CE1-CG 4.47Å; Y123-W127 VanDerWaalsContact O-CB 3.31Å; Y123-W127 WeakPolarHBondContact O-CB 3.17Å; Y123-W127 PolarHBondContact O-N 3.38Å; Y123-P266 HydrophobicContact CE1-CB 3.79Å; Y123-P266 WeakPolarHBondContact OH-CB 3.4Å; Y123-F267 HydrophobicContact CD1-CD1 4.36Å; Y123-F267 AromaticContact CD1-CE1 3.48Å; Y123-F267 HydrophobicContact CD1-CE1 3.48Å; Y123-F267 VanDerWaalsContact CD1-CE1 3.48Å; Y123-F267 AromaticContact CD1-CZ 3.7Å; Y123-F267 HydrophobicContact CD1-CZ 3.7Å; Y123-F267 HydrophobicContact CD2-CD1 4.34Å; Y123-F267 AromaticContact CD2-CE1 3.86Å; Y123-F267 HydrophobicContact CD2-CE1 3.86Å; Y123-F267 AromaticContact CE1-CD1 3.8Å; Y123-F267 HydrophobicContact CE1-CD1 3.8Å; Y123-F267 AromaticContact CE1-CE1 3.31Å; Y123-F267 HydrophobicContact CE1-CE1 3.31Å; Y123-F267 HydrophobicContact CE1-CE2 4.31Å; Y123-F267 HydrophobicContact CE1-CG 4.47Å; Y123-F267 AromaticContact CE1-CZ 3.61Å; Y123-F267 HydrophobicContact CE1-CZ 3.61Å; Y123-F267 AromaticContact CE2-CD1 3.76Å; Y123-F267 HydrophobicContact CE2-CD1 3.76Å; Y123-F267 AromaticContact CE2-CE1 3.71Å; Y123-F267 HydrophobicContact CE2-CE1 3.71Å; Y123-F267 AromaticContact CG-CE1 3.76Å; Y123-F267 HydrophobicContact CG-CE1 3.76Å; Y123-F267 HydrophobicContact CG-CZ 4.34Å; Y123-F267 AromaticContact CZ-CD1 3.46Å; Y123-F267 VanDerWaalsContact CZ-CD1 3.46Å; Y123-F267 AromaticContact CZ-CE1 3.44Å; Y123-F267 VanDerWaalsContact CZ-CE1 3.44Å; Y123-F267 PolarHBondContact OH-N 3.27Å; Y123-D270 WeakPolarHBondContact CE2-OD2 3.32Å; Y123-D270 PolarHBondContact OH-OD2 2.65Å
124	T	92.2	Very high	92.1	Very high	49 Å²	49	72.4 Å²	72.4	30%	0.301	36%	0.359	S	S	.	.	H	α-helix	trans	-64.3	-40.6	177.3	-59.4	0	0	0	0	111.4	F120 I121 I122 W127 F128	F120-T124 WeakPolarHBondContact O-CB 3.39Å; F120-T124 PolarHBondContact O-N 2.94Å; F120-T124 PolarHBondContact O-OG1 3.24Å; I121-T124 PolarHBondContact O-N 2.69Å; I122-T124 VanDerWaalsContact C-N 3.33Å; I122-T124 PolarHBondContact O-N 3.36Å; T124-W127 PolarHBondContact O-N 3.23Å; T124-F128 WeakPolarHBondContact O-CB 3.49Å; T124-F128 PolarHBondContact O-N 3.21Å
125	I	95.6	Very high	92.7	Very high	103 Å²	103	67.9 Å²	67.9	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-61.8	-48	173.5	-66.9	164.8	0	0	0	110	I121 I122 Y123 W127 F128 C129	I121-I125 HydrophobicContact CG2-CD1 3.91Å; I121-I125 VanDerWaalsContact O-CG1 3.31Å; I121-I125 WeakPolarHBondContact O-CG1 3.43Å; I121-I125 PolarHBondContact O-N 3.39Å; I122-I125 PolarHBondContact O-N 3.14Å; Y123-I125 PolarHBondContact O-N 3.03Å; I125-W127 PolarHBondContact O-N 2.72Å; I125-F128 PolarHBondContact O-N 3.34Å; I125-C129 WeakPolarHBondContact O-CB 3.44Å; I125-C129 PolarHBondContact O-N 3.03Å; I125-C129 PolarHBondContact O-SG 2.91Å
126	Y	96	Very high	93.1	Very high	98 Å²	98	67.3 Å²	67.3	38%	0.384	33%	0.331	S	S	.	.	H	α-helix	trans	-56.6	-50.4	174.9	164.4	-103.2	0	0	0	111.6	I122 Y123 F128 C129 D130	I122-Y126 PolarHBondContact O-N 3.24Å; Y123-Y126 HydrophobicContact CD2-CD1 4.16Å; Y123-Y126 HydrophobicContact CE2-CD1 4.04Å; Y123-Y126 HydrophobicContact CE2-CE1 4.37Å; Y123-Y126 WeakPolarHBondContact O-CB 3.29Å; Y123-Y126 PolarHBondContact O-N 2.99Å; Y126-F128 VanDerWaalsContact C-N 3.3Å; Y126-F128 PolarHBondContact O-N 2.83Å; Y126-C129 PolarHBondContact O-N 3.44Å; Y126-D130 HydrophobicContact CD2-CB 4.44Å; Y126-D130 HydrophobicContact CE2-CB 4Å; Y126-D130 VanDerWaalsContact O-CB 3.28Å; Y126-D130 WeakPolarHBondContact O-CB 3.33Å; Y126-D130 PolarHBondContact O-N 2.81Å
127	W	94.4	Very high	93.3	Very high	37 Å²	37	63.8 Å²	63.8	14%	0.14	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-38.3	-177.3	-179.1	47.5	0	0	0	112.1	L71 Y123 T124 I125 W131 P266 R269	L71-W127 HydrophobicContact CD2-CH2 4.39Å; L71-W127 HydrophobicContact CD2-CZ3 4.46Å; Y123-W127 HydrophobicContact CE1-CB 4.15Å; Y123-W127 HydrophobicContact CE1-CG 4.47Å; Y123-W127 VanDerWaalsContact O-CB 3.31Å; Y123-W127 WeakPolarHBondContact O-CB 3.17Å; Y123-W127 PolarHBondContact O-N 3.38Å; T124-W127 PolarHBondContact O-N 3.23Å; I125-W127 PolarHBondContact O-N 2.72Å; W127-W131 AromaticContact CE2-CZ3 3.92Å; W127-W131 HydrophobicContact CH2-CZ3 4.1Å; W127-W131 HydrophobicContact CZ2-CE3 4.4Å; W127-W131 HydrophobicContact CZ2-CH2 4.5Å; W127-W131 AromaticContact CZ2-CZ3 3.65Å; W127-W131 HydrophobicContact CZ2-CZ3 3.65Å; W127-W131 VanDerWaalsContact O-CA 3.29Å; W127-W131 WeakPolarHBondContact O-CA 3.42Å; W127-W131 PolarHBondContact O-N 3.29Å; W127-P266 HydrophobicContact CD2-CB 4.09Å; W127-P266 HydrophobicContact CE3-CB 4.37Å; W127-P266 HydrophobicContact CH2-CB 4.35Å; W127-P266 HydrophobicContact CH2-CG 4.18Å; W127-P266 HydrophobicContact CZ2-CB 4.06Å; W127-P266 HydrophobicContact CZ2-CG 4.25Å; W127-P266 HydrophobicContact CZ3-CB 4.5Å; W127-P266 HydrophobicContact CZ3-CG 4.44Å; W127-R269 VanDerWaalsContact CD1-NH1 3.29Å
128	F	93.4	Very high	93.6	Very high	160 Å²	160	62.6 Å²	62.6	70%	0.702	31%	0.31	S	S	*	.	H	α-helix	trans	-69.6	-44.8	175.1	-170.3	-98.7	0	0	0	112.2	T124 I125 Y126 D130 W131	T124-F128 WeakPolarHBondContact O-CB 3.49Å; T124-F128 PolarHBondContact O-N 3.21Å; I125-F128 PolarHBondContact O-N 3.34Å; Y126-F128 VanDerWaalsContact C-N 3.3Å; Y126-F128 PolarHBondContact O-N 2.83Å; F128-D130 VanDerWaalsContact C-N 3.3Å; F128-D130 PolarHBondContact O-N 2.91Å; F128-W131 VanDerWaalsContact O-CB 3.31Å; F128-W131 WeakPolarHBondContact O-CB 3.27Å; F128-W131 PolarHBondContact O-N 3.48Å
129	C	95.2	Very high	93.8	Very high	105 Å²	105	61.5 Å²	61.5	71%	0.709	30%	0.303	S	S	*	.	H	α-helix	trans	-63.5	-36.7	175.7	-71.5	0	0	0	0	112.3	I125 Y126	I125-C129 WeakPolarHBondContact O-CB 3.44Å; I125-C129 PolarHBondContact O-N 3.03Å; I125-C129 PolarHBondContact O-SG 2.91Å; Y126-C129 PolarHBondContact O-N 3.44Å
130	D	95.2	Very high	94	Very high	19 Å²	19	59 Å²	59	10%	0.102	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	4.7	-179.4	-163.8	63.8	0	0	0	112.5	Y126 F128 D132 S133 H139 R269	Y126-D130 HydrophobicContact CD2-CB 4.44Å; Y126-D130 HydrophobicContact CE2-CB 4Å; Y126-D130 VanDerWaalsContact O-CB 3.28Å; Y126-D130 WeakPolarHBondContact O-CB 3.33Å; Y126-D130 PolarHBondContact O-N 2.81Å; F128-D130 VanDerWaalsContact C-N 3.3Å; F128-D130 PolarHBondContact O-N 2.91Å; D130-D132 VanDerWaalsContact C-N 3.27Å; D130-D132 PolarHBondContact O-N 2.93Å; D130-S133 WeakPolarHBondContact O-CB 3.47Å; D130-S133 PolarHBondContact O-N 3.34Å; D130-S133 PolarHBondContact O-OG 3.44Å; D130-S133 VanDerWaalsContact O-OG 3.14Å; D130-S133 WeakPolarHBondContact OD1-CB 3.3Å; D130-S133 PolarHBondContact OD1-OG 3.49Å; D130-S133 WeakPolarHBondContact OD2-CB 3.45Å; D130-S133 PolarHBondContact OD2-OG 3.46Å; D130-H139 IonicContact OD1-CD2 3.44Å; D130-H139 IonicContact OD1-CE1 3.91Å; D130-H139 IonicContact OD1-NE2 2.74Å; D130-H139 PolarHBondContact OD1-NE2 2.76Å; D130-H139 IonicContact OD2-CD2 3.12Å; D130-H139 IonicContact OD2-NE2 3.97Å; D130-H139 PolarHBondContact OD2-NE2 2.78Å; D130-R269 PolarHBondContact O-NH1 3.35Å; D130-R269 PolarHBondContact O-NH2 3.29Å; D130-R269 IonicContact OD2-CZ 3.61Å; D130-R269 IonicContact OD2-NH2 2.69Å; D130-R269 PolarHBondContact OD2-NH2 3.01Å
131	W	91.2	Very high	94.2	Very high	146 Å²	146	64.2 Å²	64.2	55%	0.553	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.4	-42.8	-163.2	177.2	-99.2	0	0	0	116.5	W127 F128 R269	W127-W131 AromaticContact CE2-CZ3 3.92Å; W127-W131 HydrophobicContact CH2-CZ3 4.1Å; W127-W131 HydrophobicContact CZ2-CE3 4.4Å; W127-W131 HydrophobicContact CZ2-CH2 4.5Å; W127-W131 AromaticContact CZ2-CZ3 3.65Å; W127-W131 HydrophobicContact CZ2-CZ3 3.65Å; W127-W131 VanDerWaalsContact O-CA 3.29Å; W127-W131 WeakPolarHBondContact O-CA 3.42Å; W127-W131 PolarHBondContact O-N 3.29Å; F128-W131 VanDerWaalsContact O-CB 3.31Å; F128-W131 WeakPolarHBondContact O-CB 3.27Å; F128-W131 PolarHBondContact O-N 3.48Å; W131-R269 PolarHBondContact O-NH1 3.27Å
132	D	93.8	Very high	94.4	Very high	41 Å²	41	64.6 Å²	64.6	22%	0.219	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	12.9	-171.4	-156	36.3	0	0	0	114.2	D130 N134 N135 H136 K283	D130-D132 VanDerWaalsContact C-N 3.27Å; D130-D132 PolarHBondContact O-N 2.93Å; D132-N134 PolarHBondContact O-N 3.38Å; D132-N135 PolarHBondContact O-N 2.89Å; D132-N135 PolarHBondContact OD1-ND2 2.9Å; D132-H136 PolarHBondContact O-ND1 2.87Å; D132-H136 IonicContact OD2-CE1 2.77Å; D132-H136 PolarHBondContact OD2-CE1 2.76Å; D132-H136 IonicContact OD2-ND1 3.36Å; D132-K283 WeakPolarHBondContact OD2-CE 3.46Å; D132-K283 IonicContact OD2-NZ 3.73Å; D132-K283 PolarHBondContact OD2-NZ 3.27Å
133	S	95.7	Very high	94.4	Very high	20 Å²	20	66.4 Å²	66.4	14%	0.14	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-65.1	-20.4	-176	-65.5	0	0	0	0	113.6	D130 N135 H136 S138	D130-S133 WeakPolarHBondContact O-CB 3.47Å; D130-S133 PolarHBondContact O-N 3.34Å; D130-S133 PolarHBondContact O-OG 3.44Å; D130-S133 VanDerWaalsContact O-OG 3.14Å; D130-S133 WeakPolarHBondContact OD1-CB 3.3Å; D130-S133 PolarHBondContact OD1-OG 3.49Å; D130-S133 WeakPolarHBondContact OD2-CB 3.45Å; D130-S133 PolarHBondContact OD2-OG 3.46Å; S133-N135 PolarHBondContact O-N 2.73Å; S133-H136 CarbonylContact O-C 2.97Å; S133-H136 PolarHBondContact O-N 3.28Å; S133-S138 WeakPolarHBondContact O-CA 3.44Å; S133-S138 PolarHBondContact O-N 2.94Å
134	N	94	Very high	94.4	Very high	8 Å²	8	65.8 Å²	65.8	4%	0.043	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-64.4	-17.1	168.5	63.8	-39.6	0	0	0	113.5	D132 F263 M273 I278 A279	D132-N134 PolarHBondContact O-N 3.38Å; N134-F263 HydrophobicContact CB-CB 4.15Å; N134-F263 HydrophobicContact CB-CD1 3.41Å; N134-F263 VanDerWaalsContact CB-CD1 3.41Å; N134-F263 HydrophobicContact CB-CD2 4.25Å; N134-F263 HydrophobicContact CB-CE1 3.78Å; N134-F263 HydrophobicContact CB-CG 3.67Å; N134-F263 HydrophobicContact CB-CZ 4.35Å; N134-F263 VanDerWaalsContact ND2-CB 3.3Å; N134-F263 WeakPolarHBondContact ND2-CB 3.24Å; N134-F263 WeakPolarHBondContact ND2-CG 3.41Å; N134-M273 HydrophobicContact CB-SD 4.39Å; N134-I278 WeakPolarHBondContact O-CA 3.49Å; N134-I278 WeakPolarHBondContact O-CB 3.38Å; N134-A279 HydrophobicContact CB-CB 4.42Å; N134-A279 PolarHBondContact O-N 3.12Å
135	N	95.6	Very high	94.5	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.021	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-102.6	3.4	169.9	-67	-57.6	0	0	0	113.2	D132 S133 T281 K283 G284	D132-N135 PolarHBondContact O-N 2.89Å; D132-N135 PolarHBondContact OD1-ND2 2.9Å; S133-N135 PolarHBondContact O-N 2.73Å; N135-T281 PolarHBondContact OD1-OG1 3.32Å; N135-K283 HydrophobicContact CB-CD 4.36Å; N135-K283 HydrophobicContact CB-CG 4.41Å; N135-G284 WeakPolarHBondContact O-CA 3.16Å
136	H	94.1	Very high	94.5	Very high	72 Å²	72	62.2 Å²	62.2	33%	0.333	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	43	-177.5	-57.1	101.1	0	0	0	112.2	D132 S133 S138 K283 Y287	D132-H136 PolarHBondContact O-ND1 2.87Å; D132-H136 IonicContact OD2-CE1 2.77Å; D132-H136 PolarHBondContact OD2-CE1 2.76Å; D132-H136 IonicContact OD2-ND1 3.36Å; S133-H136 CarbonylContact O-C 2.97Å; S133-H136 PolarHBondContact O-N 3.28Å; H136-S138 PolarHBondContact O-N 3.13Å; H136-K283 WeakPolarHBondContact NE2-CE 3.45Å; H136-Y287 VanDerWaalsContact CA-CD1 3.49Å; H136-Y287 HydrophobicContact CB-CD1 4.34Å; H136-Y287 HydrophobicContact CB-CE1 4.08Å; H136-Y287 AromaticContact CD2-CD2 3.83Å; H136-Y287 WeakPolarHBondContact O-CE1 3.38Å
137	G	90.1	Very high	94.4	Very high	7 Å²	7	61 Å²	61	7%	0.072	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	9.5	171.6	0	0	0	0	0	115.9	Y255	G137-Y255 WeakPolarHBondContact O-CE1 3.28Å
138	S	93.7	Very high	94.2	Very high	9 Å²	9	63.7 Å²	63.7	6%	0.063	31%	0.311	C	S	.	.			trans	61.6	-164	168.7	-153.4	0	0	0	0	113.9	S133 H136 M273 M277	S133-S138 WeakPolarHBondContact O-CA 3.44Å; S133-S138 PolarHBondContact O-N 2.94Å; H136-S138 PolarHBondContact O-N 3.13Å; S138-M273 WeakPolarHBondContact OG-CA 3.45Å; S138-M273 WeakPolarHBondContact OG-CB 3.35Å; S138-M273 WeakPolarHBondContact OG-CG 3.44Å; S138-M273 PolarHBondContact OG-O 3.29Å; S138-M273 VanDerWaalsContact OG-O 3.05Å; S138-M277 WeakPolarHBondContact CB-O 3.27Å; S138-M277 PolarHBondContact OG-O 3.1Å
139	H	95.5	Very high	94.2	Very high	61 Å²	61	58.6 Å²	58.6	28%	0.282	29%	0.291	S	S	.	.			trans	-133.2	59.6	177.9	-62.4	-57.1	0	0	0	112.1	D130 R141 M273	D130-H139 IonicContact OD1-CD2 3.44Å; D130-H139 IonicContact OD1-CE1 3.91Å; D130-H139 IonicContact OD1-NE2 2.74Å; D130-H139 PolarHBondContact OD1-NE2 2.76Å; D130-H139 IonicContact OD2-CD2 3.12Å; D130-H139 IonicContact OD2-NE2 3.97Å; D130-H139 PolarHBondContact OD2-NE2 2.78Å; H139-R141 PolarHBondContact O-N 2.89Å; H139-M273 CarbonylContact C-O 3.58Å; H139-M273 WeakPolarHBondContact CD2-CE 3.28Å; H139-M273 PolarHBondContact N-O 3.41Å
140	P	95.8	Very high	94.2	Very high	54 Å²	54	54.6 Å²	54.6	35%	0.351	26%	0.261	S	S	.	.			trans	-58.7	132.7	-175.7	23.9	-33.1	0	0	0	111.8	Y255 L274	P140-Y255 HydrophobicContact CG-CE1 4.33Å; P140-L274 CarbonylContact C-O 3.57Å; P140-L274 WeakPolarHBondContact CA-O 3.32Å
141	R	95.9	Very high	94	Very high	132 Å²	132	55.4 Å²	55.4	50%	0.498	26%	0.264	S	S	.	.			trans	-117.8	110.9	177.1	-62.1	-56	-176.5	168.5	-0.9	110.2	H139 F143 I144 R145 L274	H139-R141 PolarHBondContact O-N 2.89Å; R141-F143 VanDerWaalsContact C-N 3.27Å; R141-F143 HydrophobicContact CB-CD1 3.96Å; R141-F143 HydrophobicContact CB-CE1 3.75Å; R141-F143 HydrophobicContact CG-CE1 4.16Å; R141-F143 PolarHBondContact O-N 3.41Å; R141-I144 HydrophobicContact CB-CB 4.21Å; R141-I144 HydrophobicContact CB-CG1 3.88Å; R141-I144 WeakPolarHBondContact O-CB 3.35Å; R141-I144 PolarHBondContact O-N 3.09Å; R141-R145 PolarHBondContact O-N 3.39Å; R141-L274 HydrophobicContact CB-CD2 4.36Å; R141-L274 HydrophobicContact CG-CD2 3.49Å; R141-L274 VanDerWaalsContact CG-CD2 3.49Å; R141-L274 PolarHBondContact N-O 3.5Å
142	Q	93.6	Very high	94	Very high	92 Å²	92	50.1 Å²	50.1	43%	0.43	25%	0.245	S	C	.	.	H	α-helix	trans	-56.8	-39.9	-175.4	-168.9	64	4.2	0	0	113.2	I144 R145 C146	Q142-I144 VanDerWaalsContact C-N 3.28Å; Q142-I144 PolarHBondContact O-N 3.21Å; Q142-R145 PolarHBondContact O-N 3.23Å; Q142-C146 PolarHBondContact O-N 3.44Å; Q142-C146 PolarHBondContact O-SG 2.74Å
143	F	95.4	Very high	94	Very high	139 Å²	139	48.2 Å²	48.2	61%	0.61	24%	0.235	S	C	*	.	H	α-helix	trans	-63.2	-33.7	179.3	81.2	-89.5	0	0	0	112.8	R141 C146 L147	R141-F143 VanDerWaalsContact C-N 3.27Å; R141-F143 HydrophobicContact CB-CD1 3.96Å; R141-F143 HydrophobicContact CB-CE1 3.75Å; R141-F143 HydrophobicContact CG-CE1 4.16Å; R141-F143 PolarHBondContact O-N 3.41Å; F143-C146 PolarHBondContact O-N 2.77Å; F143-L147 PolarHBondContact O-N 3.22Å
144	I	96.1	Very high	93.8	Very high	25 Å²	25	47.2 Å²	47.2	13%	0.128	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-44.2	175.3	-63.7	-66.3	0	0	0	109.9	R141 Q142 C146 L147 W150 L274 F275	R141-I144 HydrophobicContact CB-CB 4.21Å; R141-I144 HydrophobicContact CB-CG1 3.88Å; R141-I144 WeakPolarHBondContact O-CB 3.35Å; R141-I144 PolarHBondContact O-N 3.09Å; Q142-I144 VanDerWaalsContact C-N 3.28Å; Q142-I144 PolarHBondContact O-N 3.21Å; I144-C146 PolarHBondContact O-N 3.32Å; I144-L147 HydrophobicContact CD1-CD1 4.18Å; I144-L147 HydrophobicContact CG2-CD1 4.45Å; I144-L147 VanDerWaalsContact O-CG 3.32Å; I144-L147 WeakPolarHBondContact O-CG 3.47Å; I144-L147 PolarHBondContact O-N 3.09Å; I144-W150 PolarHBondContact O-NE1 3.36Å; I144-L274 HydrophobicContact CG1-CB 4.38Å; I144-L274 HydrophobicContact CG1-CD1 4.32Å; I144-L274 HydrophobicContact CG2-CB 4.2Å; I144-F275 HydrophobicContact CG2-CD1 4.24Å; I144-F275 HydrophobicContact CG2-CE1 3.67Å; I144-F275 HydrophobicContact CG2-CE2 4.19Å; I144-F275 HydrophobicContact CG2-CZ 3.63Å
145	R	95.4	Very high	93.6	Very high	9 Å²	9	48.7 Å²	48.7	3%	0.034	24%	0.236	C	C	.	.	H	α-helix	trans	-62.8	-26.9	178.1	-58.8	179	64.1	-120.7	-7.7	112.7	R141 Q142 W150 F238 A239 T240 E241	R141-R145 PolarHBondContact O-N 3.39Å; Q142-R145 PolarHBondContact O-N 3.23Å; R145-W150 VanDerWaalsContact O-CD1 3.27Å; R145-F238 PolarHBondContact NH2-O 2.73Å; R145-A239 VanDerWaalsContact CG-O 3.32Å; R145-A239 WeakPolarHBondContact CG-O 3.42Å; R145-A239 PolarHBondContact NE-O 2.73Å; R145-T240 PolarHBondContact NH2-O 2.91Å; R145-E241 HydrophobicContact CB-CG 4.25Å; R145-E241 IonicContact CZ-OE1 3.91Å; R145-E241 IonicContact NH1-OE1 2.92Å; R145-E241 PolarHBondContact NH1-OE1 3.02Å; R145-E241 IonicContact NH2-OE1 3.07Å; R145-E241 PolarHBondContact NH2-OE1 3.3Å; R145-E241 PolarHBondContact O-N 3.34Å
146	C	94.8	Very high	93.5	Very high	68 Å²	68	48.6 Å²	48.6	46%	0.459	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	6	179.6	-64.1	0	0	0	0	114.9	Q142 F143 I144	Q142-C146 PolarHBondContact O-N 3.44Å; Q142-C146 PolarHBondContact O-SG 2.74Å; F143-C146 PolarHBondContact O-N 2.77Å; I144-C146 PolarHBondContact O-N 3.32Å
147	L	94.5	Very high	93.4	Very high	74 Å²	74	45.1 Å²	45.1	39%	0.387	22%	0.219	S	C	.	.			trans	-62	142.1	-179.4	-67.4	172.3	0	0	0	111.9	F143 I144 I149 W150	F143-L147 PolarHBondContact O-N 3.22Å; I144-L147 HydrophobicContact CD1-CD1 4.18Å; I144-L147 HydrophobicContact CG2-CD1 4.45Å; I144-L147 VanDerWaalsContact O-CG 3.32Å; I144-L147 WeakPolarHBondContact O-CG 3.47Å; I144-L147 PolarHBondContact O-N 3.09Å; L147-I149 HydrophobicContact CB-CG2 3.89Å; L147-I149 PolarHBondContact O-N 3.45Å; L147-I149 VanDerWaalsContact O-N 3.08Å; L147-W150 PolarHBondContact O-N 3.02Å; L147-W150 VanDerWaalsContact O-N 3.1Å
148	K	90.2	Very high	93.5	Very high	92 Å²	92	47.2 Å²	47.2	40%	0.4	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-27.2	-176.9	-164.9	65.9	179.7	-179	0	113.9	R31 W150 E151 F152	R31-K148 VanDerWaalsContact NH2-CE 3.25Å; K148-W150 PolarHBondContact O-N 3.37Å; K148-E151 HydrophobicContact CD-CG 4.5Å; K148-E151 VanDerWaalsContact CD-OE1 3.3Å; K148-E151 WeakPolarHBondContact CD-OE1 3.44Å; K148-E151 WeakPolarHBondContact CE-OE2 3.18Å; K148-E151 IonicContact NZ-OE1 3.59Å; K148-E151 PolarHBondContact NZ-OE1 3.43Å; K148-E151 IonicContact NZ-OE2 2.92Å; K148-E151 PolarHBondContact NZ-OE2 2.79Å; K148-E151 WeakPolarHBondContact O-CB 3.4Å; K148-E151 PolarHBondContact O-N 3.23Å; K148-E151 VanDerWaalsContact O-N 3.08Å; K148-F152 HydrophobicContact CG-CE2 4.18Å; K148-F152 PolarHBondContact O-N 2.93Å
149	I	93.5	Very high	93.4	Very high	53 Å²	53	46.8 Å²	46.8	27%	0.272	23%	0.228	S	C	.	.	H	α-helix	trans	-55.1	-36.8	177.6	-167.1	167.3	0	0	0	112	T52 L147 E151 F152 L153	T52-I149 HydrophobicContact CG2-CD1 4.12Å; T52-I149 HydrophobicContact CG2-CG1 3.37Å; T52-I149 WeakPolarHBondContact CG2-O 3.38Å; L147-I149 HydrophobicContact CB-CG2 3.89Å; L147-I149 PolarHBondContact O-N 3.45Å; L147-I149 VanDerWaalsContact O-N 3.08Å; I149-E151 VanDerWaalsContact C-N 3.31Å; I149-E151 PolarHBondContact O-N 3.08Å; I149-F152 WeakPolarHBondContact O-CB 3.37Å; I149-F152 PolarHBondContact O-N 3.31Å; I149-F152 VanDerWaalsContact O-N 3.17Å; I149-L153 PolarHBondContact O-N 3.29Å; I149-L153 VanDerWaalsContact O-N 3.14Å
150	W	94.2	Very high	93.2	Very high	21 Å²	21	45.2 Å²	45.2	8%	0.08	22%	0.221	C	C	.	.	H	α-helix	trans	-69.2	-29.9	179.8	-47	127.6	0	0	0	112.8	I144 R145 L147 K148 L153 A154 F235 I236 T240 A242 F275	I144-W150 PolarHBondContact O-NE1 3.36Å; R145-W150 VanDerWaalsContact O-CD1 3.27Å; L147-W150 PolarHBondContact O-N 3.02Å; L147-W150 VanDerWaalsContact O-N 3.1Å; K148-W150 PolarHBondContact O-N 3.37Å; W150-L153 HydrophobicContact CE3-CD2 4.38Å; W150-L153 PolarHBondContact O-N 2.8Å; W150-A154 WeakPolarHBondContact O-CB 3.41Å; W150-A154 PolarHBondContact O-N 2.98Å; W150-F235 AromaticContact CE3-CE1 3.89Å; W150-F235 HydrophobicContact CE3-CE1 3.89Å; W150-F235 HydrophobicContact CE3-CZ 4.31Å; W150-F235 HydrophobicContact CH2-CZ 4.23Å; W150-F235 AromaticContact CZ3-CE1 3.8Å; W150-F235 HydrophobicContact CZ3-CE1 3.8Å; W150-F235 AromaticContact CZ3-CZ 3.97Å; W150-F235 HydrophobicContact CZ3-CZ 3.97Å; W150-I236 HydrophobicContact CB-CD1 4.39Å; W150-T240 HydrophobicContact CB-CG2 4.14Å; W150-T240 HydrophobicContact CD2-CG2 3.87Å; W150-T240 HydrophobicContact CE3-CG2 4.34Å; W150-T240 HydrophobicContact CG-CG2 3.73Å; W150-A242 HydrophobicContact CB-CB 3.73Å; W150-A242 WeakPolarHBondContact O-CB 3.34Å; W150-F275 AromaticContact CE2-CE1 3.63Å; W150-F275 AromaticContact CH2-CE1 3.97Å; W150-F275 HydrophobicContact CH2-CE1 3.97Å; W150-F275 AromaticContact CH2-CZ 3.75Å; W150-F275 HydrophobicContact CH2-CZ 3.75Å; W150-F275 AromaticContact CZ2-CE1 3.32Å; W150-F275 HydrophobicContact CZ2-CE1 3.32Å; W150-F275 AromaticContact CZ2-CZ 3.34Å; W150-F275 HydrophobicContact CZ2-CZ 3.34Å; W150-F275 AromaticContact NE1-CE1 3.88Å
151	E	90.2	Very high	93	Very high	36 Å²	36	42.9 Å²	42.9	17%	0.168	21%	0.206	C	C	.	.	H	α-helix	trans	-66	-40	172.6	-68.6	-175.7	-128.1	0	0	111.5	R30 R31 K148 I149 L153 A154 D155	R30-E151 PolarHBondContact NH2-O 3.25Å; R31-E151 IonicContact CZ-OE2 3.73Å; R31-E151 IonicContact NH2-OE2 3.97Å; R31-E151 PolarHBondContact NH2-OE2 3.04Å; K148-E151 HydrophobicContact CD-CG 4.5Å; K148-E151 VanDerWaalsContact CD-OE1 3.3Å; K148-E151 WeakPolarHBondContact CD-OE1 3.44Å; K148-E151 WeakPolarHBondContact CE-OE2 3.18Å; K148-E151 IonicContact NZ-OE1 3.59Å; K148-E151 PolarHBondContact NZ-OE1 3.43Å; K148-E151 IonicContact NZ-OE2 2.92Å; K148-E151 PolarHBondContact NZ-OE2 2.79Å; K148-E151 WeakPolarHBondContact O-CB 3.4Å; K148-E151 PolarHBondContact O-N 3.23Å; K148-E151 VanDerWaalsContact O-N 3.08Å; I149-E151 VanDerWaalsContact C-N 3.31Å; I149-E151 PolarHBondContact O-N 3.08Å; E151-L153 VanDerWaalsContact C-N 3.33Å; E151-L153 PolarHBondContact O-N 3.37Å; E151-A154 CarbonylContact O-C 3.55Å; E151-A154 PolarHBondContact O-N 2.78Å; E151-D155 WeakPolarHBondContact O-CB 3.31Å; E151-D155 PolarHBondContact O-N 2.89Å
152	F	92.4	Very high	92.7	Very high	36 Å²	36	36.6 Å²	36.6	16%	0.158	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-40.3	175	-70	-59.5	0	0	0	111.8	F48 Q49 T52 K148 I149 D155 Y156	F48-F152 HydrophobicContact CB-CD1 4.32Å; F48-F152 HydrophobicContact CB-CD2 4.41Å; F48-F152 HydrophobicContact CB-CE1 4.15Å; F48-F152 HydrophobicContact CB-CE2 4.26Å; F48-F152 HydrophobicContact CB-CG 4.45Å; F48-F152 HydrophobicContact CB-CZ 4.13Å; F48-F152 HydrophobicContact CD1-CE2 4.43Å; F48-F152 HydrophobicContact CG-CZ 4.5Å; Q49-F152 HydrophobicContact CG-CB 4.16Å; Q49-F152 HydrophobicContact CG-CD1 4.03Å; T52-F152 HydrophobicContact CG2-CB 4.37Å; K148-F152 HydrophobicContact CG-CE2 4.18Å; K148-F152 PolarHBondContact O-N 2.93Å; I149-F152 WeakPolarHBondContact O-CB 3.37Å; I149-F152 PolarHBondContact O-N 3.31Å; I149-F152 VanDerWaalsContact O-N 3.17Å; F152-D155 PolarHBondContact O-N 3.25Å; F152-Y156 WeakPolarHBondContact O-CB 3.42Å; F152-Y156 PolarHBondContact O-N 2.97Å
153	L	92.7	Very high	92.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-44.2	175.8	-172.6	54.6	0	0	0	111.4	T52 V53 Y56 I149 W150 E151 D155 Y156 F157 F235 I236	T52-L153 HydrophobicContact CG2-CB 3.88Å; V53-L153 HydrophobicContact CB-CD1 4.16Å; V53-L153 HydrophobicContact CG2-CD1 3.44Å; V53-L153 VanDerWaalsContact CG2-CD1 3.44Å; Y56-L153 HydrophobicContact CD1-CD1 4.29Å; Y56-L153 HydrophobicContact CD1-CD2 4.18Å; Y56-L153 HydrophobicContact CD2-CD2 3.69Å; Y56-L153 HydrophobicContact CE2-CD2 4.24Å; Y56-L153 HydrophobicContact CG-CD1 4.35Å; Y56-L153 HydrophobicContact CG-CD2 3.66Å; I149-L153 PolarHBondContact O-N 3.29Å; I149-L153 VanDerWaalsContact O-N 3.14Å; W150-L153 HydrophobicContact CE3-CD2 4.38Å; W150-L153 PolarHBondContact O-N 2.8Å; E151-L153 VanDerWaalsContact C-N 3.33Å; E151-L153 PolarHBondContact O-N 3.37Å; L153-D155 VanDerWaalsContact C-N 3.31Å; L153-D155 PolarHBondContact O-N 3.35Å; L153-Y156 PolarHBondContact O-N 2.99Å; L153-F157 HydrophobicContact CD1-CD2 3.91Å; L153-F157 HydrophobicContact CD1-CE2 3.66Å; L153-F157 PolarHBondContact O-N 2.79Å; L153-F157 VanDerWaalsContact O-N 3.14Å; L153-F235 HydrophobicContact CD2-CE1 4.42Å; L153-I236 HydrophobicContact CB-CD1 4.06Å; L153-I236 HydrophobicContact CD2-CD1 3.58Å; L153-I236 HydrophobicContact CD2-CG1 4.09Å; L153-I236 HydrophobicContact CG-CD1 3.85Å; L153-I236 HydrophobicContact CG-CG1 4.16Å
154	A	92.2	Very high	92.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-75.5	-13.7	177.6	0	0	0	0	0	114.5	R30 W150 E151 F157 P158 I159 I236 A242	R30-A154 VanDerWaalsContact CZ-O 3.3Å; R30-A154 VanDerWaalsContact NH1-CB 3.3Å; R30-A154 PolarHBondContact NH2-O 2.91Å; W150-A154 WeakPolarHBondContact O-CB 3.41Å; W150-A154 PolarHBondContact O-N 2.98Å; E151-A154 CarbonylContact O-C 3.55Å; E151-A154 PolarHBondContact O-N 2.78Å; A154-F157 CarbonylContact C-O 3.4Å; A154-F157 WeakPolarHBondContact CA-O 3.11Å; A154-F157 CarbonylContact O-C 3.54Å; A154-P158 WeakPolarHBondContact O-CA 3.33Å; A154-I159 HydrophobicContact CB-CB 4.38Å; A154-I159 PolarHBondContact O-N 2.69Å; A154-I236 HydrophobicContact CB-CG2 3.79Å; A154-A242 HydrophobicContact CB-CB 3.94Å
155	D	90.5	Very high	91.9	Very high	38 Å²	38	29.2 Å²	29.2	20%	0.203	15%	0.147	C	C	.	.	H	α-helix	trans	-88.3	-31.3	170.6	-78.7	-30.1	0	0	0	110.2	R30 E151 F152 L153	R30-D155 IonicContact CZ-OD1 2.68Å; R30-D155 IonicContact NE-OD1 2.79Å; R30-D155 PolarHBondContact NE-OD1 3.19Å; R30-D155 IonicContact NH2-OD1 2.69Å; R30-D155 PolarHBondContact NH2-OD1 2.59Å; R30-D155 IonicContact NH2-OD2 3.26Å; E151-D155 WeakPolarHBondContact O-CB 3.31Å; E151-D155 PolarHBondContact O-N 2.89Å; F152-D155 PolarHBondContact O-N 3.25Å; L153-D155 VanDerWaalsContact C-N 3.31Å; L153-D155 PolarHBondContact O-N 3.35Å
156	Y	93.1	Very high	91.6	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-68	-49.8	177.9	-179.5	-84.5	0	0	0	112.2	Q49 N50 V53 F152 L153 P158 R384 P388 R390	Q49-Y156 HydrophobicContact CB-CD2 3.93Å; N50-Y156 WeakPolarHBondContact OD1-CE2 3.35Å; V53-Y156 HydrophobicContact CB-CD1 4.48Å; V53-Y156 HydrophobicContact CB-CE1 4.43Å; V53-Y156 HydrophobicContact CB-CE2 4.44Å; V53-Y156 HydrophobicContact CG1-CD1 4.36Å; V53-Y156 HydrophobicContact CG1-CE1 4.01Å; V53-Y156 HydrophobicContact CG2-CD1 3.48Å; V53-Y156 VanDerWaalsContact CG2-CD1 3.48Å; V53-Y156 HydrophobicContact CG2-CD2 3.66Å; V53-Y156 HydrophobicContact CG2-CE1 3.89Å; V53-Y156 HydrophobicContact CG2-CE2 3.96Å; V53-Y156 HydrophobicContact CG2-CG 3.34Å; F152-Y156 WeakPolarHBondContact O-CB 3.42Å; F152-Y156 PolarHBondContact O-N 2.97Å; L153-Y156 PolarHBondContact O-N 2.99Å; Y156-P158 WeakPolarHBondContact O-CD 3.27Å; Y156-R384 PolarHBondContact OH-NH2 3.49Å; Y156-P388 HydrophobicContact CE1-CB 4.39Å; Y156-P388 PolarHBondContact OH-O 3.11Å; Y156-R390 HydrophobicContact CD1-CG 4.02Å; Y156-R390 HydrophobicContact CD2-CG 4.09Å; Y156-R390 HydrophobicContact CE1-CG 3.67Å; Y156-R390 HydrophobicContact CE2-CG 3.83Å; Y156-R390 VanDerWaalsContact CE2-NH2 3.3Å; Y156-R390 HydrophobicContact CG-CG 4.23Å
157	F	92.7	Very high	91.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	106.3	161.8	-49.8	-73.1	0	0	0	104.1	V53 L153 A154 I159 T232 L351 P388 Y389	V53-F157 HydrophobicContact CG1-CE2 4.03Å; V53-F157 HydrophobicContact CG1-CZ 3.96Å; V53-F157 HydrophobicContact CG2-CE2 4.14Å; L153-F157 HydrophobicContact CD1-CD2 3.91Å; L153-F157 HydrophobicContact CD1-CE2 3.66Å; L153-F157 PolarHBondContact O-N 2.79Å; L153-F157 VanDerWaalsContact O-N 3.14Å; A154-F157 CarbonylContact C-O 3.4Å; A154-F157 WeakPolarHBondContact CA-O 3.11Å; A154-F157 CarbonylContact O-C 3.54Å; F157-I159 HydrophobicContact CB-CD1 3.76Å; F157-I159 HydrophobicContact CB-CG1 3.74Å; F157-I159 HydrophobicContact CD2-CD1 4.31Å; F157-I159 HydrophobicContact CG-CD1 4.46Å; F157-I159 VanDerWaalsContact O-CG1 3.27Å; F157-I159 WeakPolarHBondContact O-CG1 3.14Å; F157-I159 PolarHBondContact O-N 3.43Å; F157-T232 HydrophobicContact CD2-CG2 3.88Å; F157-T232 HydrophobicContact CE2-CG2 3.91Å; F157-L351 HydrophobicContact CD1-CD1 4.05Å; F157-L351 HydrophobicContact CD1-CD2 3.39Å; F157-L351 HydrophobicContact CD1-CG 4.25Å; F157-L351 HydrophobicContact CE1-CB 4.3Å; F157-L351 HydrophobicContact CE1-CD1 3.97Å; F157-L351 HydrophobicContact CE1-CD2 3.69Å; F157-L351 HydrophobicContact CE1-CG 4.19Å; F157-L351 HydrophobicContact CG-CD1 4.47Å; F157-L351 HydrophobicContact CG-CD2 4.3Å; F157-L351 HydrophobicContact CZ-CD1 4.37Å; F157-P388 HydrophobicContact CE1-CB 3.54Å; F157-P388 HydrophobicContact CE1-CG 4.35Å; F157-P388 HydrophobicContact CZ-CB 3.46Å; F157-P388 VanDerWaalsContact CZ-CB 3.46Å; F157-P388 HydrophobicContact CZ-CG 3.75Å; F157-Y389 VanDerWaalsContact CE1-O 3.32Å; F157-Y389 WeakPolarHBondContact CE1-O 3.36Å
158	P	90.8	Very high	90.9	Very high	50 Å²	50	26.2 Å²	26.2	33%	0.325	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	86	176.9	-24.9	34.2	0	0	0	110.1	A154 Y156 H160 P392 V393	A154-P158 WeakPolarHBondContact O-CA 3.33Å; Y156-P158 WeakPolarHBondContact O-CD 3.27Å; P158-H160 PolarHBondContact O-CD2 3.25Å; P158-H160 VanDerWaalsContact O-CD2 3.29Å; P158-P392 HydrophobicContact CB-CB 4.13Å; P158-P392 HydrophobicContact CG-CB 4.48Å; P158-P392 WeakPolarHBondContact O-CA 3.37Å; P158-V393 PolarHBondContact O-N 3.1Å
159	I	92.6	Very high	90.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128.6	-171.8	-70.9	157.7	0	0	0	107.5	A154 F157 T232 I236 N237 T243 V393	A154-I159 HydrophobicContact CB-CB 4.38Å; A154-I159 PolarHBondContact O-N 2.69Å; F157-I159 HydrophobicContact CB-CD1 3.76Å; F157-I159 HydrophobicContact CB-CG1 3.74Å; F157-I159 HydrophobicContact CD2-CD1 4.31Å; F157-I159 HydrophobicContact CG-CD1 4.46Å; F157-I159 VanDerWaalsContact O-CG1 3.27Å; F157-I159 WeakPolarHBondContact O-CG1 3.14Å; F157-I159 PolarHBondContact O-N 3.43Å; I159-T232 HydrophobicContact CD1-CG2 4.04Å; I159-I236 HydrophobicContact CB-CG2 4.07Å; I159-I236 HydrophobicContact CD1-CB 3.84Å; I159-I236 HydrophobicContact CD1-CG1 3.69Å; I159-I236 HydrophobicContact CD1-CG2 3.89Å; I159-I236 HydrophobicContact CG2-CB 4.27Å; I159-I236 HydrophobicContact CG2-CG2 3.69Å; I159-N237 WeakPolarHBondContact CG2-ND2 3.49Å; I159-N237 WeakPolarHBondContact CG2-OD1 3.47Å; I159-T243 HydrophobicContact CG2-CG2 4.03Å; I159-T243 VanDerWaalsContact O-CG2 3.28Å; I159-T243 WeakPolarHBondContact O-CG2 3.36Å; I159-V393 CarbonylContact C-O 3.51Å; I159-V393 VanDerWaalsContact CA-O 3.28Å; I159-V393 WeakPolarHBondContact CA-O 3.48Å; I159-V393 HydrophobicContact CG1-CB 3.83Å; I159-V393 HydrophobicContact CG1-CG1 4.46Å; I159-V393 HydrophobicContact CG1-CG2 4.31Å
160	H	90.1	Very high	90.5	Very high	28 Å²	28	25.9 Å²	25.9	13%	0.13	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134	178.4	-64.1	-91.6	0	0	0	110.2	I27 P158 V162 V393 Y394 T395	I27-H160 HydrophobicContact CG2-CB 4.36Å; I27-H160 VanDerWaalsContact CG2-ND1 3.26Å; I27-H160 WeakPolarHBondContact CG2-ND1 3.39Å; P158-H160 PolarHBondContact O-CD2 3.25Å; P158-H160 VanDerWaalsContact O-CD2 3.29Å; H160-V162 HydrophobicContact CB-CG2 4.18Å; H160-V393 PolarHBondContact N-O 3.42Å; H160-Y394 HydrophobicContact CB-CD1 3.72Å; H160-Y394 HydrophobicContact CB-CE1 4.1Å; H160-Y394 AromaticContact CD2-CD1 3.9Å; H160-Y394 AromaticContact CD2-CE1 3.43Å; H160-Y394 VanDerWaalsContact CD2-CE1 3.43Å; H160-Y394 WeakPolarHBondContact CD2-CE1 3.45Å; H160-Y394 AromaticContact CG-CD1 3.99Å; H160-Y394 AromaticContact CG-CE1 3.83Å; H160-T395 PolarHBondContact O-N 3.02Å
161	L	92	Very high	90	Very high	5 Å²	5	26 Å²	26	3%	0.026	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.8	161.2	-179.6	61	0	0	0	107.2	N237 F238 F245 F249 T395 V397	L161-N237 HydrophobicContact CD1-CB 4.29Å; L161-F238 HydrophobicContact CD1-CE1 4.14Å; L161-F238 HydrophobicContact CD1-CZ 4.16Å; L161-F245 HydrophobicContact CD2-CD2 4.25Å; L161-F249 HydrophobicContact CD2-CE2 4.26Å; L161-T395 HydrophobicContact CD1-CG2 4.46Å; L161-V397 HydrophobicContact CD1-CG2 3.67Å
162	V	91	Very high	89.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.1	-175.4	-178.8	0	0	0	0	108.2	E25 I27 H160 Y394 T395 V396 V397 Y432 Y436	E25-V162 HydrophobicContact CB-CG1 4.25Å; I27-V162 HydrophobicContact CD1-CG2 4.23Å; I27-V162 HydrophobicContact CG1-CG2 4.3Å; H160-V162 HydrophobicContact CB-CG2 4.18Å; V162-Y394 HydrophobicContact CG2-CD1 4.33Å; V162-T395 PolarHBondContact N-O 2.92Å; V162-V396 HydrophobicContact CB-CG2 4.13Å; V162-V396 HydrophobicContact CG1-CG1 4.37Å; V162-V396 HydrophobicContact CG1-CG2 4.32Å; V162-V396 CarbonylContact O-C 3.55Å; V162-V396 WeakPolarHBondContact O-CA 3Å; V162-V397 PolarHBondContact O-N 3.07Å; V162-Y432 HydrophobicContact CG1-CE1 4.43Å; V162-Y436 HydrophobicContact CG1-CE2 4.32Å; V162-Y436 HydrophobicContact CG2-CE2 4.31Å
163	I	90	Very high	89.5	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.026	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.3	172.1	-55.9	-48.5	0	0	0	108.7	V26 F167 I168 V248 F249 V397	V26-I163 HydrophobicContact CB-CB 4.28Å; V26-I163 HydrophobicContact CB-CG1 4.21Å; I163-F167 HydrophobicContact CG2-CB 3.76Å; I163-F167 HydrophobicContact CG2-CD1 3.26Å; I163-F167 HydrophobicContact CG2-CE1 4.02Å; I163-F167 HydrophobicContact CG2-CG 3.63Å; I163-I168 HydrophobicContact CG2-CG1 3.96Å; I163-V248 HydrophobicContact CD1-CG1 3.55Å; I163-V248 HydrophobicContact CG1-CG1 3.34Å; I163-F249 HydrophobicContact CD1-CE1 4.22Å; I163-F249 HydrophobicContact CD1-CE2 3.7Å; I163-F249 HydrophobicContact CD1-CZ 3.32Å; I163-F249 HydrophobicContact CG1-CZ 4.45Å; I163-V397 HydrophobicContact CD1-CB 4.04Å; I163-V397 HydrophobicContact CD1-CG2 4.26Å
164	S	90.5	Very high	89.1	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.			trans	-64.3	154.4	-177.6	61.9	0	0	0	0	112.3	E166 F167 I168 V397 G398 Y432	S164-E166 VanDerWaalsContact C-N 3.26Å; S164-E166 PolarHBondContact O-N 2.66Å; S164-F167 WeakPolarHBondContact O-CB 3.47Å; S164-F167 PolarHBondContact O-N 2.9Å; S164-F167 VanDerWaalsContact O-N 3.11Å; S164-F167 VanDerWaalsContact OG-CB 3.24Å; S164-F167 WeakPolarHBondContact OG-CB 3.49Å; S164-F167 PolarHBondContact OG-N 3.4Å; S164-F167 VanDerWaalsContact OG-N 3.16Å; S164-I168 WeakPolarHBondContact O-CG1 3.46Å; S164-I168 PolarHBondContact O-N 2.82Å; S164-V397 VanDerWaalsContact CB-O 3.23Å; S164-V397 WeakPolarHBondContact CB-O 3.42Å; S164-V397 PolarHBondContact N-O 3.29Å; S164-V397 PolarHBondContact OG-O 3.36Å; S164-G398 WeakPolarHBondContact OG-CA 3.37Å; S164-Y432 VanDerWaalsContact CA-OH 3.24Å; S164-Y432 WeakPolarHBondContact CA-OH 3.45Å
165	K	87.4	Confident	88.6	Confident	97 Å²	97	36.7 Å²	36.7	42%	0.422	18%	0.177	S	C	.	.	H	α-helix	trans	-57.7	-42.3	173.7	-68.2	176	-178.8	-179.9	0	111.4	K23 F167 I168 I169 Y432	K23-K165 WeakPolarHBondContact O-CE 3.5Å; K165-F167 VanDerWaalsContact C-N 3.28Å; K165-F167 PolarHBondContact O-N 3.36Å; K165-I168 PolarHBondContact O-N 2.86Å; K165-I169 WeakPolarHBondContact O-CG1 3.13Å; K165-I169 PolarHBondContact O-N 3.33Å; K165-Y432 PolarHBondContact N-OH 2.9Å
166	E	87.5	Confident	88.3	Confident	43 Å²	43	41 Å²	41	20%	0.201	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-40.7	176.4	-59.2	-177.3	128	0	0	111.7	S164 Y170 A399	S164-E166 VanDerWaalsContact C-N 3.26Å; S164-E166 PolarHBondContact O-N 2.66Å; E166-Y170 VanDerWaalsContact O-CB 3.32Å; E166-Y170 WeakPolarHBondContact O-CB 3.46Å; E166-Y170 PolarHBondContact O-N 3.39Å; E166-A399 HydrophobicContact CB-CB 4.01Å
167	F	89.4	Confident	87.8	Confident	8 Å²	8	46.2 Å²	46.2	4%	0.035	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-43	176.3	-175	-70.9	0	0	0	111.6	I163 S164 K165 Y170 N171 L214 F249 V397 G398 P400	I163-F167 HydrophobicContact CG2-CB 3.76Å; I163-F167 HydrophobicContact CG2-CD1 3.26Å; I163-F167 HydrophobicContact CG2-CE1 4.02Å; I163-F167 HydrophobicContact CG2-CG 3.63Å; S164-F167 WeakPolarHBondContact O-CB 3.47Å; S164-F167 PolarHBondContact O-N 2.9Å; S164-F167 VanDerWaalsContact O-N 3.11Å; S164-F167 VanDerWaalsContact OG-CB 3.24Å; S164-F167 WeakPolarHBondContact OG-CB 3.49Å; S164-F167 PolarHBondContact OG-N 3.4Å; S164-F167 VanDerWaalsContact OG-N 3.16Å; K165-F167 VanDerWaalsContact C-N 3.28Å; K165-F167 PolarHBondContact O-N 3.36Å; F167-Y170 WeakPolarHBondContact O-CB 3.49Å; F167-Y170 PolarHBondContact O-N 2.91Å; F167-N171 WeakPolarHBondContact O-CB 3.31Å; F167-N171 PolarHBondContact O-N 3.08Å; F167-L214 HydrophobicContact CE1-CD1 4.3Å; F167-L214 HydrophobicContact CE1-CG 4.32Å; F167-L214 HydrophobicContact CE2-CD1 3.74Å; F167-L214 HydrophobicContact CE2-CG 4.47Å; F167-L214 HydrophobicContact CZ-CD1 3.26Å; F167-L214 HydrophobicContact CZ-CD2 4.13Å; F167-L214 HydrophobicContact CZ-CG 3.72Å; F167-F249 HydrophobicContact CE1-CE1 4.1Å; F167-F249 HydrophobicContact CE2-CE1 4.15Å; F167-F249 AromaticContact CZ-CE1 3.54Å; F167-F249 HydrophobicContact CZ-CE1 3.54Å; F167-F249 HydrophobicContact CZ-CZ 4.25Å; F167-V397 HydrophobicContact CD2-CG1 4.31Å; F167-V397 HydrophobicContact CE2-CG1 4.41Å; F167-G398 WeakPolarHBondContact CD2-O 3.27Å; F167-P400 HydrophobicContact CD2-CG 4.36Å; F167-P400 HydrophobicContact CE2-CG 4.01Å
168	I	85.4	Confident	87.2	Confident	37 Å²	37	49.1 Å²	49.1	19%	0.19	24%	0.235	C	C	.	.	H	α-helix	trans	-60.9	-49.3	178.2	-64.4	170.2	0	0	0	110	G24 V26 I163 S164 K165 Y170 N171 E172	G24-I168 WeakPolarHBondContact O-CD1 3.49Å; V26-I168 HydrophobicContact CG2-CD1 4.37Å; I163-I168 HydrophobicContact CG2-CG1 3.96Å; S164-I168 WeakPolarHBondContact O-CG1 3.46Å; S164-I168 PolarHBondContact O-N 2.82Å; K165-I168 PolarHBondContact O-N 2.86Å; I168-Y170 VanDerWaalsContact C-N 3.34Å; I168-Y170 PolarHBondContact O-N 2.84Å; I168-N171 WeakPolarHBondContact O-CB 3.45Å; I168-N171 PolarHBondContact O-N 2.92Å; I168-N171 VanDerWaalsContact O-N 3.1Å; I168-E172 WeakPolarHBondContact O-CG 3.45Å; I168-E172 PolarHBondContact O-N 3.38Å
169	I	87.3	Confident	86.7	Confident	92 Å²	92	52 Å²	52	47%	0.472	24%	0.244	S	C	.	.	H	α-helix	trans	-58.4	-45.7	176.9	-66.7	165.2	0	0	0	110.8	K165 N171 E172 I173	K165-I169 WeakPolarHBondContact O-CG1 3.13Å; K165-I169 PolarHBondContact O-N 3.33Å; I169-N171 VanDerWaalsContact C-N 3.29Å; I169-N171 PolarHBondContact O-N 2.89Å; I169-E172 PolarHBondContact O-N 2.89Å; I169-I173 HydrophobicContact CG2-CD1 3.79Å; I169-I173 HydrophobicContact CG2-CG1 4.44Å; I169-I173 WeakPolarHBondContact O-CG1 3.4Å; I169-I173 PolarHBondContact O-N 3.41Å
170	Y	88	Confident	86	Confident	45 Å²	45	58 Å²	58	18%	0.176	27%	0.272	C	S	.	.	H	α-helix	trans	-56.7	-44.7	175.9	177.1	-83.5	0	0	0	111.5	E166 F167 I168 I173 Y174 L214 P400 Q402	E166-Y170 VanDerWaalsContact O-CB 3.32Å; E166-Y170 WeakPolarHBondContact O-CB 3.46Å; E166-Y170 PolarHBondContact O-N 3.39Å; F167-Y170 WeakPolarHBondContact O-CB 3.49Å; F167-Y170 PolarHBondContact O-N 2.91Å; I168-Y170 VanDerWaalsContact C-N 3.34Å; I168-Y170 PolarHBondContact O-N 2.84Å; Y170-I173 PolarHBondContact O-N 3.42Å; Y170-Y174 WeakPolarHBondContact O-CB 3.37Å; Y170-Y174 PolarHBondContact O-N 3.04Å; Y170-L214 HydrophobicContact CD1-CD2 3.6Å; Y170-L214 HydrophobicContact CE1-CD2 3.36Å; Y170-P400 HydrophobicContact CD1-CG 4.22Å; Y170-P400 HydrophobicContact CE1-CB 4.44Å; Y170-P400 HydrophobicContact CE1-CG 4.02Å; Y170-Q402 PolarHBondContact OH-NE2 3.22Å
171	N	85	Confident	85.4	Confident	24 Å²	24	59.1 Å²	59.1	13%	0.128	28%	0.283	C	S	.	.	H	α-helix	trans	-67.7	-37.7	180	-171.7	51.1	0	0	0	112.3	F167 I168 I169 Y174 K175 L214	F167-N171 WeakPolarHBondContact O-CB 3.31Å; F167-N171 PolarHBondContact O-N 3.08Å; I168-N171 WeakPolarHBondContact O-CB 3.45Å; I168-N171 PolarHBondContact O-N 2.92Å; I168-N171 VanDerWaalsContact O-N 3.1Å; I169-N171 VanDerWaalsContact C-N 3.29Å; I169-N171 PolarHBondContact O-N 2.89Å; N171-Y174 PolarHBondContact O-N 2.88Å; N171-K175 WeakPolarHBondContact O-CG 3.47Å; N171-K175 PolarHBondContact O-N 3.17Å; N171-L214 PolarHBondContact OD1-N 2.93Å
172	E	85.2	Confident	84.5	Confident	106 Å²	106	64.9 Å²	64.9	50%	0.495	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-47.4	174.8	-72.7	177.7	175.5	0	0	111.9	I168 I169 Y174 K175 Q176	I168-E172 WeakPolarHBondContact O-CG 3.45Å; I168-E172 PolarHBondContact O-N 3.38Å; I169-E172 PolarHBondContact O-N 2.89Å; E172-Y174 VanDerWaalsContact C-N 3.31Å; E172-Y174 PolarHBondContact O-N 2.93Å; E172-K175 PolarHBondContact O-N 2.76Å; E172-Q176 WeakPolarHBondContact O-CG 3.42Å; E172-Q176 PolarHBondContact O-N 2.97Å
173	I	85.4	Confident	83.6	Confident	87 Å²	87	67.8 Å²	67.8	45%	0.446	33%	0.33	S	S	.	.	H	α-helix	trans	-59.5	-44.8	175.6	-67	169	0	0	0	110.2	I169 Y170 K175 Q176 I177	I169-I173 HydrophobicContact CG2-CD1 3.79Å; I169-I173 HydrophobicContact CG2-CG1 4.44Å; I169-I173 WeakPolarHBondContact O-CG1 3.4Å; I169-I173 PolarHBondContact O-N 3.41Å; Y170-I173 PolarHBondContact O-N 3.42Å; I173-K175 PolarHBondContact O-N 2.89Å; I173-Q176 PolarHBondContact O-N 3.21Å; I173-I177 HydrophobicContact CG2-CD1 3.81Å; I173-I177 HydrophobicContact CG2-CG1 4.49Å; I173-I177 WeakPolarHBondContact O-CG1 3.37Å; I173-I177 PolarHBondContact O-N 3.17Å
174	Y	84.3	Confident	82.4	Confident	48 Å²	48	72 Å²	72	19%	0.188	35%	0.351	C	S	.	.	H	α-helix	trans	-59.2	-46	177.2	176.1	-100.3	0	0	0	112.2	Y170 N171 E172 Q176 I177 K178 S215	Y170-Y174 WeakPolarHBondContact O-CB 3.37Å; Y170-Y174 PolarHBondContact O-N 3.04Å; N171-Y174 PolarHBondContact O-N 2.88Å; E172-Y174 VanDerWaalsContact C-N 3.31Å; E172-Y174 PolarHBondContact O-N 2.93Å; Y174-Q176 PolarHBondContact O-N 3.45Å; Y174-I177 PolarHBondContact O-N 3.08Å; Y174-K178 HydrophobicContact CE1-CD 4.3Å; Y174-K178 PolarHBondContact O-N 3.33Å; Y174-S215 WeakPolarHBondContact OH-CA 3.3Å; Y174-S215 WeakPolarHBondContact OH-CB 3.32Å
175	K	82.9	Confident	81.4	Confident	56 Å²	56	75.5 Å²	75.5	24%	0.243	37%	0.369	C	S	.	.	H	α-helix	trans	-59.3	-44.6	176.7	-76.7	-179.7	177.2	-166.8	0	111.9	N171 E172 I173 K178 Q179 L209 E212	N171-K175 WeakPolarHBondContact O-CG 3.47Å; N171-K175 PolarHBondContact O-N 3.17Å; E172-K175 PolarHBondContact O-N 2.76Å; I173-K175 PolarHBondContact O-N 2.89Å; K175-K178 PolarHBondContact O-N 2.88Å; K175-Q179 WeakPolarHBondContact O-CB 3.46Å; K175-Q179 VanDerWaalsContact O-CG 3.32Å; K175-Q179 WeakPolarHBondContact O-CG 3.4Å; K175-Q179 PolarHBondContact O-N 3.06Å; K175-L209 PolarHBondContact NZ-O 2.7Å; K175-E212 WeakPolarHBondContact CE-O 3.19Å
176	Q	84.2	Confident	80.2	Confident	128 Å²	128	74 Å²	74	60%	0.598	37%	0.371	S	S	*	.	H	α-helix	trans	-61.9	-45	178.4	-70.3	174.3	10.2	0	0	112	E172 I173 Y174 K178 Q179 H180	E172-Q176 WeakPolarHBondContact O-CG 3.42Å; E172-Q176 PolarHBondContact O-N 2.97Å; I173-Q176 PolarHBondContact O-N 3.21Å; Y174-Q176 PolarHBondContact O-N 3.45Å; Q176-K178 PolarHBondContact O-N 3.38Å; Q176-Q179 PolarHBondContact O-N 3.36Å; Q176-H180 WeakPolarHBondContact O-CB 3.29Å; Q176-H180 PolarHBondContact O-N 3.14Å
177	I	82.9	Confident	79.3	Confident	112 Å²	112	76.2 Å²	76.2	57%	0.574	38%	0.384	S	S	*	.	H	α-helix	trans	-62.4	-44.2	177.7	-67.1	168	0	0	0	110.9	I173 Y174 H180 S181	I173-I177 HydrophobicContact CG2-CD1 3.81Å; I173-I177 HydrophobicContact CG2-CG1 4.49Å; I173-I177 WeakPolarHBondContact O-CG1 3.37Å; I173-I177 PolarHBondContact O-N 3.17Å; Y174-I177 PolarHBondContact O-N 3.08Å; I177-H180 PolarHBondContact O-N 3.3Å; I177-S181 WeakPolarHBondContact O-CB 3.2Å; I177-S181 PolarHBondContact O-N 2.67Å
178	K	80.1	Confident	77.8	Confident	60 Å²	60	79.7 Å²	79.7	26%	0.261	40%	0.402	S	S	.	.	H	α-helix	trans	-65.3	-42.8	179.8	-167.3	-178.1	177.8	-163.6	0	111.9	Y174 K175 Q176 S181 H182 E212	Y174-K178 HydrophobicContact CE1-CD 4.3Å; Y174-K178 PolarHBondContact O-N 3.33Å; K175-K178 PolarHBondContact O-N 2.88Å; Q176-K178 PolarHBondContact O-N 3.38Å; K178-S181 PolarHBondContact O-N 3.04Å; K178-H182 PolarHBondContact O-N 3.26Å; K178-E212 IonicContact NZ-OE1 2.84Å; K178-E212 PolarHBondContact NZ-OE1 3.32Å; K178-E212 IonicContact NZ-OE2 3.36Å; K178-E212 PolarHBondContact NZ-OE2 3.01Å
179	Q	79.7	Confident	76.5	Confident	111 Å²	111	82.1 Å²	82.1	52%	0.519	42%	0.415	S	S	.	.	H	α-helix	trans	-62	-43.5	175.2	-75.1	177.2	-8.6	0	0	111.9	K175 Q176 H182 S183	K175-Q179 WeakPolarHBondContact O-CB 3.46Å; K175-Q179 VanDerWaalsContact O-CG 3.32Å; K175-Q179 WeakPolarHBondContact O-CG 3.4Å; K175-Q179 PolarHBondContact O-N 3.06Å; Q176-Q179 PolarHBondContact O-N 3.36Å; Q179-H182 PolarHBondContact O-N 3.25Å; Q179-S183 PolarHBondContact O-N 3.27Å
180	H	78.6	Confident	75.5	Confident	125 Å²	125	86 Å²	86	58%	0.579	43%	0.428	S	S	*	.	H	α-helix	trans	-64.1	-42.1	176.7	-171.6	67.4	0	0	0	111.9	Q176 I177 H182 S183 M184	Q176-H180 WeakPolarHBondContact O-CB 3.29Å; Q176-H180 PolarHBondContact O-N 3.14Å; I177-H180 PolarHBondContact O-N 3.3Å; H180-H182 PolarHBondContact O-N 3.34Å; H180-S183 PolarHBondContact O-N 2.95Å; H180-M184 WeakPolarHBondContact O-CB 3.07Å; H180-M184 PolarHBondContact O-N 3Å
181	S	76.8	Confident	74.2	Confident	52 Å²	52	91.2 Å²	91.2	36%	0.364	45%	0.454	S	S	.	.	H	α-helix	trans	-61.5	-42.4	174.7	179.1	0	0	0	0	112.3	I177 K178 M184 N185	I177-S181 WeakPolarHBondContact O-CB 3.2Å; I177-S181 PolarHBondContact O-N 2.67Å; K178-S181 PolarHBondContact O-N 3.04Å; S181-M184 PolarHBondContact O-N 3Å; S181-N185 WeakPolarHBondContact O-CB 3.01Å; S181-N185 VanDerWaalsContact O-CG 3.24Å; S181-N185 PolarHBondContact O-N 3.32Å; S181-N185 PolarHBondContact O-ND2 3.17Å
182	H	73.3	Confident	72.9	Confident	127 Å²	127	94.6 Å²	94.6	59%	0.588	48%	0.476	S	S	*	.	H	α-helix	trans	-64.4	-44.2	175.5	-101.5	-36.6	0	0	0	112.6	K178 Q179 H180 M184 N185 S186	K178-H182 PolarHBondContact O-N 3.26Å; Q179-H182 PolarHBondContact O-N 3.25Å; H180-H182 PolarHBondContact O-N 3.34Å; H182-M184 VanDerWaalsContact C-N 3.34Å; H182-M184 PolarHBondContact O-N 3.05Å; H182-N185 PolarHBondContact O-N 3.01Å; H182-S186 PolarHBondContact O-N 2.82Å
183	S	70.8	Confident	71.3	Confident	60 Å²	60	93.3 Å²	93.3	42%	0.42	48%	0.475	S	S	.	.	H	α-helix	trans	-60.1	-45.6	175	179.3	0	0	0	0	111	Q179 H180 N185 S186 I187	Q179-S183 PolarHBondContact O-N 3.27Å; H180-S183 PolarHBondContact O-N 2.95Å; S183-N185 PolarHBondContact O-N 3.31Å; S183-S186 PolarHBondContact O-N 3.37Å; S183-S186 PolarHBondContact O-OG 3.39Å; S183-I187 WeakPolarHBondContact O-CG1 3.47Å; S183-I187 PolarHBondContact O-N 3.37Å
184	M	65.1	Low	69.7	Low	94 Å²	94	96.9 Å²	96.9	46%	0.463	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-42.1	177.9	-165.7	155.4	65.5	0	0	112.3	H180 S181 H182 S186 I187 I188	H180-M184 WeakPolarHBondContact O-CB 3.07Å; H180-M184 PolarHBondContact O-N 3Å; S181-M184 PolarHBondContact O-N 3Å; H182-M184 VanDerWaalsContact C-N 3.34Å; H182-M184 PolarHBondContact O-N 3.05Å; M184-S186 VanDerWaalsContact C-N 3.34Å; M184-S186 PolarHBondContact O-N 3.33Å; M184-I187 PolarHBondContact O-N 2.75Å; M184-I188 HydrophobicContact CG-CD1 4.09Å; M184-I188 WeakPolarHBondContact O-CB 3.38Å; M184-I188 VanDerWaalsContact O-CG1 3.24Å; M184-I188 WeakPolarHBondContact O-CG1 3.24Å; M184-I188 PolarHBondContact O-N 3.26Å
185	N	69.5	Low	67.9	Low	73 Å²	73	101.2 Å²	101.2	39%	0.39	52%	0.521	S	S	.	.	H	α-helix	trans	-64	-36.8	174.5	-72.2	-21.8	0	0	0	112.3	S181 H182 S183 I188 N189	S181-N185 WeakPolarHBondContact O-CB 3.01Å; S181-N185 VanDerWaalsContact O-CG 3.24Å; S181-N185 PolarHBondContact O-N 3.32Å; S181-N185 PolarHBondContact O-ND2 3.17Å; H182-N185 PolarHBondContact O-N 3.01Å; S183-N185 PolarHBondContact O-N 3.31Å; N185-I188 PolarHBondContact O-N 2.73Å; N185-N189 VanDerWaalsContact O-CB 3.3Å; N185-N189 WeakPolarHBondContact O-CB 3.49Å; N185-N189 PolarHBondContact O-N 3.5Å; N185-N189 PolarHBondContact O-ND2 3.43Å
186	S	63.8	Low	66	Low	67 Å²	67	107.9 Å²	107.9	47%	0.469	55%	0.553	S	S	.	*	H	α-helix	trans	-66.5	-38.6	174.2	72.9	0	0	0	0	112.5	H182 S183 M184 K190	H182-S186 PolarHBondContact O-N 2.82Å; S183-S186 PolarHBondContact O-N 3.37Å; S183-S186 PolarHBondContact O-OG 3.39Å; M184-S186 VanDerWaalsContact C-N 3.34Å; M184-S186 PolarHBondContact O-N 3.33Å; S186-K190 VanDerWaalsContact O-CB 3.29Å; S186-K190 WeakPolarHBondContact O-CB 3.33Å; S186-K190 PolarHBondContact O-N 2.81Å
187	I	66.8	Low	64.2	Low	89 Å²	89	109.3 Å²	109.3	46%	0.456	57%	0.565	S	S	.	*	H	α-helix	trans	-66.3	-46	175.7	-67.8	164.5	0	0	0	109.8	S183 M184 K190 H191	S183-I187 WeakPolarHBondContact O-CG1 3.47Å; S183-I187 PolarHBondContact O-N 3.37Å; M184-I187 PolarHBondContact O-N 2.75Å; I187-K190 PolarHBondContact O-N 2.76Å; I187-H191 PolarHBondContact O-CD2 2.85Å; I187-H191 PolarHBondContact O-N 2.78Å; I187-H191 VanDerWaalsContact O-N 3.09Å
188	I	59.5	Low	62.4	Low	81 Å²	81	113.1 Å²	113.1	42%	0.415	57%	0.574	S	S	.	*	H	α-helix	trans	-59.2	-51.5	176.3	-68.7	164.6	0	0	0	110.1	M184 N185 K190 H191 T192	M184-I188 HydrophobicContact CG-CD1 4.09Å; M184-I188 WeakPolarHBondContact O-CB 3.38Å; M184-I188 VanDerWaalsContact O-CG1 3.24Å; M184-I188 WeakPolarHBondContact O-CG1 3.24Å; M184-I188 PolarHBondContact O-N 3.26Å; N185-I188 PolarHBondContact O-N 2.73Å; I188-K190 VanDerWaalsContact C-N 3.26Å; I188-K190 PolarHBondContact O-N 2.93Å; I188-H191 CarbonylContact O-C 3.57Å; I188-H191 WeakPolarHBondContact O-CA 3.2Å; I188-H191 PolarHBondContact O-N 3.19Å; I188-T192 HydrophobicContact CG2-CG2 4.03Å; I188-T192 WeakPolarHBondContact O-CG2 3.47Å; I188-T192 PolarHBondContact O-N 2.91Å; I188-T192 PolarHBondContact O-OG1 2.98Å
189	N	58.1	Low	60.3	Low	88 Å²	88	118.4 Å²	118.4	47%	0.471	60%	0.596	S	S	.	*	H	α-helix	trans	-60.3	-36.3	-179.6	-72.8	-12	0	0	0	112.4	N185 H191 T192 V193	N185-N189 VanDerWaalsContact O-CB 3.3Å; N185-N189 WeakPolarHBondContact O-CB 3.49Å; N185-N189 PolarHBondContact O-N 3.5Å; N185-N189 PolarHBondContact O-ND2 3.43Å; N189-H191 VanDerWaalsContact C-N 3.28Å; N189-H191 PolarHBondContact O-N 3.03Å; N189-T192 WeakPolarHBondContact CA-OG1 3.4Å; N189-T192 PolarHBondContact O-N 2.92Å; N189-V193 PolarHBondContact O-N 2.99Å
190	K	65.9	Low	58.3	Low	173 Å²	173	120.1 Å²	120.1	75%	0.752	61%	0.609	S	S	*	*	H	α-helix	trans	-67	-27.5	174.5	-168.9	173.7	-176.7	175	0	113	S186 I187 I188	S186-K190 VanDerWaalsContact O-CB 3.29Å; S186-K190 WeakPolarHBondContact O-CB 3.33Å; S186-K190 PolarHBondContact O-N 2.81Å; I187-K190 PolarHBondContact O-N 2.76Å; I188-K190 VanDerWaalsContact C-N 3.26Å; I188-K190 PolarHBondContact O-N 2.93Å
191	H	60.1	Low	56.4	Low	155 Å²	155	120.1 Å²	120.1	72%	0.718	61%	0.614	S	S	*	*	H	α-helix	trans	-91.9	-21.2	176.6	-77.9	-64.3	0	0	0	114	I187 I188 N189	I187-H191 PolarHBondContact O-CD2 2.85Å; I187-H191 PolarHBondContact O-N 2.78Å; I187-H191 VanDerWaalsContact O-N 3.09Å; I188-H191 CarbonylContact O-C 3.57Å; I188-H191 WeakPolarHBondContact O-CA 3.2Å; I188-H191 PolarHBondContact O-N 3.19Å; N189-H191 VanDerWaalsContact C-N 3.28Å; N189-H191 PolarHBondContact O-N 3.03Å
192	T	57.5	Low	54.7	Low	94 Å²	94	124.8 Å²	124.8	58%	0.577	64%	0.635	S	S	*	*	H	α-helix	trans	-94.6	-9.9	-176.2	52.3	0	0	0	0	114.7	I188 N189	I188-T192 HydrophobicContact CG2-CG2 4.03Å; I188-T192 WeakPolarHBondContact O-CG2 3.47Å; I188-T192 PolarHBondContact O-N 2.91Å; I188-T192 PolarHBondContact O-OG1 2.98Å; N189-T192 WeakPolarHBondContact CA-OG1 3.4Å; N189-T192 PolarHBondContact O-N 2.92Å
193	V	52.4	Low	53	Low	80 Å²	80	128.4 Å²	128.4	49%	0.485	65%	0.652	S	S	.	*			trans	-136.3	100.7	-176	-174.5	0	0	0	0	111.3	N189 N195	N189-V193 PolarHBondContact O-N 2.99Å; V193-N195 HydrophobicContact CG1-CB 3.7Å; V193-N195 PolarHBondContact O-N 3.38Å
194	D	51.1	Low	51.3	Low	162 Å²	162	132.8 Å²	132.8	87%	0.866	67%	0.667	S	S	*	*			trans	-78.7	24.4	165.3	-79.1	-31.1	0	0	0	112.4
195	N	47.3	Very low	49.9	Very low	139 Å²	139	133.7 Å²	133.7	74%	0.743	67%	0.674	S	S	*	*			trans	-109.3	128.9	-177.9	-70.2	-33.5	0	0	0	112.4	V193 D197	V193-N195 HydrophobicContact CG1-CB 3.7Å; V193-N195 PolarHBondContact O-N 3.38Å; N195-D197 PolarHBondContact O-N 3.05Å
196	E	43.3	Very low	48.4	Very low	195 Å²	195	137.8 Å²	137.8	91%	0.911	69%	0.691	S	S	*	*	S	Bend	trans	-73	34.5	-158.6	-61.4	-176.5	138.9	0	0	118.5
197	D	46.2	Very low	47	Very low	158 Å²	158	141.2 Å²	141.2	85%	0.845	70%	0.699	S	S	*	*			trans	-127.9	76.2	178.1	-94.6	-33.6	0	0	0	112.2	N195	N195-D197 PolarHBondContact O-N 3.05Å
198	Y	43.6	Very low	45.7	Very low	192 Å²	192	138.8 Å²	138.8	75%	0.753	69%	0.691	S	S	*	*			trans	-108.9	100.6	163.1	-141.8	-91.9	0	0	0	110.1	N200	Y198-N200 PolarHBondContact O-N 3.17Å
199	K	37	Very low	44.6	Very low	171 Å²	171	138.8 Å²	138.8	74%	0.743	69%	0.691	S	S	*	*			trans	-67.7	117.3	163.2	-78.9	-175.7	175.3	-180	0	108.5	D201	K199-D201 PolarHBondContact O-N 3Å; K199-D201 VanDerWaalsContact O-N 3.16Å
200	N	36.7	Very low	43.7	Very low	148 Å²	148	140.2 Å²	140.2	79%	0.791	70%	0.703	S	S	*	*			trans	-72.4	94	166.6	-66.4	-44.1	0	0	0	108.1	Y198	Y198-N200 PolarHBondContact O-N 3.17Å
201	D	38.8	Very low	42.6	Very low	125 Å²	125	137.9 Å²	137.9	67%	0.668	69%	0.693	S	S	*	*			trans	-123.2	130.4	166.9	-70.8	-40.4	0	0	0	109.1	K199	K199-D201 PolarHBondContact O-N 3Å; K199-D201 VanDerWaalsContact O-N 3.16Å
202	D	41.5	Very low	42.1	Very low	150 Å²	150	135.5 Å²	135.5	80%	0.802	68%	0.682	S	S	*	*			trans	89.5	81	167.4	-51.4	-27	0	0	0	117.6	M204	D202-M204 VanDerWaalsContact C-N 3.33Å; D202-M204 PolarHBondContact O-N 2.9Å
203	E	37.4	Very low	42.1	Very low	202 Å²	202	131.5 Å²	131.5	94%	0.944	66%	0.658	S	S	*	*			trans	-51.7	99.5	147.6	-84.6	-177	156	0	0	109	N205	E203-N205 PolarHBondContact O-N 3.07Å
204	M	36.7	Very low	43.2	Very low	152 Å²	152	128 Å²	128	75%	0.749	64%	0.636	S	S	*	*			trans	-70	102.1	-175.2	-173.5	170.8	44.9	0	0	110.6	D202 S208	D202-M204 VanDerWaalsContact C-N 3.33Å; D202-M204 PolarHBondContact O-N 2.9Å; M204-S208 VanDerWaalsContact CG-OG 3.28Å; M204-S208 WeakPolarHBondContact CG-OG 3.16Å
205	N	35.1	Very low	44.7	Very low	114 Å²	114	120.9 Å²	120.9	61%	0.61	60%	0.599	S	S	*	*			trans	-61.3	143.4	-178.6	-164.2	-2	0	0	0	112.2	E203 E207 S208	E203-N205 PolarHBondContact O-N 3.07Å; N205-E207 PolarHBondContact O-N 3.4Å; N205-E207 VanDerWaalsContact O-N 3.08Å; N205-S208 WeakPolarHBondContact O-CB 3.33Å; N205-S208 PolarHBondContact O-N 3.44Å; N205-S208 PolarHBondContact O-OG 2.97Å
206	E	37.8	Very low	46.5	Very low	158 Å²	158	116.6 Å²	116.6	74%	0.738	58%	0.578	S	S	*	*	H	α-helix	trans	-57.3	-25.9	-178.5	-76.8	-176.7	158.3	0	0	113.3	S208 L209	E206-S208 PolarHBondContact O-N 3.46Å; E206-L209 HydrophobicContact CG-CD1 4.49Å; E206-L209 WeakPolarHBondContact O-CB 3.35Å; E206-L209 PolarHBondContact O-N 2.95Å
207	E	35	Very low	48.6	Very low	139 Å²	139	112 Å²	112	65%	0.65	56%	0.56	S	S	*	*	H	α-helix	trans	-64.1	-21	175	-130.1	179.8	-167.3	0	0	113	N205	N205-E207 PolarHBondContact O-N 3.4Å; N205-E207 VanDerWaalsContact O-N 3.08Å
208	S	38	Very low	50.8	Low	39 Å²	39	105.1 Å²	105.1	27%	0.273	52%	0.523	S	S	.	.	H	α-helix	trans	-75.8	-29.9	172.5	76.4	0	0	0	0	112.8	M204 N205 E206 V210 K211 E212	M204-S208 VanDerWaalsContact CG-OG 3.28Å; M204-S208 WeakPolarHBondContact CG-OG 3.16Å; N205-S208 WeakPolarHBondContact O-CB 3.33Å; N205-S208 PolarHBondContact O-N 3.44Å; N205-S208 PolarHBondContact O-OG 2.97Å; E206-S208 PolarHBondContact O-N 3.46Å; S208-V210 VanDerWaalsContact C-N 3.25Å; S208-V210 PolarHBondContact O-N 2.95Å; S208-K211 WeakPolarHBondContact O-CB 3.47Å; S208-K211 PolarHBondContact O-N 3.45Å; S208-E212 PolarHBondContact O-N 3.22Å
209	L	37.6	Very low	53.4	Low	80 Å²	80	96 Å²	96	42%	0.419	49%	0.487	S	S	.	.	H	α-helix	trans	-66.3	-27.7	-178.9	-77.1	161.8	0	0	0	112.7	K175 E206	K175-L209 PolarHBondContact NZ-O 2.7Å; E206-L209 HydrophobicContact CG-CD1 4.49Å; E206-L209 WeakPolarHBondContact O-CB 3.35Å; E206-L209 PolarHBondContact O-N 2.95Å
210	V	38.7	Very low	56.3	Low	119 Å²	119	87.9 Å²	87.9	72%	0.721	45%	0.452	S	S	*	.	H	α-helix	trans	-77	-27.2	173.6	-175.9	0	0	0	0	111.4	S208	S208-V210 VanDerWaalsContact C-N 3.25Å; S208-V210 PolarHBondContact O-N 2.95Å
211	K	42.5	Very low	59.2	Low	124 Å²	124	80.8 Å²	80.8	54%	0.539	41%	0.414	S	S	.	.	H	α-helix	trans	-78.4	-27.3	-174.2	-77	178.4	179.3	170	0	115	S208 S213	S208-K211 WeakPolarHBondContact O-CB 3.47Å; S208-K211 PolarHBondContact O-N 3.45Å; K211-S213 VanDerWaalsContact C-N 3.31Å; K211-S213 PolarHBondContact O-N 3.27Å
212	E	49	Very low	62	Low	105 Å²	105	74.9 Å²	74.9	49%	0.491	38%	0.383	S	S	.	.			trans	-85	71	-177.6	-67.9	-156.7	146	0	0	112.5	K175 K178 S208	K175-E212 WeakPolarHBondContact CE-O 3.19Å; K178-E212 IonicContact NZ-OE1 2.84Å; K178-E212 PolarHBondContact NZ-OE1 3.32Å; K178-E212 IonicContact NZ-OE2 3.36Å; K178-E212 PolarHBondContact NZ-OE2 3.01Å; S208-E212 PolarHBondContact O-N 3.22Å
213	S	58.7	Low	64.8	Low	10 Å²	10	67.7 Å²	67.7	7%	0.07	34%	0.344	C	S	.	.			trans	-81.6	126.1	165	56.9	0	0	0	0	109.9	K211	K211-S213 VanDerWaalsContact C-N 3.31Å; K211-S213 PolarHBondContact O-N 3.27Å
214	L	75.7	Confident	67.7	Low	6 Å²	6	58.1 Å²	58.1	3%	0.031	30%	0.299	C	S	.	.	S	Bend	trans	55.3	167	173	-69.4	179.2	0	0	0	116.4	F167 Y170 N171 T216 Y220 F252 P400	F167-L214 HydrophobicContact CE1-CD1 4.3Å; F167-L214 HydrophobicContact CE1-CG 4.32Å; F167-L214 HydrophobicContact CE2-CD1 3.74Å; F167-L214 HydrophobicContact CE2-CG 4.47Å; F167-L214 HydrophobicContact CZ-CD1 3.26Å; F167-L214 HydrophobicContact CZ-CD2 4.13Å; F167-L214 HydrophobicContact CZ-CG 3.72Å; Y170-L214 HydrophobicContact CD1-CD2 3.6Å; Y170-L214 HydrophobicContact CE1-CD2 3.36Å; N171-L214 PolarHBondContact OD1-N 2.93Å; L214-T216 PolarHBondContact O-N 3.23Å; L214-Y220 WeakPolarHBondContact CB-OH 3.19Å; L214-Y220 HydrophobicContact CD1-CD1 4.43Å; L214-Y220 HydrophobicContact CD1-CE1 3.68Å; L214-F252 HydrophobicContact CB-CE2 3.98Å; L214-F252 HydrophobicContact CB-CZ 3.65Å; L214-F252 HydrophobicContact CD1-CE2 4.15Å; L214-F252 HydrophobicContact CD1-CZ 3.93Å; L214-F252 HydrophobicContact CG-CZ 4.45Å; L214-P400 HydrophobicContact CD1-CG 4.19Å; L214-P400 HydrophobicContact CD2-CG 3.87Å
215	S	82.9	Confident	70.5	Confident	12 Å²	12	50.9 Å²	50.9	8%	0.084	26%	0.264	C	S	.	.			trans	-71.3	120.7	170	176.8	0	0	0	0	109.7	Y174 D217 Y220	Y174-S215 WeakPolarHBondContact OH-CA 3.3Å; Y174-S215 WeakPolarHBondContact OH-CB 3.32Å; S215-D217 VanDerWaalsContact C-N 3.26Å; S215-D217 PolarHBondContact OG-N 3.4Å; S215-D217 PolarHBondContact OG-OD2 2.97Å; S215-Y220 PolarHBondContact N-OH 3.14Å; S215-Y220 WeakPolarHBondContact O-CE2 3.39Å; S215-Y220 PolarHBondContact O-OH 3.32Å
216	T	85	Confident	73.4	Confident	50 Å²	50	45.6 Å²	45.6	31%	0.307	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.1	170.7	51.5	0	0	0	0	112.5	L214 V218 T251 F252 T297 G298	L214-T216 PolarHBondContact O-N 3.23Å; T216-V218 PolarHBondContact O-N 3.04Å; T216-T251 HydrophobicContact CG2-CG2 4.29Å; T216-T251 VanDerWaalsContact CG2-OG1 3.23Å; T216-T251 WeakPolarHBondContact CG2-OG1 3.41Å; T216-F252 HydrophobicContact CG2-CZ 4.49Å; T216-T297 CarbonylContact O-C 3.53Å; T216-T297 WeakPolarHBondContact O-CB 3.45Å; T216-T297 PolarHBondContact O-OG1 3.14Å; T216-G298 PolarHBondContact O-N 2.98Å
217	D	87.6	Confident	76	Confident	99 Å²	99	40.1 Å²	40.1	53%	0.529	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.8	179	-52.5	-49.4	0	0	0	112	S215 K291 T297	S215-D217 VanDerWaalsContact C-N 3.26Å; S215-D217 PolarHBondContact OG-N 3.4Å; S215-D217 PolarHBondContact OG-OD2 2.97Å; D217-K291 WeakPolarHBondContact O-CD 3.42Å; D217-K291 WeakPolarHBondContact O-CE 3.48Å; D217-K291 PolarHBondContact O-NZ 3.3Å; D217-T297 WeakPolarHBondContact O-CG2 3.34Å
218	V	92.2	Very high	78.7	Confident	12 Å²	12	33.5 Å²	33.5	7%	0.073	18%	0.179	C	C	.	.	S	Bend	trans	-121.8	162.5	178.2	-62.5	0	0	0	0	111	T216 Y220 G298 Y339	T216-V218 PolarHBondContact O-N 3.04Å; V218-Y220 HydrophobicContact CG2-CE2 3.64Å; V218-Y220 WeakPolarHBondContact CG2-OH 3.46Å; V218-G298 PolarHBondContact O-N 3.13Å; V218-Y339 HydrophobicContact CG1-CE1 4.23Å; V218-Y339 HydrophobicContact CG2-CD1 4.41Å; V218-Y339 HydrophobicContact CG2-CD2 3.89Å; V218-Y339 HydrophobicContact CG2-CE1 4.37Å; V218-Y339 HydrophobicContact CG2-CE2 3.82Å; V218-Y339 HydrophobicContact CG2-CG 4.2Å
219	N	96.7	Very high	81.3	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.			trans	-104.1	153.6	173.6	-66	-45.4	0	0	0	109.6	L288 L289 T297 G298 N299 S338 Y339	N219-L288 PolarHBondContact ND2-O 2.64Å; N219-L289 HydrophobicContact CB-CD2 4.16Å; N219-L289 PolarHBondContact ND2-O 2.69Å; N219-T297 VanDerWaalsContact OD1-CA 3.27Å; N219-T297 WeakPolarHBondContact OD1-CA 3.43Å; N219-G298 PolarHBondContact OD1-N 2.98Å; N219-G298 VanDerWaalsContact OD1-N 3.13Å; N219-N299 HydrophobicContact CB-CB 4.35Å; N219-N299 WeakPolarHBondContact OD1-CB 2.9Å; N219-N299 PolarHBondContact OD1-N 2.96Å; N219-S338 CarbonylContact O-C 3.55Å; N219-S338 WeakPolarHBondContact O-CA 3.43Å; N219-S338 VanDerWaalsContact O-CB 3.27Å; N219-S338 WeakPolarHBondContact O-CB 3.37Å; N219-Y339 PolarHBondContact O-N 2.62Å
220	Y	98	Very high	83.9	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.4	-173.7	-65.4	-102.7	0	0	0	109.2	L214 S215 V218 F252 N299 F300 V301 Y339 V341 P400	L214-Y220 WeakPolarHBondContact CB-OH 3.19Å; L214-Y220 HydrophobicContact CD1-CD1 4.43Å; L214-Y220 HydrophobicContact CD1-CE1 3.68Å; S215-Y220 PolarHBondContact N-OH 3.14Å; S215-Y220 WeakPolarHBondContact O-CE2 3.39Å; S215-Y220 PolarHBondContact O-OH 3.32Å; V218-Y220 HydrophobicContact CG2-CE2 3.64Å; V218-Y220 WeakPolarHBondContact CG2-OH 3.46Å; Y220-F252 HydrophobicContact CD2-CD1 4.12Å; Y220-F252 AromaticContact CD2-CE1 3.45Å; Y220-F252 HydrophobicContact CD2-CE1 3.45Å; Y220-F252 VanDerWaalsContact CD2-CE1 3.45Å; Y220-F252 HydrophobicContact CD2-CZ 4.29Å; Y220-F252 HydrophobicContact CE2-CD1 4.32Å; Y220-F252 AromaticContact CE2-CE1 3.25Å; Y220-F252 HydrophobicContact CE2-CE1 3.25Å; Y220-F252 AromaticContact CE2-CZ 3.74Å; Y220-F252 HydrophobicContact CE2-CZ 3.74Å; Y220-F252 HydrophobicContact CG-CE1 4.42Å; Y220-N299 PolarHBondContact N-O 3.38Å; Y220-F300 HydrophobicContact CG-CD2 4.27Å; Y220-V301 PolarHBondContact O-N 3Å; Y220-Y339 CarbonylContact C-O 3.6Å; Y220-Y339 WeakPolarHBondContact CA-O 3.27Å; Y220-Y339 AromaticContact CE1-CD2 3.81Å; Y220-Y339 HydrophobicContact CE1-CD2 3.81Å; Y220-Y339 HydrophobicContact CE1-CG 4.31Å; Y220-V341 HydrophobicContact CD1-CG2 3.76Å; Y220-V341 HydrophobicContact CG-CG2 4.47Å; Y220-P400 HydrophobicContact CD1-CB 4.35Å; Y220-P400 HydrophobicContact CD1-CG 4.37Å; Y220-P400 HydrophobicContact CE1-CB 4.01Å; Y220-P400 HydrophobicContact CE1-CG 3.91Å
221	L	98.5	Very high	86.6	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	104.5	175.9	179.8	55.6	0	0	0	108.9	L289 V301 V303 F329 A333 Y339 L340 V341	L221-L289 HydrophobicContact CB-CD1 4.18Å; L221-L289 HydrophobicContact CB-CD2 3.96Å; L221-L289 HydrophobicContact CD1-CD1 3.93Å; L221-L289 HydrophobicContact CD1-CD2 4.49Å; L221-L289 HydrophobicContact CD2-CD1 3.88Å; L221-L289 HydrophobicContact CG-CD1 4.19Å; L221-V301 HydrophobicContact CD1-CB 4.5Å; L221-V301 HydrophobicContact CD1-CG1 4.48Å; L221-V303 HydrophobicContact CD1-CG2 3.64Å; L221-F329 HydrophobicContact CD1-CD2 4.17Å; L221-F329 HydrophobicContact CD1-CE2 3.5Å; L221-F329 HydrophobicContact CD1-CZ 4.17Å; L221-F329 HydrophobicContact CD2-CD2 3.79Å; L221-F329 HydrophobicContact CD2-CE1 4.45Å; L221-F329 HydrophobicContact CD2-CE2 3.63Å; L221-F329 HydrophobicContact CD2-CG 4.27Å; L221-F329 HydrophobicContact CD2-CZ 3.98Å; L221-F329 HydrophobicContact CG-CD2 4.06Å; L221-F329 HydrophobicContact CG-CE1 4.45Å; L221-F329 HydrophobicContact CG-CE2 3.37Å; L221-F329 HydrophobicContact CG-CZ 3.6Å; L221-A333 HydrophobicContact CD2-CB 4.2Å; L221-Y339 PolarHBondContact N-O 3.32Å; L221-L340 HydrophobicContact CB-CD2 4.25Å; L221-L340 HydrophobicContact CD2-CD2 4.09Å; L221-L340 HydrophobicContact CG-CD2 4.2Å; L221-L340 CarbonylContact O-C 2.95Å; L221-L340 WeakPolarHBondContact O-CA 3.26Å; L221-V341 PolarHBondContact O-N 2.97Å
222	V	98.6	Very high	89.1	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.1	-172.5	-177.1	0	0	0	0	109	F300 V301 V302 V303 V341 C343	V222-F300 HydrophobicContact CB-CE1 4.2Å; V222-F300 HydrophobicContact CG1-CE1 4.33Å; V222-F300 HydrophobicContact CG2-CD1 3.67Å; V222-F300 HydrophobicContact CG2-CD2 4.31Å; V222-F300 HydrophobicContact CG2-CE1 3.22Å; V222-F300 HydrophobicContact CG2-CE2 3.93Å; V222-F300 HydrophobicContact CG2-CG 4.2Å; V222-F300 HydrophobicContact CG2-CZ 3.37Å; V222-V301 PolarHBondContact N-O 2.79Å; V222-V302 HydrophobicContact CB-CB 4.41Å; V222-V302 HydrophobicContact CB-CG1 4.48Å; V222-V302 HydrophobicContact CB-CG2 4.05Å; V222-V302 HydrophobicContact CG1-CG1 4.38Å; V222-V302 HydrophobicContact CG1-CG2 4.36Å; V222-V302 HydrophobicContact CG2-CG2 4.36Å; V222-V303 PolarHBondContact O-N 2.87Å; V222-V341 CarbonylContact C-O 3.44Å; V222-V341 WeakPolarHBondContact CA-O 3.33Å; V222-V341 HydrophobicContact CB-CB 4.14Å; V222-V341 HydrophobicContact CG1-CB 4.17Å; V222-V341 HydrophobicContact CG1-CG1 4.23Å; V222-V341 HydrophobicContact CG2-CB 3.66Å; V222-V341 HydrophobicContact CG2-CG1 4.16Å; V222-V341 HydrophobicContact CG2-CG2 4.05Å; V222-C343 HydrophobicContact CG1-CB 3.57Å
223	G	98.3	Very high	91.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	108.5	170.7	0	0	0	0	0	108.9	H225 V341 C343 Y421	G223-H225 PolarHBondContact O-CD2 2.83Å; G223-V341 PolarHBondContact N-O 2.76Å; G223-C343 WeakPolarHBondContact O-CB 3.17Å; G223-C343 PolarHBondContact O-N 3.27Å; G223-Y421 VanDerWaalsContact CA-OH 3.27Å; G223-Y421 WeakPolarHBondContact CA-OH 3.4Å; G223-Y421 PolarHBondContact O-OH 3.46Å; G223-Y421 VanDerWaalsContact O-OH 3.07Å
224	F	98.3	Very high	93.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.5	177.4	-180	-79.9	0	0	0	110.4	P226 A231 A234 F238 V302 V303 V304 L305 S345 E348 T395	F224-P226 VanDerWaalsContact CE1-O 3.27Å; F224-P226 WeakPolarHBondContact CE1-O 3.3Å; F224-A231 HydrophobicContact CE1-CB 4.5Å; F224-A234 HydrophobicContact CD1-CB 4.05Å; F224-A234 HydrophobicContact CD2-CB 3.89Å; F224-A234 HydrophobicContact CE1-CB 3.81Å; F224-A234 HydrophobicContact CE2-CB 3.62Å; F224-A234 HydrophobicContact CG-CB 4.08Å; F224-A234 HydrophobicContact CZ-CB 3.57Å; F224-A234 VanDerWaalsContact CZ-N 3.34Å; F224-F238 HydrophobicContact CD2-CD2 4.46Å; F224-F238 AromaticContact CD2-CE2 3.73Å; F224-F238 HydrophobicContact CD2-CE2 3.73Å; F224-F238 AromaticContact CE2-CE2 4Å; F224-F238 HydrophobicContact CE2-CE2 4Å; F224-V302 HydrophobicContact CB-CG1 3.68Å; F224-V302 HydrophobicContact CD2-CG1 4.44Å; F224-V302 HydrophobicContact CG-CG1 4.4Å; F224-V303 PolarHBondContact N-O 3.43Å; F224-V304 HydrophobicContact CD1-CG1 4.01Å; F224-V304 HydrophobicContact CD1-CG2 4.17Å; F224-L305 PolarHBondContact O-N 2.96Å; F224-S345 WeakPolarHBondContact CZ-OG 3.27Å; F224-E348 HydrophobicContact CZ-CG 4.49Å; F224-T395 HydrophobicContact CD2-CG2 4.22Å; F224-T395 HydrophobicContact CE2-CG2 3.73Å
225	H	97.3	Very high	94.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.1	-177.4	-58.4	-87.3	0	0	0	112.3	G223 E310 M321 I323 C343 I344 S345 Y421	G223-H225 PolarHBondContact O-CD2 2.83Å; H225-E310 IonicContact ND1-OE1 2.64Å; H225-M321 HydrophobicContact CB-CE 3.79Å; H225-M321 HydrophobicContact CB-SD 3.68Å; H225-I323 VanDerWaalsContact CE1-CD1 3.44Å; H225-I323 WeakPolarHBondContact CE1-CD1 3.43Å; H225-C343 PolarHBondContact N-O 3.45Å; H225-I344 CarbonylContact O-C 3.55Å; H225-I344 VanDerWaalsContact O-CA 3.23Å; H225-I344 WeakPolarHBondContact O-CA 3.38Å; H225-S345 PolarHBondContact O-N 3.33Å; H225-Y421 PolarHBondContact CD2-OH 3.31Å; H225-Y421 AromaticContact NE2-CE1 3.86Å; H225-Y421 AromaticContact NE2-CZ 3.87Å; H225-Y421 PolarHBondContact NE2-OH 2.95Å
226	P	95.4	Very high	94.8	Very high	4 Å²	4	12.4 Å²	12.4	3%	0.026	7%	0.068	C	C	.	.			cis	-76.9	167.4	-25.8	28.3	-21.3	0	0	0	110.4	F224 G228 E310 Y319 M321 Q349	F224-P226 VanDerWaalsContact CE1-O 3.27Å; F224-P226 WeakPolarHBondContact CE1-O 3.3Å; P226-G228 PolarHBondContact O-N 3.37Å; P226-E310 VanDerWaalsContact CA-OE2 3.3Å; P226-E310 WeakPolarHBondContact CA-OE2 3.23Å; P226-E310 HydrophobicContact CB-CG 3.89Å; P226-Y319 HydrophobicContact CG-CD1 4.28Å; P226-Y319 HydrophobicContact CG-CE1 4.46Å; P226-M321 HydrophobicContact CB-SD 4.25Å; P226-Q349 HydrophobicContact CG-CG 3.84Å
227	H	92.3	Very high	95.3	Very high	43 Å²	43	10 Å²	10	20%	0.199	5%	0.053	C	C	.	.			trans	-59	-33	177.6	-172.1	-70.6	0	0	0	113	A231 V304 E310	H227-A231 WeakPolarHBondContact O-CA 3.32Å; H227-A231 VanDerWaalsContact O-CB 3.28Å; H227-A231 WeakPolarHBondContact O-CB 3.28Å; H227-A231 PolarHBondContact O-N 3.48Å; H227-V304 VanDerWaalsContact CA-CG1 3.45Å; H227-V304 HydrophobicContact CB-CG1 3.45Å; H227-V304 VanDerWaalsContact CB-CG1 3.45Å; H227-V304 WeakPolarHBondContact CD2-CG1 3.03Å; H227-V304 VanDerWaalsContact CG-CG1 3.49Å; H227-E310 HydrophobicContact CB-CB 4.44Å; H227-E310 HydrophobicContact CB-CG 4.36Å; H227-E310 PolarHBondContact N-OE2 3.47Å
228	G	92.4	Very high	95.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-159.5	-164.5	0	0	0	0	0	111.1	P226 A311 S314	P226-G228 PolarHBondContact O-N 3.37Å; G228-A311 WeakPolarHBondContact O-CA 3.46Å; G228-A311 WeakPolarHBondContact O-CB 3.42Å; G228-S314 WeakPolarHBondContact CA-OG 3.26Å
229	I	91.9	Very high	96	Very high	12 Å²	12	4.8 Å²	4.8	6%	0.062	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-48.2	175.1	-56.5	-56.7	0	0	0	111.4	Y352 Q354 P379 F381	I229-Y352 HydrophobicContact CB-CD2 3.72Å; I229-Y352 HydrophobicContact CB-CE2 4.11Å; I229-Y352 HydrophobicContact CB-CG 4.36Å; I229-Y352 HydrophobicContact CG1-CD2 3.65Å; I229-Y352 HydrophobicContact CG1-CG 3.97Å; I229-Y352 HydrophobicContact CG2-CD2 4.4Å; I229-Q354 HydrophobicContact CD1-CG 3.84Å; I229-P379 HydrophobicContact CD1-CB 3.99Å; I229-P379 HydrophobicContact CD1-CG 4.24Å; I229-P379 HydrophobicContact CG2-CG 4.19Å; I229-F381 HydrophobicContact CD1-CB 4.29Å; I229-F381 HydrophobicContact CG1-CB 4.37Å; I229-F381 HydrophobicContact CG1-CG 4.44Å; I229-F381 HydrophobicContact CG2-CD1 3.48Å; I229-F381 VanDerWaalsContact CG2-CD1 3.48Å; I229-F381 HydrophobicContact CG2-CD2 4.21Å; I229-F381 HydrophobicContact CG2-CE1 3.53Å; I229-F381 HydrophobicContact CG2-CE2 4.24Å; I229-F381 HydrophobicContact CG2-CG 3.84Å; I229-F381 HydrophobicContact CG2-CZ 3.91Å
230	L	92.1	Very high	96	Very high	27 Å²	27	4.8 Å²	4.8	14%	0.141	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	3.3	-174.2	-62.1	-178	0	0	0	114	Y56 V57 F60 L61 T232	Y56-L230 HydrophobicContact CE1-CB 4.46Å; Y56-L230 HydrophobicContact CE1-CD1 4.06Å; Y56-L230 PolarHBondContact OH-O 3.41Å; V57-L230 HydrophobicContact CB-CD1 4.48Å; V57-L230 HydrophobicContact CG1-CD1 4.37Å; V57-L230 HydrophobicContact CG2-CD1 4.09Å; F60-L230 HydrophobicContact CB-CD2 4.45Å; L61-L230 HydrophobicContact CD2-CD2 4.35Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-T232 PolarHBondContact O-N 2.84Å
231	A	94.7	Very high	95.7	Very high	8 Å²	8	6 Å²	6	7%	0.066	3%	0.031	C	C	.	.			trans	50.4	49.9	-174.9	0	0	0	0	0	112.5	F224 H227 G233 A234 F235 V304	F224-A231 HydrophobicContact CE1-CB 4.5Å; H227-A231 WeakPolarHBondContact O-CA 3.32Å; H227-A231 VanDerWaalsContact O-CB 3.28Å; H227-A231 WeakPolarHBondContact O-CB 3.28Å; H227-A231 PolarHBondContact O-N 3.48Å; A231-G233 VanDerWaalsContact C-N 3.34Å; A231-G233 PolarHBondContact O-N 3.18Å; A231-A234 HydrophobicContact CB-CB 3.99Å; A231-A234 WeakPolarHBondContact O-CB 3.4Å; A231-A234 PolarHBondContact O-N 3.08Å; A231-F235 PolarHBondContact O-N 3.26Å; A231-V304 HydrophobicContact CB-CG1 4.43Å; A231-V304 HydrophobicContact CB-CG2 4.16Å
232	T	96	Very high	95.3	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.4	-42.5	-171.3	-48.9	0	0	0	0	111.7	Y56 F157 I159 L230 A234 F235 I236 E348 L351	Y56-T232 HydrophobicContact CE1-CG2 3.94Å; Y56-T232 WeakPolarHBondContact OH-CA 3.45Å; F157-T232 HydrophobicContact CD2-CG2 3.88Å; F157-T232 HydrophobicContact CE2-CG2 3.91Å; I159-T232 HydrophobicContact CD1-CG2 4.04Å; L230-T232 VanDerWaalsContact C-N 3.32Å; L230-T232 PolarHBondContact O-N 2.84Å; T232-A234 VanDerWaalsContact C-N 3.35Å; T232-F235 PolarHBondContact O-N 2.92Å; T232-I236 WeakPolarHBondContact O-CB 3.14Å; T232-I236 WeakPolarHBondContact O-CG1 3.42Å; T232-I236 PolarHBondContact O-N 3.44Å; T232-E348 WeakPolarHBondContact CA-OE1 3.36Å; T232-E348 VanDerWaalsContact CB-OE1 3.3Å; T232-E348 WeakPolarHBondContact CB-OE1 3.45Å; T232-E348 PolarHBondContact N-OE1 3.23Å; T232-E348 PolarHBondContact N-OE2 2.9Å; T232-L351 HydrophobicContact CG2-CD1 4.46Å
233	G	95.8	Very high	94.8	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62.2	-39.1	174.4	0	0	0	0	0	111.8	A231 N237 E348	A231-G233 VanDerWaalsContact C-N 3.34Å; A231-G233 PolarHBondContact O-N 3.18Å; G233-N237 WeakPolarHBondContact O-CB 3.35Å; G233-N237 VanDerWaalsContact O-CG 3.29Å; G233-N237 PolarHBondContact O-N 3.23Å; G233-N237 PolarHBondContact O-ND2 3.11Å; G233-E348 PolarHBondContact N-OE1 3.31Å
234	A	97.3	Very high	94.2	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.9	-47.4	175.2	0	0	0	0	0	111.1	F224 A231 T232 F238 L256 V304	F224-A234 HydrophobicContact CD1-CB 4.05Å; F224-A234 HydrophobicContact CD2-CB 3.89Å; F224-A234 HydrophobicContact CE1-CB 3.81Å; F224-A234 HydrophobicContact CE2-CB 3.62Å; F224-A234 HydrophobicContact CG-CB 4.08Å; F224-A234 HydrophobicContact CZ-CB 3.57Å; F224-A234 VanDerWaalsContact CZ-N 3.34Å; A231-A234 HydrophobicContact CB-CB 3.99Å; A231-A234 WeakPolarHBondContact O-CB 3.4Å; A231-A234 PolarHBondContact O-N 3.08Å; T232-A234 VanDerWaalsContact C-N 3.35Å; A234-F238 HydrophobicContact CB-CD2 4.43Å; A234-F238 WeakPolarHBondContact O-CB 3.49Å; A234-F238 WeakPolarHBondContact O-CD2 3.38Å; A234-F238 PolarHBondContact O-N 2.66Å; A234-L256 HydrophobicContact CB-CD1 4Å; A234-L256 HydrophobicContact CB-CD2 4.4Å; A234-V304 HydrophobicContact CB-CG2 4.21Å
235	F	97.2	Very high	93.8	Very high	5 Å²	5	6.7 Å²	6.7	2%	0.022	4%	0.036	C	C	.	.	I	π-helix	trans	-60.3	-51.9	178.3	176.7	-103.8	0	0	0	111.4	Y56 F60 W150 L153 A231 T232 A239 T240 L256 F275 M277	Y56-F235 HydrophobicContact CD2-CD1 4.06Å; Y56-F235 AromaticContact CD2-CE1 3.97Å; Y56-F235 HydrophobicContact CD2-CE1 3.97Å; Y56-F235 HydrophobicContact CE2-CB 4.45Å; Y56-F235 AromaticContact CE2-CD1 3.46Å; Y56-F235 HydrophobicContact CE2-CD1 3.46Å; Y56-F235 VanDerWaalsContact CE2-CD1 3.46Å; Y56-F235 AromaticContact CE2-CE1 3.83Å; Y56-F235 HydrophobicContact CE2-CE1 3.83Å; Y56-F235 AromaticContact CE2-CG 3.97Å; Y56-F235 HydrophobicContact CE2-CG 3.97Å; F60-F235 HydrophobicContact CE2-CD2 4.3Å; F60-F235 HydrophobicContact CE2-CE2 4.25Å; F60-F235 HydrophobicContact CE2-CZ 4.43Å; F60-F235 AromaticContact CZ-CD2 3.8Å; F60-F235 HydrophobicContact CZ-CD2 3.8Å; F60-F235 AromaticContact CZ-CE2 3.92Å; F60-F235 HydrophobicContact CZ-CE2 3.92Å; F60-F235 HydrophobicContact CZ-CG 4.33Å; W150-F235 AromaticContact CE3-CE1 3.89Å; W150-F235 HydrophobicContact CE3-CE1 3.89Å; W150-F235 HydrophobicContact CE3-CZ 4.31Å; W150-F235 HydrophobicContact CH2-CZ 4.23Å; W150-F235 AromaticContact CZ3-CE1 3.8Å; W150-F235 HydrophobicContact CZ3-CE1 3.8Å; W150-F235 AromaticContact CZ3-CZ 3.97Å; W150-F235 HydrophobicContact CZ3-CZ 3.97Å; L153-F235 HydrophobicContact CD2-CE1 4.42Å; A231-F235 PolarHBondContact O-N 3.26Å; T232-F235 PolarHBondContact O-N 2.92Å; F235-A239 HydrophobicContact CD2-CB 3.65Å; F235-A239 HydrophobicContact CE2-CB 3.97Å; F235-A239 HydrophobicContact CG-CB 4.34Å; F235-A239 CarbonylContact O-C 3.17Å; F235-A239 VanDerWaalsContact O-CA 3.28Å; F235-A239 WeakPolarHBondContact O-CA 3.3Å; F235-A239 WeakPolarHBondContact O-CB 3.39Å; F235-A239 PolarHBondContact O-N 3.1Å; F235-T240 HydrophobicContact CD1-CG2 4.34Å; F235-T240 HydrophobicContact CE1-CG2 3.88Å; F235-T240 HydrophobicContact CZ-CG2 4Å; F235-T240 PolarHBondContact O-N 2.74Å; F235-L256 HydrophobicContact CB-CD2 4.5Å; F235-F275 HydrophobicContact CE2-CD1 4.09Å; F235-F275 HydrophobicContact CE2-CD2 4.44Å; F235-F275 HydrophobicContact CE2-CE1 4.36Å; F235-F275 HydrophobicContact CE2-CG 4.13Å; F235-F275 HydrophobicContact CZ-CD1 4.11Å; F235-F275 AromaticContact CZ-CE1 3.96Å; F235-F275 HydrophobicContact CZ-CE1 3.96Å; F235-F275 HydrophobicContact CZ-CZ 4.29Å; F235-M277 HydrophobicContact CD2-CE 4.12Å; F235-M277 HydrophobicContact CD2-SD 4.39Å; F235-M277 HydrophobicContact CE2-CE 3.79Å
236	I	96	Very high	93.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.05	C	C	.	.	I	π-helix	trans	-66.1	-44.5	-177.8	-74	-56.3	0	0	0	112.1	W150 L153 A154 I159 T232 T240 A242 T243	W150-I236 HydrophobicContact CB-CD1 4.39Å; L153-I236 HydrophobicContact CB-CD1 4.06Å; L153-I236 HydrophobicContact CD2-CD1 3.58Å; L153-I236 HydrophobicContact CD2-CG1 4.09Å; L153-I236 HydrophobicContact CG-CD1 3.85Å; L153-I236 HydrophobicContact CG-CG1 4.16Å; A154-I236 HydrophobicContact CB-CG2 3.79Å; I159-I236 HydrophobicContact CB-CG2 4.07Å; I159-I236 HydrophobicContact CD1-CB 3.84Å; I159-I236 HydrophobicContact CD1-CG1 3.69Å; I159-I236 HydrophobicContact CD1-CG2 3.89Å; I159-I236 HydrophobicContact CG2-CB 4.27Å; I159-I236 HydrophobicContact CG2-CG2 3.69Å; T232-I236 WeakPolarHBondContact O-CB 3.14Å; T232-I236 WeakPolarHBondContact O-CG1 3.42Å; T232-I236 PolarHBondContact O-N 3.44Å; I236-T240 HydrophobicContact CD1-CG2 4.24Å; I236-T240 PolarHBondContact O-OG1 2.88Å; I236-A242 HydrophobicContact CG2-CB 4.18Å; I236-T243 HydrophobicContact CG2-CG2 3.96Å
237	N	95.6	Very high	93	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	I	π-helix	trans	-77	-30.1	-174.3	-69.8	-44.5	0	0	0	114.4	I159 L161 G233 T243 F245 T395	I159-N237 WeakPolarHBondContact CG2-ND2 3.49Å; I159-N237 WeakPolarHBondContact CG2-OD1 3.47Å; L161-N237 HydrophobicContact CD1-CB 4.29Å; G233-N237 WeakPolarHBondContact O-CB 3.35Å; G233-N237 VanDerWaalsContact O-CG 3.29Å; G233-N237 PolarHBondContact O-N 3.23Å; G233-N237 PolarHBondContact O-ND2 3.11Å; N237-T243 WeakPolarHBondContact CA-OG1 3.24Å; N237-T243 VanDerWaalsContact OD1-CB 3.26Å; N237-T243 WeakPolarHBondContact OD1-CB 3.33Å; N237-T243 WeakPolarHBondContact OD1-CG2 3.4Å; N237-T243 PolarHBondContact OD1-OG1 2.96Å; N237-F245 WeakPolarHBondContact O-CB 3.38Å; N237-T395 WeakPolarHBondContact ND2-CB 3.01Å; N237-T395 PolarHBondContact ND2-OG1 3.18Å
238	F	97.1	Very high	92.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-116.5	-32.7	-173.2	-53.5	-67.2	0	0	0	112.9	R145 L161 F224 A234 F245 P254 F300 V302 T395 V397	R145-F238 PolarHBondContact NH2-O 2.73Å; L161-F238 HydrophobicContact CD1-CE1 4.14Å; L161-F238 HydrophobicContact CD1-CZ 4.16Å; F224-F238 HydrophobicContact CD2-CD2 4.46Å; F224-F238 AromaticContact CD2-CE2 3.73Å; F224-F238 HydrophobicContact CD2-CE2 3.73Å; F224-F238 AromaticContact CE2-CE2 4Å; F224-F238 HydrophobicContact CE2-CE2 4Å; A234-F238 HydrophobicContact CB-CD2 4.43Å; A234-F238 WeakPolarHBondContact O-CB 3.49Å; A234-F238 WeakPolarHBondContact O-CD2 3.38Å; A234-F238 PolarHBondContact O-N 2.66Å; F238-F245 AromaticContact CD1-CD2 3.76Å; F238-F245 HydrophobicContact CD1-CD2 3.76Å; F238-F245 AromaticContact CD1-CE2 3.72Å; F238-F245 HydrophobicContact CD1-CE2 3.72Å; F238-F245 HydrophobicContact CE1-CD2 4.24Å; F238-F245 HydrophobicContact CE1-CE2 4.12Å; F238-P254 WeakPolarHBondContact O-CB 3.38Å; F238-P254 WeakPolarHBondContact O-CG 3.07Å; F238-F300 HydrophobicContact CD1-CD1 4.49Å; F238-F300 HydrophobicContact CD1-CE1 4.23Å; F238-F300 AromaticContact CE1-CE1 3.89Å; F238-F300 HydrophobicContact CE1-CE1 3.89Å; F238-V302 HydrophobicContact CB-CG2 4.05Å; F238-V302 HydrophobicContact CD1-CG2 3.81Å; F238-V302 HydrophobicContact CD2-CB 4.36Å; F238-V302 HydrophobicContact CD2-CG1 3.92Å; F238-V302 HydrophobicContact CD2-CG2 3.94Å; F238-V302 HydrophobicContact CE1-CG2 4.24Å; F238-V302 HydrophobicContact CE2-CG1 4.14Å; F238-V302 HydrophobicContact CE2-CG2 4.38Å; F238-V302 HydrophobicContact CG-CB 4.42Å; F238-V302 HydrophobicContact CG-CG1 4.46Å; F238-V302 HydrophobicContact CG-CG2 3.65Å; F238-T395 HydrophobicContact CE2-CG2 3.94Å; F238-T395 HydrophobicContact CZ-CG2 3.93Å; F238-V397 HydrophobicContact CZ-CG2 4.35Å
239	A	97.4	Very high	92.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-87	-20.5	179.9	0	0	0	0	0	112.5	R145 F235 L256 F275	R145-A239 VanDerWaalsContact CG-O 3.32Å; R145-A239 WeakPolarHBondContact CG-O 3.42Å; R145-A239 PolarHBondContact NE-O 2.73Å; F235-A239 HydrophobicContact CD2-CB 3.65Å; F235-A239 HydrophobicContact CE2-CB 3.97Å; F235-A239 HydrophobicContact CG-CB 4.34Å; F235-A239 CarbonylContact O-C 3.17Å; F235-A239 VanDerWaalsContact O-CA 3.28Å; F235-A239 WeakPolarHBondContact O-CA 3.3Å; F235-A239 WeakPolarHBondContact O-CB 3.39Å; F235-A239 PolarHBondContact O-N 3.1Å; A239-L256 HydrophobicContact CB-CD2 4.13Å; A239-F275 HydrophobicContact CB-CB 3.96Å
240	T	95.7	Very high	91.9	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-122	174.2	178.8	85.9	0	0	0	0	112.3	R145 W150 F235 I236 A242 F275	R145-T240 PolarHBondContact NH2-O 2.91Å; W150-T240 HydrophobicContact CB-CG2 4.14Å; W150-T240 HydrophobicContact CD2-CG2 3.87Å; W150-T240 HydrophobicContact CE3-CG2 4.34Å; W150-T240 HydrophobicContact CG-CG2 3.73Å; F235-T240 HydrophobicContact CD1-CG2 4.34Å; F235-T240 HydrophobicContact CE1-CG2 3.88Å; F235-T240 HydrophobicContact CZ-CG2 4Å; F235-T240 PolarHBondContact O-N 2.74Å; I236-T240 HydrophobicContact CD1-CG2 4.24Å; I236-T240 PolarHBondContact O-OG1 2.88Å; T240-A242 WeakPolarHBondContact OG1-CB 3.41Å; T240-A242 PolarHBondContact OG1-N 2.69Å; T240-F275 HydrophobicContact CG2-CD1 4.33Å; T240-F275 HydrophobicContact CG2-CE1 4.46Å
241	E	92	Very high	91.6	Very high	28 Å²	28	15.8 Å²	15.8	13%	0.131	9%	0.091	C	C	.	.	S	Bend	trans	-103.2	12.4	172.9	-70.9	-60	143.9	0	0	113	R145 T243 G244 F245 S246	R145-E241 HydrophobicContact CB-CG 4.25Å; R145-E241 IonicContact CZ-OE1 3.91Å; R145-E241 IonicContact NH1-OE1 2.92Å; R145-E241 PolarHBondContact NH1-OE1 3.02Å; R145-E241 IonicContact NH2-OE1 3.07Å; R145-E241 PolarHBondContact NH2-OE1 3.3Å; R145-E241 PolarHBondContact O-N 3.34Å; E241-T243 PolarHBondContact O-N 3.5Å; E241-G244 WeakPolarHBondContact O-CA 3.19Å; E241-G244 PolarHBondContact O-N 3.26Å; E241-F245 PolarHBondContact OE2-N 3.17Å; E241-S246 PolarHBondContact OE1-OG 3.44Å; E241-S246 WeakPolarHBondContact OE2-CB 3.47Å; E241-S246 PolarHBondContact OE2-N 3Å
242	A	90	Very high	91.5	Very high	5 Å²	5	15.8 Å²	15.8	4%	0.041	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-26.7	-176.3	0	0	0	0	0	113.8	R30 W150 A154 I236 T240	R30-A242 PolarHBondContact NH1-O 2.9Å; W150-A242 HydrophobicContact CB-CB 3.73Å; W150-A242 WeakPolarHBondContact O-CB 3.34Å; A154-A242 HydrophobicContact CB-CB 3.94Å; I236-A242 HydrophobicContact CG2-CB 4.18Å; T240-A242 WeakPolarHBondContact OG1-CB 3.41Å; T240-A242 PolarHBondContact OG1-N 2.69Å
243	T	88.7	Confident	91.5	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.031	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	15.2	172.3	56.5	0	0	0	0	113.1	L28 I159 I236 N237 E241	L28-T243 WeakPolarHBondContact CD1-O 3.4Å; L28-T243 WeakPolarHBondContact CG-O 3.49Å; I159-T243 HydrophobicContact CG2-CG2 4.03Å; I159-T243 VanDerWaalsContact O-CG2 3.28Å; I159-T243 WeakPolarHBondContact O-CG2 3.36Å; I236-T243 HydrophobicContact CG2-CG2 3.96Å; N237-T243 WeakPolarHBondContact CA-OG1 3.24Å; N237-T243 VanDerWaalsContact OD1-CB 3.26Å; N237-T243 WeakPolarHBondContact OD1-CB 3.33Å; N237-T243 WeakPolarHBondContact OD1-CG2 3.4Å; N237-T243 PolarHBondContact OD1-OG1 2.96Å; E241-T243 PolarHBondContact O-N 3.5Å
244	G	85.3	Confident	91.5	Very high	4 Å²	4	20.8 Å²	20.8	4%	0.041	11%	0.113	C	C	.	.			trans	56.7	52	173.8	0	0	0	0	0	114	E241 S246 K247 V248	E241-G244 WeakPolarHBondContact O-CA 3.19Å; E241-G244 PolarHBondContact O-N 3.26Å; G244-S246 VanDerWaalsContact C-N 3.26Å; G244-S246 PolarHBondContact O-N 2.9Å; G244-K247 WeakPolarHBondContact O-CA 3.36Å; G244-K247 VanDerWaalsContact O-CB 3.29Å; G244-K247 WeakPolarHBondContact O-CB 3.11Å; G244-K247 PolarHBondContact O-N 2.88Å; G244-V248 PolarHBondContact O-N 3.2Å
245	F	90.4	Very high	91.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-47.4	-51	171.2	180	-86.2	0	0	0	111.4	L161 N237 F238 E241 K247 V248 F249 F252 P254 F300	L161-F245 HydrophobicContact CD2-CD2 4.25Å; N237-F245 WeakPolarHBondContact O-CB 3.38Å; F238-F245 AromaticContact CD1-CD2 3.76Å; F238-F245 HydrophobicContact CD1-CD2 3.76Å; F238-F245 AromaticContact CD1-CE2 3.72Å; F238-F245 HydrophobicContact CD1-CE2 3.72Å; F238-F245 HydrophobicContact CE1-CD2 4.24Å; F238-F245 HydrophobicContact CE1-CE2 4.12Å; E241-F245 PolarHBondContact OE2-N 3.17Å; F245-K247 PolarHBondContact O-N 3.04Å; F245-K247 VanDerWaalsContact O-N 3.12Å; F245-V248 PolarHBondContact O-N 2.76Å; F245-F249 HydrophobicContact CD1-CB 4.38Å; F245-F249 AromaticContact CD2-CD2 3.8Å; F245-F249 HydrophobicContact CD2-CD2 3.8Å; F245-F249 HydrophobicContact CD2-CE2 4.42Å; F245-F249 HydrophobicContact CE1-CB 3.83Å; F245-F249 HydrophobicContact CE1-CD2 4.37Å; F245-F249 HydrophobicContact CE2-CB 4.37Å; F245-F249 AromaticContact CE2-CD2 3.43Å; F245-F249 HydrophobicContact CE2-CD2 3.43Å; F245-F249 VanDerWaalsContact CE2-CD2 3.43Å; F245-F249 HydrophobicContact CE2-CE2 4.02Å; F245-F249 HydrophobicContact CE2-CG 4.22Å; F245-F249 HydrophobicContact CG-CD2 4.41Å; F245-F249 HydrophobicContact CZ-CB 3.83Å; F245-F249 AromaticContact CZ-CD2 3.75Å; F245-F249 HydrophobicContact CZ-CD2 3.75Å; F245-F249 HydrophobicContact CZ-CG 4.08Å; F245-F249 PolarHBondContact O-N 3.44Å; F245-F252 HydrophobicContact CE1-CB 4.15Å; F245-F252 HydrophobicContact CZ-CB 4.23Å; F245-P254 HydrophobicContact CD1-CB 4Å; F245-P254 HydrophobicContact CD1-CG 3.63Å; F245-P254 HydrophobicContact CD2-CB 4.44Å; F245-P254 HydrophobicContact CE1-CB 3.68Å; F245-P254 HydrophobicContact CE1-CG 3.62Å; F245-P254 HydrophobicContact CE2-CB 4.13Å; F245-P254 HydrophobicContact CG-CB 4.38Å; F245-P254 HydrophobicContact CG-CG 4.26Å; F245-P254 HydrophobicContact CZ-CB 3.75Å; F245-P254 HydrophobicContact CZ-CG 4.23Å; F245-F300 AromaticContact CE2-CD1 3.88Å; F245-F300 HydrophobicContact CE2-CD1 3.88Å; F245-F300 HydrophobicContact CE2-CE1 4.1Å; F245-F300 HydrophobicContact CE2-CG 4.33Å; F245-F300 HydrophobicContact CZ-CB 4.04Å; F245-F300 AromaticContact CZ-CD1 3.92Å; F245-F300 HydrophobicContact CZ-CD1 3.92Å; F245-F300 AromaticContact CZ-CG 3.94Å; F245-F300 HydrophobicContact CZ-CG 3.94Å
246	S	89.9	Confident	91.6	Very high	40 Å²	40	21.6 Å²	21.6	28%	0.28	12%	0.116	S	C	.	.	H	α-helix	trans	-67.9	-10.8	179.9	-67.3	0	0	0	0	114	E241 G244 P250	E241-S246 PolarHBondContact OE1-OG 3.44Å; E241-S246 WeakPolarHBondContact OE2-CB 3.47Å; E241-S246 PolarHBondContact OE2-N 3Å; G244-S246 VanDerWaalsContact C-N 3.26Å; G244-S246 PolarHBondContact O-N 2.9Å; S246-P250 WeakPolarHBondContact O-CA 3.44Å
247	K	84.7	Confident	91.7	Very high	88 Å²	88	21.7 Å²	21.7	38%	0.383	12%	0.117	S	C	.	.	H	α-helix	trans	-83	-36.8	171.4	-68.5	-177.9	171.7	175.8	0	111.4	N16 I18 L28 G244 F245	N16-K247 PolarHBondContact O-NZ 3.29Å; I18-K247 HydrophobicContact CD1-CB 3.64Å; I18-K247 WeakPolarHBondContact CD1-O 3.35Å; I18-K247 HydrophobicContact CG1-CB 4Å; I18-K247 HydrophobicContact CG1-CD 4.41Å; L28-K247 HydrophobicContact CD2-CD 3.97Å; G244-K247 WeakPolarHBondContact O-CA 3.36Å; G244-K247 VanDerWaalsContact O-CB 3.29Å; G244-K247 WeakPolarHBondContact O-CB 3.11Å; G244-K247 PolarHBondContact O-N 2.88Å; F245-K247 PolarHBondContact O-N 3.04Å; F245-K247 VanDerWaalsContact O-N 3.12Å
248	V	81.9	Confident	91.6	Very high	22 Å²	22	23 Å²	23	13%	0.133	12%	0.124	C	C	.	.	H	α-helix	trans	-82.9	-34.8	179.9	-178.6	0	0	0	0	111.5	V26 I163 G244 F245	V26-V248 HydrophobicContact CG1-CG1 4.43Å; V26-V248 HydrophobicContact CG1-CG2 4.11Å; I163-V248 HydrophobicContact CD1-CG1 3.55Å; I163-V248 HydrophobicContact CG1-CG1 3.34Å; G244-V248 PolarHBondContact O-N 3.2Å; F245-V248 PolarHBondContact O-N 2.76Å
249	F	87.4	Confident	91.4	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	14%	0.139	C	C	.	.	S	Bend	trans	-127.7	68.5	-178.1	-60.7	-65.8	0	0	0	110.4	L161 I163 F167 F245 T251 F252 F300 V397	L161-F249 HydrophobicContact CD2-CE2 4.26Å; I163-F249 HydrophobicContact CD1-CE1 4.22Å; I163-F249 HydrophobicContact CD1-CE2 3.7Å; I163-F249 HydrophobicContact CD1-CZ 3.32Å; I163-F249 HydrophobicContact CG1-CZ 4.45Å; F167-F249 HydrophobicContact CE1-CE1 4.1Å; F167-F249 HydrophobicContact CE2-CE1 4.15Å; F167-F249 AromaticContact CZ-CE1 3.54Å; F167-F249 HydrophobicContact CZ-CE1 3.54Å; F167-F249 HydrophobicContact CZ-CZ 4.25Å; F245-F249 HydrophobicContact CD1-CB 4.38Å; F245-F249 AromaticContact CD2-CD2 3.8Å; F245-F249 HydrophobicContact CD2-CD2 3.8Å; F245-F249 HydrophobicContact CD2-CE2 4.42Å; F245-F249 HydrophobicContact CE1-CB 3.83Å; F245-F249 HydrophobicContact CE1-CD2 4.37Å; F245-F249 HydrophobicContact CE2-CB 4.37Å; F245-F249 AromaticContact CE2-CD2 3.43Å; F245-F249 HydrophobicContact CE2-CD2 3.43Å; F245-F249 VanDerWaalsContact CE2-CD2 3.43Å; F245-F249 HydrophobicContact CE2-CE2 4.02Å; F245-F249 HydrophobicContact CE2-CG 4.22Å; F245-F249 HydrophobicContact CG-CD2 4.41Å; F245-F249 HydrophobicContact CZ-CB 3.83Å; F245-F249 AromaticContact CZ-CD2 3.75Å; F245-F249 HydrophobicContact CZ-CD2 3.75Å; F245-F249 HydrophobicContact CZ-CG 4.08Å; F245-F249 PolarHBondContact O-N 3.44Å; F249-T251 VanDerWaalsContact C-N 3.29Å; F249-T251 PolarHBondContact O-N 3.18Å; F249-F252 HydrophobicContact CB-CB 3.93Å; F249-F252 HydrophobicContact CB-CD2 3.78Å; F249-F252 HydrophobicContact CB-CG 4.21Å; F249-F252 HydrophobicContact CD1-CD2 4.09Å; F249-F252 HydrophobicContact CD1-CE2 4.48Å; F249-F252 HydrophobicContact CG-CD2 4.36Å; F249-F252 PolarHBondContact O-N 2.9Å; F249-F300 HydrophobicContact CE2-CZ 4.48Å; F249-F300 HydrophobicContact CZ-CE2 4.47Å; F249-F300 HydrophobicContact CZ-CZ 4.4Å; F249-V397 HydrophobicContact CZ-CG1 4.3Å
250	P	84.7	Confident	91.1	Very high	59 Å²	59	31.2 Å²	31.2	38%	0.383	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.4	-168.1	25.5	-35.3	0	0	0	115.1	S246	S246-P250 WeakPolarHBondContact O-CA 3.44Å
251	T	86.8	Confident	90.9	Very high	65 Å²	65	33.3 Å²	33.3	40%	0.399	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-5.5	-178.2	53.2	0	0	0	0	113.4	T216 F249	T216-T251 HydrophobicContact CG2-CG2 4.29Å; T216-T251 VanDerWaalsContact CG2-OG1 3.23Å; T216-T251 WeakPolarHBondContact CG2-OG1 3.41Å; F249-T251 VanDerWaalsContact C-N 3.29Å; F249-T251 PolarHBondContact O-N 3.18Å
252	F	92.6	Very high	90.8	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.035	19%	0.187	C	C	.	.			trans	-95.1	147.5	-174.6	-71.3	-80.3	0	0	0	112.9	L214 T216 Y220 F245 F249 G298 F300	L214-F252 HydrophobicContact CB-CE2 3.98Å; L214-F252 HydrophobicContact CB-CZ 3.65Å; L214-F252 HydrophobicContact CD1-CE2 4.15Å; L214-F252 HydrophobicContact CD1-CZ 3.93Å; L214-F252 HydrophobicContact CG-CZ 4.45Å; T216-F252 HydrophobicContact CG2-CZ 4.49Å; Y220-F252 HydrophobicContact CD2-CD1 4.12Å; Y220-F252 AromaticContact CD2-CE1 3.45Å; Y220-F252 HydrophobicContact CD2-CE1 3.45Å; Y220-F252 VanDerWaalsContact CD2-CE1 3.45Å; Y220-F252 HydrophobicContact CD2-CZ 4.29Å; Y220-F252 HydrophobicContact CE2-CD1 4.32Å; Y220-F252 AromaticContact CE2-CE1 3.25Å; Y220-F252 HydrophobicContact CE2-CE1 3.25Å; Y220-F252 AromaticContact CE2-CZ 3.74Å; Y220-F252 HydrophobicContact CE2-CZ 3.74Å; Y220-F252 HydrophobicContact CG-CE1 4.42Å; F245-F252 HydrophobicContact CE1-CB 4.15Å; F245-F252 HydrophobicContact CZ-CB 4.23Å; F249-F252 HydrophobicContact CB-CB 3.93Å; F249-F252 HydrophobicContact CB-CD2 3.78Å; F249-F252 HydrophobicContact CB-CG 4.21Å; F249-F252 HydrophobicContact CD1-CD2 4.09Å; F249-F252 HydrophobicContact CD1-CE2 4.48Å; F249-F252 HydrophobicContact CG-CD2 4.36Å; F249-F252 PolarHBondContact O-N 2.9Å; F252-G298 WeakPolarHBondContact CA-O 3.43Å; F252-G298 WeakPolarHBondContact CD1-O 3.05Å; F252-F300 HydrophobicContact CB-CB 4.26Å; F252-F300 HydrophobicContact CD1-CB 4.42Å; F252-F300 HydrophobicContact CD1-CD2 4.25Å; F252-F300 HydrophobicContact CG-CD2 4.48Å
253	K	94.5	Very high	91	Very high	93 Å²	93	35.2 Å²	35.2	40%	0.404	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	109.3	175.1	-60.9	-178.8	-170.1	-179.9	0	109.8	Y255 G298 F300	K253-Y255 HydrophobicContact CB-CE2 3.88Å; K253-Y255 WeakPolarHBondContact O-CD2 3.38Å; K253-G298 PolarHBondContact N-O 3.24Å; K253-F300 PolarHBondContact O-N 3.19Å
254	P	96.9	Very high	91.2	Very high	12 Å²	12	39.9 Å²	39.9	8%	0.078	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	138.9	-178.9	30.9	-31.6	0	0	0	111.3	F238 F245 F300	F238-P254 WeakPolarHBondContact O-CB 3.38Å; F238-P254 WeakPolarHBondContact O-CG 3.07Å; F245-P254 HydrophobicContact CD1-CB 4Å; F245-P254 HydrophobicContact CD1-CG 3.63Å; F245-P254 HydrophobicContact CD2-CB 4.44Å; F245-P254 HydrophobicContact CE1-CB 3.68Å; F245-P254 HydrophobicContact CE1-CG 3.62Å; F245-P254 HydrophobicContact CE2-CB 4.13Å; F245-P254 HydrophobicContact CG-CB 4.38Å; F245-P254 HydrophobicContact CG-CG 4.26Å; F245-P254 HydrophobicContact CZ-CB 3.75Å; F245-P254 HydrophobicContact CZ-CG 4.23Å; P254-F300 WeakPolarHBondContact CA-O 3.24Å
255	Y	98.4	Very high	91.5	Very high	16 Å²	16	39.9 Å²	39.9	6%	0.063	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.5	170.7	-67	-81.8	0	0	0	109.3	G137 P140 K253 G276 I278 L288 Q296 N299 F300 V302	G137-Y255 WeakPolarHBondContact O-CE1 3.28Å; P140-Y255 HydrophobicContact CG-CE1 4.33Å; K253-Y255 HydrophobicContact CB-CE2 3.88Å; K253-Y255 WeakPolarHBondContact O-CD2 3.38Å; Y255-G276 WeakPolarHBondContact CA-O 3.33Å; Y255-G276 WeakPolarHBondContact CD1-O 3.44Å; Y255-I278 HydrophobicContact CD1-CG2 4.16Å; Y255-L288 HydrophobicContact CD1-CD1 3.77Å; Y255-L288 HydrophobicContact CD2-CD1 3.66Å; Y255-L288 HydrophobicContact CD2-CD2 4.34Å; Y255-L288 HydrophobicContact CE1-CD1 4.27Å; Y255-L288 HydrophobicContact CE1-CD2 4.44Å; Y255-L288 HydrophobicContact CE2-CD1 4.14Å; Y255-L288 HydrophobicContact CE2-CD2 3.99Å; Y255-L288 HydrophobicContact CG-CD1 3.43Å; Y255-L288 VanDerWaalsContact CG-CD1 3.43Å; Y255-Q296 PolarHBondContact OH-NE2 2.65Å; Y255-N299 HydrophobicContact CD2-CB 4.35Å; Y255-N299 HydrophobicContact CE2-CB 4.32Å; Y255-F300 PolarHBondContact N-O 3.38Å; Y255-V302 PolarHBondContact O-N 3.44Å
256	L	98.4	Very high	91.5	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.3	178.6	178.1	63.1	0	0	0	110.2	A234 F235 A239 I258 G276 M277 I278 V302 V304	A234-L256 HydrophobicContact CB-CD1 4Å; A234-L256 HydrophobicContact CB-CD2 4.4Å; F235-L256 HydrophobicContact CB-CD2 4.5Å; A239-L256 HydrophobicContact CB-CD2 4.13Å; L256-I258 HydrophobicContact CD2-CG2 4.47Å; L256-I258 HydrophobicContact CG-CG2 4.11Å; L256-G276 PolarHBondContact N-O 3.29Å; L256-M277 HydrophobicContact CB-CG 4.02Å; L256-M277 HydrophobicContact CD2-CG 4.29Å; L256-M277 HydrophobicContact CD2-SD 4.35Å; L256-M277 HydrophobicContact CG-CG 4.37Å; L256-M277 CarbonylContact O-C 3.47Å; L256-M277 WeakPolarHBondContact O-CA 3.47Å; L256-I278 PolarHBondContact O-N 2.73Å; L256-V302 HydrophobicContact CD1-CB 4.08Å; L256-V302 HydrophobicContact CD1-CG1 4.03Å; L256-V304 HydrophobicContact CD1-CG2 4.18Å
257	A	97.9	Very high	91.7	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.025	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.3	-179.4	0	0	0	0	0	111.5	I278 A280 L285 V302 V303	A257-I278 WeakPolarHBondContact CA-O 3.22Å; A257-I278 HydrophobicContact CB-CD1 4.18Å; A257-I278 HydrophobicContact CB-CG1 4.02Å; A257-A280 HydrophobicContact CB-CB 3.97Å; A257-L285 HydrophobicContact CB-CD2 3.74Å; A257-V302 WeakPolarHBondContact CB-O 3.49Å; A257-V302 PolarHBondContact N-O 3.2Å; A257-V303 HydrophobicContact CB-CG2 3.96Å
258	I	94	Very high	92.2	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.138	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	169.7	-179.7	67.9	173.7	0	0	0	111.3	L256 K260 H262 F263 L272 M277 I278 A280	L256-I258 HydrophobicContact CD2-CG2 4.47Å; L256-I258 HydrophobicContact CG-CG2 4.11Å; I258-K260 PolarHBondContact O-N 2.9Å; I258-H262 HydrophobicContact CD1-CB 3.82Å; I258-F263 HydrophobicContact CD1-CE2 3.98Å; I258-F263 HydrophobicContact CD1-CZ 4Å; I258-F263 HydrophobicContact CG1-CE2 3.5Å; I258-F263 HydrophobicContact CG1-CZ 3.79Å; I258-L272 HydrophobicContact CD1-CD1 4.11Å; I258-L272 HydrophobicContact CD1-CD2 4.34Å; I258-M277 HydrophobicContact CD1-CB 4.38Å; I258-M277 HydrophobicContact CD1-SD 3.91Å; I258-M277 HydrophobicContact CG2-SD 4.39Å; I258-I278 PolarHBondContact N-O 3.04Å; I258-A280 WeakPolarHBondContact O-CB 3.39Å; I258-A280 PolarHBondContact O-N 2.91Å
259	L	91.9	Very high	92.9	Very high	59 Å²	59	36.5 Å²	36.5	31%	0.309	19%	0.189	S	C	.	.			trans	-57.2	132.3	-178.8	-179.5	66.6	0	0	0	112.2	A261 H262 T375 V376	L259-A261 HydrophobicContact CD2-CB 3.87Å; L259-A261 HydrophobicContact CG-CB 3.97Å; L259-A261 PolarHBondContact O-N 2.97Å; L259-H262 PolarHBondContact O-N 2.77Å; L259-H262 VanDerWaalsContact O-N 3.09Å; L259-H262 PolarHBondContact O-ND1 2.92Å; L259-H262 VanDerWaalsContact O-ND1 3.14Å; L259-T375 HydrophobicContact CD1-CG2 3.91Å; L259-T375 WeakPolarHBondContact CD2-O 3.23Å; L259-V376 HydrophobicContact CD2-CG2 3.55Å
260	K	92.1	Very high	93.3	Very high	114 Å²	114	37.6 Å²	37.6	50%	0.496	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-51.6	-31.4	-179.4	-176	177.2	178.5	177	0	113.6	I258 H262 F263 A279 T281	I258-K260 PolarHBondContact O-N 2.9Å; K260-H262 PolarHBondContact O-N 2.81Å; K260-F263 PolarHBondContact O-N 2.83Å; K260-A279 HydrophobicContact CB-CB 4.24Å; K260-A279 HydrophobicContact CG-CB 4.37Å; K260-T281 HydrophobicContact CB-CG2 4.19Å; K260-T281 HydrophobicContact CD-CG2 4Å; K260-T281 HydrophobicContact CG-CG2 4.42Å
261	A	90	Very high	93.9	Very high	44 Å²	44	38.1 Å²	38.1	36%	0.364	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-54.3	-34.7	179.3	0	0	0	0	0	113.4	L259 F263 I264	L259-A261 HydrophobicContact CD2-CB 3.87Å; L259-A261 HydrophobicContact CG-CB 3.97Å; L259-A261 PolarHBondContact O-N 2.97Å; A261-F263 PolarHBondContact O-N 2.89Å; A261-F263 VanDerWaalsContact O-N 3.16Å; A261-I264 WeakPolarHBondContact O-CB 3.42Å; A261-I264 WeakPolarHBondContact O-CG1 3.27Å; A261-I264 PolarHBondContact O-N 2.81Å
262	H	91.2	Very high	94.4	Very high	61 Å²	61	35 Å²	35	28%	0.282	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-63	-22	178.1	-66.4	91.3	0	0	0	113.3	I258 L259 K260 Y268 L272	I258-H262 HydrophobicContact CD1-CB 3.82Å; L259-H262 PolarHBondContact O-N 2.77Å; L259-H262 VanDerWaalsContact O-N 3.09Å; L259-H262 PolarHBondContact O-ND1 2.92Å; L259-H262 VanDerWaalsContact O-ND1 3.14Å; K260-H262 PolarHBondContact O-N 2.81Å; H262-Y268 HydrophobicContact CB-CE1 4.27Å; H262-Y268 WeakPolarHBondContact O-CD1 3.49Å; H262-L272 HydrophobicContact CB-CD1 3.69Å; H262-L272 WeakPolarHBondContact O-CD1 3.23Å
263	F	93.9	Very high	94.6	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.048	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-93.1	2.6	-178.6	-60.8	-84.7	0	0	0	113.6	N134 I258 K260 A261 R269 L272 M273 M277 I278 A279	N134-F263 HydrophobicContact CB-CB 4.15Å; N134-F263 HydrophobicContact CB-CD1 3.41Å; N134-F263 VanDerWaalsContact CB-CD1 3.41Å; N134-F263 HydrophobicContact CB-CD2 4.25Å; N134-F263 HydrophobicContact CB-CE1 3.78Å; N134-F263 HydrophobicContact CB-CG 3.67Å; N134-F263 HydrophobicContact CB-CZ 4.35Å; N134-F263 VanDerWaalsContact ND2-CB 3.3Å; N134-F263 WeakPolarHBondContact ND2-CB 3.24Å; N134-F263 WeakPolarHBondContact ND2-CG 3.41Å; I258-F263 HydrophobicContact CD1-CE2 3.98Å; I258-F263 HydrophobicContact CD1-CZ 4Å; I258-F263 HydrophobicContact CG1-CE2 3.5Å; I258-F263 HydrophobicContact CG1-CZ 3.79Å; K260-F263 PolarHBondContact O-N 2.83Å; A261-F263 PolarHBondContact O-N 2.89Å; A261-F263 VanDerWaalsContact O-N 3.16Å; F263-R269 HydrophobicContact CB-CG 3.99Å; F263-R269 HydrophobicContact CD1-CG 3.9Å; F263-R269 HydrophobicContact CG-CG 4.45Å; F263-R269 WeakPolarHBondContact O-CD 3.44Å; F263-R269 WeakPolarHBondContact O-CG 3.39Å; F263-L272 HydrophobicContact CE1-CB 4.21Å; F263-M273 HydrophobicContact CD1-CG 4.23Å; F263-M273 HydrophobicContact CE1-CG 3.98Å; F263-M277 HydrophobicContact CZ-CB 4.19Å; F263-I278 VanDerWaalsContact CE2-C 3.45Å; F263-I278 WeakPolarHBondContact CE2-O 3.49Å; F263-I278 WeakPolarHBondContact CZ-O 3.47Å; F263-A279 HydrophobicContact CD2-CB 3.96Å; F263-A279 HydrophobicContact CE2-CB 3.96Å
264	I	92	Very high	94.8	Very high	103 Å²	103	32.6 Å²	32.6	53%	0.528	16%	0.164	S	C	.	.	S	Bend	trans	-75.3	-41.7	178.6	-63.6	173.9	0	0	0	111.1	A261	A261-I264 WeakPolarHBondContact O-CB 3.42Å; A261-I264 WeakPolarHBondContact O-CG1 3.27Å; A261-I264 PolarHBondContact O-N 2.81Å
265	A	91.8	Very high	94.8	Very high	5 Å²	5	32.1 Å²	32.1	4%	0.041	16%	0.161	C	C	.	.	S	Bend	trans	-74.4	121.8	-177	0	0	0	0	0	110.9	G64 C67 L68 R269	G64-A265 WeakPolarHBondContact O-CB 3.43Å; C67-A265 HydrophobicContact CB-CB 4.3Å; L68-A265 HydrophobicContact CD1-CB 4.46Å; L68-A265 HydrophobicContact CD2-CB 4.26Å; L68-A265 HydrophobicContact CG-CB 3.9Å; A265-R269 WeakPolarHBondContact O-CB 3.43Å; A265-R269 PolarHBondContact O-N 3.03Å
266	P	90.6	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	162.8	173.6	26.4	-32.9	0	0	0	110.6	C67 L71 Y123 W127 Y268	C67-P266 WeakPolarHBondContact CB-O 3.3Å; L71-P266 HydrophobicContact CB-CG 4.2Å; L71-P266 HydrophobicContact CD1-CG 4.2Å; L71-P266 HydrophobicContact CD2-CG 3.92Å; L71-P266 HydrophobicContact CG-CG 4.33Å; Y123-P266 HydrophobicContact CE1-CB 3.79Å; Y123-P266 WeakPolarHBondContact OH-CB 3.4Å; W127-P266 HydrophobicContact CD2-CB 4.09Å; W127-P266 HydrophobicContact CE3-CB 4.37Å; W127-P266 HydrophobicContact CH2-CB 4.35Å; W127-P266 HydrophobicContact CH2-CG 4.18Å; W127-P266 HydrophobicContact CZ2-CB 4.06Å; W127-P266 HydrophobicContact CZ2-CG 4.25Å; W127-P266 HydrophobicContact CZ3-CB 4.5Å; W127-P266 HydrophobicContact CZ3-CG 4.44Å; P266-Y268 PolarHBondContact O-N 3.25Å
267	F	93.7	Very high	94.7	Very high	69 Å²	69	31.1 Å²	31.1	30%	0.303	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	-51.5	-173.1	-44.1	-67.4	0	0	0	114.3	C67 I70 Y123 D270 F271	C67-F267 HydrophobicContact CB-CD2 4.36Å; I70-F267 HydrophobicContact CG2-CE2 4.16Å; Y123-F267 HydrophobicContact CD1-CD1 4.36Å; Y123-F267 AromaticContact CD1-CE1 3.48Å; Y123-F267 HydrophobicContact CD1-CE1 3.48Å; Y123-F267 VanDerWaalsContact CD1-CE1 3.48Å; Y123-F267 AromaticContact CD1-CZ 3.7Å; Y123-F267 HydrophobicContact CD1-CZ 3.7Å; Y123-F267 HydrophobicContact CD2-CD1 4.34Å; Y123-F267 AromaticContact CD2-CE1 3.86Å; Y123-F267 HydrophobicContact CD2-CE1 3.86Å; Y123-F267 AromaticContact CE1-CD1 3.8Å; Y123-F267 HydrophobicContact CE1-CD1 3.8Å; Y123-F267 AromaticContact CE1-CE1 3.31Å; Y123-F267 HydrophobicContact CE1-CE1 3.31Å; Y123-F267 HydrophobicContact CE1-CE2 4.31Å; Y123-F267 HydrophobicContact CE1-CG 4.47Å; Y123-F267 AromaticContact CE1-CZ 3.61Å; Y123-F267 HydrophobicContact CE1-CZ 3.61Å; Y123-F267 AromaticContact CE2-CD1 3.76Å; Y123-F267 HydrophobicContact CE2-CD1 3.76Å; Y123-F267 AromaticContact CE2-CE1 3.71Å; Y123-F267 HydrophobicContact CE2-CE1 3.71Å; Y123-F267 AromaticContact CG-CE1 3.76Å; Y123-F267 HydrophobicContact CG-CE1 3.76Å; Y123-F267 HydrophobicContact CG-CZ 4.34Å; Y123-F267 AromaticContact CZ-CD1 3.46Å; Y123-F267 VanDerWaalsContact CZ-CD1 3.46Å; Y123-F267 AromaticContact CZ-CE1 3.44Å; Y123-F267 VanDerWaalsContact CZ-CE1 3.44Å; Y123-F267 PolarHBondContact OH-N 3.27Å; F267-D270 PolarHBondContact O-N 3.4Å; F267-F271 WeakPolarHBondContact O-CB 3.43Å; F267-F271 PolarHBondContact O-N 3.26Å
268	Y	96.2	Very high	94.7	Very high	8 Å²	8	31 Å²	31	3%	0.031	16%	0.155	C	C	.	.	H	α-helix	trans	-64.6	-43.7	174.1	-177.7	-124.1	0	0	0	111.1	T59 H262 P266 D270 F271 L272	T59-Y268 HydrophobicContact CG2-CE2 3.96Å; H262-Y268 HydrophobicContact CB-CE1 4.27Å; H262-Y268 WeakPolarHBondContact O-CD1 3.49Å; P266-Y268 PolarHBondContact O-N 3.25Å; Y268-D270 VanDerWaalsContact C-N 3.32Å; Y268-D270 PolarHBondContact O-N 2.75Å; Y268-F271 HydrophobicContact CD2-CD1 4.18Å; Y268-F271 HydrophobicContact CE2-CD1 4.22Å; Y268-F271 WeakPolarHBondContact O-CB 3.39Å; Y268-F271 PolarHBondContact O-N 3.28Å; Y268-L272 HydrophobicContact CD1-CD1 3.91Å; Y268-L272 HydrophobicContact CD2-CG 4.34Å; Y268-L272 HydrophobicContact CE1-CD1 3.6Å; Y268-L272 HydrophobicContact CE1-CD2 4.48Å; Y268-L272 HydrophobicContact CE1-CG 4.25Å; Y268-L272 HydrophobicContact CE2-CD1 4.28Å; Y268-L272 HydrophobicContact CE2-CD2 3.93Å; Y268-L272 HydrophobicContact CE2-CG 4.02Å; Y268-L272 HydrophobicContact CG-CD1 4.4Å; Y268-L272 VanDerWaalsContact O-CG 3.27Å; Y268-L272 WeakPolarHBondContact O-CG 3.49Å; Y268-L272 PolarHBondContact O-N 3.43Å
269	R	95.6	Very high	94.8	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-49.8	-52.9	169.9	178.3	-159.5	157.9	-161	-14.6	111.6	W127 D130 W131 F263 A265 L272 M273	W127-R269 VanDerWaalsContact CD1-NH1 3.29Å; D130-R269 PolarHBondContact O-NH1 3.35Å; D130-R269 PolarHBondContact O-NH2 3.29Å; D130-R269 IonicContact OD2-CZ 3.61Å; D130-R269 IonicContact OD2-NH2 2.69Å; D130-R269 PolarHBondContact OD2-NH2 3.01Å; W131-R269 PolarHBondContact O-NH1 3.27Å; F263-R269 HydrophobicContact CB-CG 3.99Å; F263-R269 HydrophobicContact CD1-CG 3.9Å; F263-R269 HydrophobicContact CG-CG 4.45Å; F263-R269 WeakPolarHBondContact O-CD 3.44Å; F263-R269 WeakPolarHBondContact O-CG 3.39Å; A265-R269 WeakPolarHBondContact O-CB 3.43Å; A265-R269 PolarHBondContact O-N 3.03Å; R269-L272 WeakPolarHBondContact O-CB 3.36Å; R269-L272 PolarHBondContact O-N 3.25Å; R269-M273 HydrophobicContact CG-SD 3.93Å; R269-M273 PolarHBondContact NE-SD 2.74Å; R269-M273 PolarHBondContact NH2-SD 3.28Å; R269-M273 VanDerWaalsContact NH2-SD 3.37Å; R269-M273 VanDerWaalsContact O-CG 3.29Å; R269-M273 WeakPolarHBondContact O-CG 3.14Å; R269-M273 PolarHBondContact O-N 3.47Å
270	D	96.1	Very high	95	Very high	25 Å²	25	29 Å²	29	13%	0.134	15%	0.152	C	C	.	.	H	α-helix	trans	-65	-43.7	-177	-57.6	-40.8	0	0	0	110.5	Y123 F267 Y268 L272 M273 L274	Y123-D270 WeakPolarHBondContact CE2-OD2 3.32Å; Y123-D270 PolarHBondContact OH-OD2 2.65Å; F267-D270 PolarHBondContact O-N 3.4Å; Y268-D270 VanDerWaalsContact C-N 3.32Å; Y268-D270 PolarHBondContact O-N 2.75Å; D270-L272 VanDerWaalsContact C-N 3.31Å; D270-L272 PolarHBondContact O-N 3Å; D270-M273 WeakPolarHBondContact O-CA 3.29Å; D270-M273 WeakPolarHBondContact O-CB 3.34Å; D270-M273 PolarHBondContact O-N 3.31Å; D270-L274 WeakPolarHBondContact O-CG 3.49Å; D270-L274 PolarHBondContact O-N 3.3Å
271	F	96.5	Very high	95.1	Very high	69 Å²	69	25.1 Å²	25.1	30%	0.303	14%	0.138	S	C	.	.	H	α-helix	trans	-53.1	-47.8	173.5	171.3	-99.1	0	0	0	111.7	T59 F267 Y268 M273 L274 F275	T59-F271 HydrophobicContact CG2-CD1 4.37Å; T59-F271 HydrophobicContact CG2-CE1 3.71Å; T59-F271 HydrophobicContact CG2-CZ 4.27Å; F267-F271 WeakPolarHBondContact O-CB 3.43Å; F267-F271 PolarHBondContact O-N 3.26Å; Y268-F271 HydrophobicContact CD2-CD1 4.18Å; Y268-F271 HydrophobicContact CE2-CD1 4.22Å; Y268-F271 WeakPolarHBondContact O-CB 3.39Å; Y268-F271 PolarHBondContact O-N 3.28Å; F271-M273 VanDerWaalsContact C-N 3.3Å; F271-M273 PolarHBondContact O-N 2.87Å; F271-L274 WeakPolarHBondContact O-CB 3.06Å; F271-L274 PolarHBondContact O-N 3.11Å; F271-F275 HydrophobicContact CD1-CE2 4.16Å; F271-F275 HydrophobicContact CD2-CE2 4.02Å; F271-F275 AromaticContact CE1-CE2 3.73Å; F271-F275 HydrophobicContact CE1-CE2 3.73Å; F271-F275 HydrophobicContact CE1-CZ 4.44Å; F271-F275 AromaticContact CE2-CE2 3.58Å; F271-F275 HydrophobicContact CE2-CE2 3.58Å; F271-F275 AromaticContact CE2-CZ 3.88Å; F271-F275 HydrophobicContact CE2-CZ 3.88Å; F271-F275 HydrophobicContact CG-CE2 4.3Å; F271-F275 AromaticContact CZ-CE2 3.43Å; F271-F275 HydrophobicContact CZ-CE2 3.43Å; F271-F275 VanDerWaalsContact CZ-CE2 3.43Å; F271-F275 AromaticContact CZ-CZ 3.75Å; F271-F275 HydrophobicContact CZ-CZ 3.75Å; F271-F275 WeakPolarHBondContact O-CD2 3.46Å; F271-F275 VanDerWaalsContact O-CE2 3.31Å; F271-F275 WeakPolarHBondContact O-CE2 3.47Å
272	L	97.5	Very high	95.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.8	-41.5	177	-65.9	168.4	0	0	0	111.4	F60 I258 H262 F263 Y268 R269 D270 L274 F275 M277	F60-L272 HydrophobicContact CE1-CD2 4.12Å; F60-L272 HydrophobicContact CZ-CD2 4.4Å; I258-L272 HydrophobicContact CD1-CD1 4.11Å; I258-L272 HydrophobicContact CD1-CD2 4.34Å; H262-L272 HydrophobicContact CB-CD1 3.69Å; H262-L272 WeakPolarHBondContact O-CD1 3.23Å; F263-L272 HydrophobicContact CE1-CB 4.21Å; Y268-L272 HydrophobicContact CD1-CD1 3.91Å; Y268-L272 HydrophobicContact CD2-CG 4.34Å; Y268-L272 HydrophobicContact CE1-CD1 3.6Å; Y268-L272 HydrophobicContact CE1-CD2 4.48Å; Y268-L272 HydrophobicContact CE1-CG 4.25Å; Y268-L272 HydrophobicContact CE2-CD1 4.28Å; Y268-L272 HydrophobicContact CE2-CD2 3.93Å; Y268-L272 HydrophobicContact CE2-CG 4.02Å; Y268-L272 HydrophobicContact CG-CD1 4.4Å; Y268-L272 VanDerWaalsContact O-CG 3.27Å; Y268-L272 WeakPolarHBondContact O-CG 3.49Å; Y268-L272 PolarHBondContact O-N 3.43Å; R269-L272 WeakPolarHBondContact O-CB 3.36Å; R269-L272 PolarHBondContact O-N 3.25Å; D270-L272 VanDerWaalsContact C-N 3.31Å; D270-L272 PolarHBondContact O-N 3Å; L272-L274 PolarHBondContact O-N 3.36Å; L272-F275 PolarHBondContact O-N 3.35Å; L272-F275 VanDerWaalsContact O-N 3.08Å; L272-M277 HydrophobicContact CB-CB 4.36Å; L272-M277 HydrophobicContact CB-CE 3.97Å; L272-M277 HydrophobicContact CD2-CE 3.36Å; L272-M277 HydrophobicContact CD2-SD 3.86Å; L272-M277 HydrophobicContact CG-CE 4.28Å; L272-M277 WeakPolarHBondContact O-CB 3.27Å; L272-M277 PolarHBondContact O-N 3.3Å
273	M	97.9	Very high	95.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-65.6	-27	-178.9	-72.1	174.5	64.4	0	0	113.5	N134 S138 H139 F263 R269 D270 F271 F275 G276	N134-M273 HydrophobicContact CB-SD 4.39Å; S138-M273 WeakPolarHBondContact OG-CA 3.45Å; S138-M273 WeakPolarHBondContact OG-CB 3.35Å; S138-M273 WeakPolarHBondContact OG-CG 3.44Å; S138-M273 PolarHBondContact OG-O 3.29Å; S138-M273 VanDerWaalsContact OG-O 3.05Å; H139-M273 CarbonylContact C-O 3.58Å; H139-M273 WeakPolarHBondContact CD2-CE 3.28Å; H139-M273 PolarHBondContact N-O 3.41Å; F263-M273 HydrophobicContact CD1-CG 4.23Å; F263-M273 HydrophobicContact CE1-CG 3.98Å; R269-M273 HydrophobicContact CG-SD 3.93Å; R269-M273 PolarHBondContact NE-SD 2.74Å; R269-M273 PolarHBondContact NH2-SD 3.28Å; R269-M273 VanDerWaalsContact NH2-SD 3.37Å; R269-M273 VanDerWaalsContact O-CG 3.29Å; R269-M273 WeakPolarHBondContact O-CG 3.14Å; R269-M273 PolarHBondContact O-N 3.47Å; D270-M273 WeakPolarHBondContact O-CA 3.29Å; D270-M273 WeakPolarHBondContact O-CB 3.34Å; D270-M273 PolarHBondContact O-N 3.31Å; F271-M273 VanDerWaalsContact C-N 3.3Å; F271-M273 PolarHBondContact O-N 2.87Å; M273-F275 PolarHBondContact O-N 3.07Å; M273-F275 VanDerWaalsContact O-N 3.17Å; M273-G276 PolarHBondContact O-N 3.19Å
274	L	97.6	Very high	95.6	Very high	50 Å²	50	32.7 Å²	32.7	26%	0.262	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.2	172.8	-61.2	174	0	0	0	113.1	P140 R141 I144 D270 F271 L272	P140-L274 CarbonylContact C-O 3.57Å; P140-L274 WeakPolarHBondContact CA-O 3.32Å; R141-L274 HydrophobicContact CB-CD2 4.36Å; R141-L274 HydrophobicContact CG-CD2 3.49Å; R141-L274 VanDerWaalsContact CG-CD2 3.49Å; R141-L274 PolarHBondContact N-O 3.5Å; I144-L274 HydrophobicContact CG1-CB 4.38Å; I144-L274 HydrophobicContact CG1-CD1 4.32Å; I144-L274 HydrophobicContact CG2-CB 4.2Å; D270-L274 WeakPolarHBondContact O-CG 3.49Å; D270-L274 PolarHBondContact O-N 3.3Å; F271-L274 WeakPolarHBondContact O-CB 3.06Å; F271-L274 PolarHBondContact O-N 3.11Å; L272-L274 PolarHBondContact O-N 3.36Å
275	F	97.7	Very high	95.9	Very high	1 Å²	1	28.5 Å²	28.5	0%	0.004	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	4.3	177.5	-60.7	-87.1	0	0	0	113.7	I144 W150 F235 A239 T240 F271 L272 M273 M277	I144-F275 HydrophobicContact CG2-CD1 4.24Å; I144-F275 HydrophobicContact CG2-CE1 3.67Å; I144-F275 HydrophobicContact CG2-CE2 4.19Å; I144-F275 HydrophobicContact CG2-CZ 3.63Å; W150-F275 AromaticContact CE2-CE1 3.63Å; W150-F275 AromaticContact CH2-CE1 3.97Å; W150-F275 HydrophobicContact CH2-CE1 3.97Å; W150-F275 AromaticContact CH2-CZ 3.75Å; W150-F275 HydrophobicContact CH2-CZ 3.75Å; W150-F275 AromaticContact CZ2-CE1 3.32Å; W150-F275 HydrophobicContact CZ2-CE1 3.32Å; W150-F275 AromaticContact CZ2-CZ 3.34Å; W150-F275 HydrophobicContact CZ2-CZ 3.34Å; W150-F275 AromaticContact NE1-CE1 3.88Å; F235-F275 HydrophobicContact CE2-CD1 4.09Å; F235-F275 HydrophobicContact CE2-CD2 4.44Å; F235-F275 HydrophobicContact CE2-CE1 4.36Å; F235-F275 HydrophobicContact CE2-CG 4.13Å; F235-F275 HydrophobicContact CZ-CD1 4.11Å; F235-F275 AromaticContact CZ-CE1 3.96Å; F235-F275 HydrophobicContact CZ-CE1 3.96Å; F235-F275 HydrophobicContact CZ-CZ 4.29Å; A239-F275 HydrophobicContact CB-CB 3.96Å; T240-F275 HydrophobicContact CG2-CD1 4.33Å; T240-F275 HydrophobicContact CG2-CE1 4.46Å; F271-F275 HydrophobicContact CD1-CE2 4.16Å; F271-F275 HydrophobicContact CD2-CE2 4.02Å; F271-F275 AromaticContact CE1-CE2 3.73Å; F271-F275 HydrophobicContact CE1-CE2 3.73Å; F271-F275 HydrophobicContact CE1-CZ 4.44Å; F271-F275 AromaticContact CE2-CE2 3.58Å; F271-F275 HydrophobicContact CE2-CE2 3.58Å; F271-F275 AromaticContact CE2-CZ 3.88Å; F271-F275 HydrophobicContact CE2-CZ 3.88Å; F271-F275 HydrophobicContact CG-CE2 4.3Å; F271-F275 AromaticContact CZ-CE2 3.43Å; F271-F275 HydrophobicContact CZ-CE2 3.43Å; F271-F275 VanDerWaalsContact CZ-CE2 3.43Å; F271-F275 AromaticContact CZ-CZ 3.75Å; F271-F275 HydrophobicContact CZ-CZ 3.75Å; F271-F275 WeakPolarHBondContact O-CD2 3.46Å; F271-F275 VanDerWaalsContact O-CE2 3.31Å; F271-F275 WeakPolarHBondContact O-CE2 3.47Å; L272-F275 PolarHBondContact O-N 3.35Å; L272-F275 VanDerWaalsContact O-N 3.08Å; M273-F275 PolarHBondContact O-N 3.07Å; M273-F275 VanDerWaalsContact O-N 3.17Å; F275-M277 VanDerWaalsContact C-N 3.28Å; F275-M277 HydrophobicContact CB-CE 3.74Å; F275-M277 HydrophobicContact CB-CG 4.48Å; F275-M277 HydrophobicContact CD2-CE 3.75Å; F275-M277 HydrophobicContact CG-CE 3.98Å
276	G	97.4	Very high	96.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	21.9	-172.3	0	0	0	0	0	113	Y255 L256 M273	Y255-G276 WeakPolarHBondContact CA-O 3.33Å; Y255-G276 WeakPolarHBondContact CD1-O 3.44Å; L256-G276 PolarHBondContact N-O 3.29Å; M273-G276 PolarHBondContact O-N 3.19Å
277	M	98	Very high	96.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	138.5	171	-72.4	-178.3	-88.7	0	0	110.6	F60 S138 F235 L256 I258 F263 L272 F275	F60-M277 HydrophobicContact CZ-CE 4.4Å; S138-M277 WeakPolarHBondContact CB-O 3.27Å; S138-M277 PolarHBondContact OG-O 3.1Å; F235-M277 HydrophobicContact CD2-CE 4.12Å; F235-M277 HydrophobicContact CD2-SD 4.39Å; F235-M277 HydrophobicContact CE2-CE 3.79Å; L256-M277 HydrophobicContact CB-CG 4.02Å; L256-M277 HydrophobicContact CD2-CG 4.29Å; L256-M277 HydrophobicContact CD2-SD 4.35Å; L256-M277 HydrophobicContact CG-CG 4.37Å; L256-M277 CarbonylContact O-C 3.47Å; L256-M277 WeakPolarHBondContact O-CA 3.47Å; I258-M277 HydrophobicContact CD1-CB 4.38Å; I258-M277 HydrophobicContact CD1-SD 3.91Å; I258-M277 HydrophobicContact CG2-SD 4.39Å; F263-M277 HydrophobicContact CZ-CB 4.19Å; L272-M277 HydrophobicContact CB-CB 4.36Å; L272-M277 HydrophobicContact CB-CE 3.97Å; L272-M277 HydrophobicContact CD2-CE 3.36Å; L272-M277 HydrophobicContact CD2-SD 3.86Å; L272-M277 HydrophobicContact CG-CE 4.28Å; L272-M277 WeakPolarHBondContact O-CB 3.27Å; L272-M277 PolarHBondContact O-N 3.3Å; F275-M277 VanDerWaalsContact C-N 3.28Å; F275-M277 HydrophobicContact CB-CE 3.74Å; F275-M277 HydrophobicContact CB-CG 4.48Å; F275-M277 HydrophobicContact CD2-CE 3.75Å; F275-M277 HydrophobicContact CG-CE 3.98Å
278	I	97.6	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	163.2	178.8	57.1	149	0	0	0	111	N134 Y255 L256 A257 I258 F263 L285 L288 V301	N134-I278 WeakPolarHBondContact O-CA 3.49Å; N134-I278 WeakPolarHBondContact O-CB 3.38Å; Y255-I278 HydrophobicContact CD1-CG2 4.16Å; L256-I278 PolarHBondContact O-N 2.73Å; A257-I278 WeakPolarHBondContact CA-O 3.22Å; A257-I278 HydrophobicContact CB-CD1 4.18Å; A257-I278 HydrophobicContact CB-CG1 4.02Å; I258-I278 PolarHBondContact N-O 3.04Å; F263-I278 VanDerWaalsContact CE2-C 3.45Å; F263-I278 WeakPolarHBondContact CE2-O 3.49Å; F263-I278 WeakPolarHBondContact CZ-O 3.47Å; I278-L285 HydrophobicContact CD1-CD2 3.96Å; I278-L288 HydrophobicContact CD1-CD1 3.61Å; I278-L288 HydrophobicContact CG1-CD1 4.35Å; I278-L288 HydrophobicContact CG2-CD1 4.16Å; I278-V301 HydrophobicContact CD1-CG1 4.15Å
279	A	96.3	Very high	96.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	129.6	174.1	0	0	0	0	0	110.5	N134 K260 F263 T281	N134-A279 HydrophobicContact CB-CB 4.42Å; N134-A279 PolarHBondContact O-N 3.12Å; K260-A279 HydrophobicContact CB-CB 4.24Å; K260-A279 HydrophobicContact CG-CB 4.37Å; F263-A279 HydrophobicContact CD2-CB 3.96Å; F263-A279 HydrophobicContact CE2-CB 3.96Å; A279-T281 HydrophobicContact CB-CG2 3.92Å; A279-T281 PolarHBondContact O-N 3.39Å
280	A	94.5	Very high	96.7	Very high	46 Å²	46	31.4 Å²	31.4	38%	0.38	15%	0.153	S	C	.	.			trans	-72.3	57.9	174.1	0	0	0	0	0	111.5	A257 I258	A257-A280 HydrophobicContact CB-CB 3.97Å; I258-A280 WeakPolarHBondContact O-CB 3.39Å; I258-A280 PolarHBondContact O-N 2.91Å
281	T	94.4	Very high	96.5	Very high	31 Å²	31	33.7 Å²	33.7	19%	0.19	16%	0.161	C	C	.	.	S	Bend	trans	-109.6	157.4	175.7	77.9	0	0	0	0	110	N135 K260 A279 K283 G284 L285	N135-T281 PolarHBondContact OD1-OG1 3.32Å; K260-T281 HydrophobicContact CB-CG2 4.19Å; K260-T281 HydrophobicContact CD-CG2 4Å; K260-T281 HydrophobicContact CG-CG2 4.42Å; A279-T281 HydrophobicContact CB-CG2 3.92Å; A279-T281 PolarHBondContact O-N 3.39Å; T281-K283 PolarHBondContact O-N 3.16Å; T281-K283 PolarHBondContact OG1-N 3.15Å; T281-G284 PolarHBondContact O-N 3.25Å; T281-G284 PolarHBondContact OG1-N 2.61Å; T281-L285 WeakPolarHBondContact O-CB 3.27Å; T281-L285 WeakPolarHBondContact O-CG 3.47Å; T281-L285 PolarHBondContact O-N 3.3Å
282	K	94.8	Very high	96.3	Very high	162 Å²	162	36.4 Å²	36.4	70%	0.704	18%	0.179	S	C	*	.	H	α-helix	trans	-53.5	-41.7	173.5	-176.5	-178.2	176.1	-173.3	0	111.8	H286	K282-H286 WeakPolarHBondContact O-CB 3.49Å; K282-H286 PolarHBondContact O-N 3.14Å
283	K	95.4	Very high	96	Very high	112 Å²	112	38.6 Å²	38.6	49%	0.487	19%	0.194	S	C	.	.	H	α-helix	trans	-65	-51	179.4	-174	-177.6	179.3	-176.4	0	111.3	D132 N135 H136 T281 H286 Y287	D132-K283 WeakPolarHBondContact OD2-CE 3.46Å; D132-K283 IonicContact OD2-NZ 3.73Å; D132-K283 PolarHBondContact OD2-NZ 3.27Å; N135-K283 HydrophobicContact CB-CD 4.36Å; N135-K283 HydrophobicContact CB-CG 4.41Å; H136-K283 WeakPolarHBondContact NE2-CE 3.45Å; T281-K283 PolarHBondContact O-N 3.16Å; T281-K283 PolarHBondContact OG1-N 3.15Å; K283-H286 PolarHBondContact O-N 3.23Å; K283-Y287 WeakPolarHBondContact O-CB 3.29Å; K283-Y287 PolarHBondContact O-N 3.29Å
284	G	95.5	Very high	95.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-45.8	-177.6	0	0	0	0	0	113.4	N135 T281 L288	N135-G284 WeakPolarHBondContact O-CA 3.16Å; T281-G284 PolarHBondContact O-N 3.25Å; T281-G284 PolarHBondContact OG1-N 2.61Å; G284-L288 PolarHBondContact O-N 3.06Å
285	L	98.1	Very high	95.2	Very high	16 Å²	16	46 Å²	46	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-67.2	-45.2	176.9	-63	175.1	0	0	0	111.4	A257 I278 T281 Y287 L288 L289 V301 V303 L332	A257-L285 HydrophobicContact CB-CD2 3.74Å; I278-L285 HydrophobicContact CD1-CD2 3.96Å; T281-L285 WeakPolarHBondContact O-CB 3.27Å; T281-L285 WeakPolarHBondContact O-CG 3.47Å; T281-L285 PolarHBondContact O-N 3.3Å; L285-Y287 VanDerWaalsContact C-N 3.33Å; L285-Y287 PolarHBondContact O-N 3.2Å; L285-L288 PolarHBondContact O-N 2.77Å; L285-L289 HydrophobicContact CB-CD1 4.31Å; L285-L289 VanDerWaalsContact O-CB 3.27Å; L285-L289 WeakPolarHBondContact O-CB 3.38Å; L285-L289 WeakPolarHBondContact O-CD1 3.47Å; L285-L289 WeakPolarHBondContact O-CG 3.4Å; L285-L289 PolarHBondContact O-N 3.24Å; L285-V301 HydrophobicContact CD2-CG1 3.64Å; L285-V303 HydrophobicContact CD1-CG2 4.11Å; L285-V303 HydrophobicContact CD2-CG2 3.71Å; L285-L332 HydrophobicContact CB-CD2 3.35Å; L285-L332 HydrophobicContact CD1-CD2 4.14Å; L285-L332 HydrophobicContact CG-CD2 4.39Å
286	H	97.3	Very high	94.8	Very high	61 Å²	61	48.3 Å²	48.3	28%	0.282	24%	0.237	S	C	.	.	H	α-helix	trans	-59.5	-43.4	177.8	-175.8	-74.8	0	0	0	112	K282 K283 L288 L289 D290 L332	K282-H286 WeakPolarHBondContact O-CB 3.49Å; K282-H286 PolarHBondContact O-N 3.14Å; K283-H286 PolarHBondContact O-N 3.23Å; H286-L288 VanDerWaalsContact C-N 3.33Å; H286-L288 PolarHBondContact O-N 3Å; H286-L289 PolarHBondContact O-N 2.68Å; H286-D290 IonicContact CE1-OD2 2.66Å; H286-D290 VanDerWaalsContact O-CB 3.31Å; H286-D290 WeakPolarHBondContact O-CB 3.31Å; H286-D290 PolarHBondContact O-N 2.92Å; H286-L332 HydrophobicContact CB-CD1 3.96Å
287	Y	97.2	Very high	94.6	Very high	67 Å²	67	50.9 Å²	50.9	26%	0.263	25%	0.253	S	S	.	.	H	α-helix	trans	-54.8	-48.1	179.7	174.6	-96.5	0	0	0	112.1	H136 K283 L285 S293 C294	H136-Y287 VanDerWaalsContact CA-CD1 3.49Å; H136-Y287 HydrophobicContact CB-CD1 4.34Å; H136-Y287 HydrophobicContact CB-CE1 4.08Å; H136-Y287 AromaticContact CD2-CD2 3.83Å; H136-Y287 WeakPolarHBondContact O-CE1 3.38Å; K283-Y287 WeakPolarHBondContact O-CB 3.29Å; K283-Y287 PolarHBondContact O-N 3.29Å; L285-Y287 VanDerWaalsContact C-N 3.33Å; L285-Y287 PolarHBondContact O-N 3.2Å; Y287-S293 WeakPolarHBondContact CE2-O 3.26Å; Y287-S293 WeakPolarHBondContact O-CB 3.49Å; Y287-C294 HydrophobicContact CD1-CB 4.11Å; Y287-C294 HydrophobicContact CE1-CB 3.74Å; Y287-C294 HydrophobicContact CE2-CB 4.27Å; Y287-C294 WeakPolarHBondContact O-CB 3.13Å; Y287-C294 PolarHBondContact O-N 2.99Å; Y287-C294 PolarHBondContact O-SG 3.23Å
288	L	97.4	Very high	94.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-76.2	-27.6	-179.8	-74.9	-175.8	0	0	0	114	N219 Y255 I278 G284 L285 H286 N299 V301	N219-L288 PolarHBondContact ND2-O 2.64Å; Y255-L288 HydrophobicContact CD1-CD1 3.77Å; Y255-L288 HydrophobicContact CD2-CD1 3.66Å; Y255-L288 HydrophobicContact CD2-CD2 4.34Å; Y255-L288 HydrophobicContact CE1-CD1 4.27Å; Y255-L288 HydrophobicContact CE1-CD2 4.44Å; Y255-L288 HydrophobicContact CE2-CD1 4.14Å; Y255-L288 HydrophobicContact CE2-CD2 3.99Å; Y255-L288 HydrophobicContact CG-CD1 3.43Å; Y255-L288 VanDerWaalsContact CG-CD1 3.43Å; I278-L288 HydrophobicContact CD1-CD1 3.61Å; I278-L288 HydrophobicContact CG1-CD1 4.35Å; I278-L288 HydrophobicContact CG2-CD1 4.16Å; G284-L288 PolarHBondContact O-N 3.06Å; L285-L288 PolarHBondContact O-N 2.77Å; H286-L288 VanDerWaalsContact C-N 3.33Å; H286-L288 PolarHBondContact O-N 3Å; L288-N299 PolarHBondContact O-ND2 3.26Å; L288-V301 HydrophobicContact CB-CG2 3.86Å; L288-V301 HydrophobicContact CD1-CG2 4.01Å
289	L	97.7	Very high	94.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-88.7	-34.2	-174.9	-69.3	173.6	0	0	0	112.5	N219 L221 L285 H286 K291 V301 L332 T336 S338	N219-L289 HydrophobicContact CB-CD2 4.16Å; N219-L289 PolarHBondContact ND2-O 2.69Å; L221-L289 HydrophobicContact CB-CD1 4.18Å; L221-L289 HydrophobicContact CB-CD2 3.96Å; L221-L289 HydrophobicContact CD1-CD1 3.93Å; L221-L289 HydrophobicContact CD1-CD2 4.49Å; L221-L289 HydrophobicContact CD2-CD1 3.88Å; L221-L289 HydrophobicContact CG-CD1 4.19Å; L285-L289 HydrophobicContact CB-CD1 4.31Å; L285-L289 VanDerWaalsContact O-CB 3.27Å; L285-L289 WeakPolarHBondContact O-CB 3.38Å; L285-L289 WeakPolarHBondContact O-CD1 3.47Å; L285-L289 WeakPolarHBondContact O-CG 3.4Å; L285-L289 PolarHBondContact O-N 3.24Å; H286-L289 PolarHBondContact O-N 2.68Å; L289-K291 PolarHBondContact O-N 2.79Å; L289-V301 HydrophobicContact CD2-CB 4.03Å; L289-V301 HydrophobicContact CD2-CG2 3.81Å; L289-V301 HydrophobicContact CG-CG2 4.34Å; L289-L332 HydrophobicContact CD1-CD2 3.63Å; L289-L332 HydrophobicContact CD1-CG 3.88Å; L289-T336 HydrophobicContact CB-CG2 3.9Å; L289-S338 WeakPolarHBondContact CB-OG 3.39Å; L289-S338 PolarHBondContact O-OG 3.42Å
290	D	95.6	Very high	94.4	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.091	25%	0.252	C	S	.	.			trans	-79	119.2	174.7	174.2	33.2	0	0	0	110.9	H286 N292 S293 C294 T336	H286-D290 IonicContact CE1-OD2 2.66Å; H286-D290 VanDerWaalsContact O-CB 3.31Å; H286-D290 WeakPolarHBondContact O-CB 3.31Å; H286-D290 PolarHBondContact O-N 2.92Å; D290-N292 PolarHBondContact O-N 2.7Å; D290-N292 PolarHBondContact OD1-N 3.11Å; D290-S293 PolarHBondContact O-N 2.85Å; D290-S293 VanDerWaalsContact O-N 3.15Å; D290-S293 WeakPolarHBondContact OD2-CB 3.44Å; D290-S293 PolarHBondContact OD2-N 2.93Å; D290-S293 VanDerWaalsContact OD2-N 3.16Å; D290-S293 PolarHBondContact OD2-OG 2.86Å; D290-C294 PolarHBondContact O-N 2.83Å; D290-C294 PolarHBondContact O-SG 2.92Å; D290-C294 VanDerWaalsContact O-SG 3.41Å; D290-T336 HydrophobicContact CB-CG2 3.97Å
291	K	92.2	Very high	94.6	Very high	72 Å²	72	48.7 Å²	48.7	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-59.3	-34.2	-178.2	-48.2	-176.7	-167.7	-177.3	0	111.7	D217 L289 K295 T297	D217-K291 WeakPolarHBondContact O-CD 3.42Å; D217-K291 WeakPolarHBondContact O-CE 3.48Å; D217-K291 PolarHBondContact O-NZ 3.3Å; L289-K291 PolarHBondContact O-N 2.79Å; K291-K295 VanDerWaalsContact O-CA 3.25Å; K291-K295 WeakPolarHBondContact O-CA 3.43Å; K291-K295 PolarHBondContact O-N 2.87Å; K291-T297 HydrophobicContact CB-CG2 4.15Å; K291-T297 HydrophobicContact CD-CG2 3.83Å; K291-T297 HydrophobicContact CG-CG2 3.88Å
292	N	91.9	Very high	94.8	Very high	126 Å²	126	47.2 Å²	47.2	67%	0.674	23%	0.225	S	C	*	.	H	α-helix	trans	-73.7	-35.3	-179.1	-61.7	-48.6	0	0	0	111.9	D290	D290-N292 PolarHBondContact O-N 2.7Å; D290-N292 PolarHBondContact OD1-N 3.11Å
293	S	91.5	Very high	95	Very high	47 Å²	47	40 Å²	40	33%	0.329	20%	0.195	S	C	.	.	H	α-helix	trans	-69.7	-54.6	-177.9	-69.6	0	0	0	0	112.7	Y287 D290	Y287-S293 WeakPolarHBondContact CE2-O 3.26Å; Y287-S293 WeakPolarHBondContact O-CB 3.49Å; D290-S293 PolarHBondContact O-N 2.85Å; D290-S293 VanDerWaalsContact O-N 3.15Å; D290-S293 WeakPolarHBondContact OD2-CB 3.44Å; D290-S293 PolarHBondContact OD2-N 2.93Å; D290-S293 VanDerWaalsContact OD2-N 3.16Å; D290-S293 PolarHBondContact OD2-OG 2.86Å
294	C	89.5	Confident	95	Very high	13 Å²	13	35.6 Å²	35.6	9%	0.088	18%	0.177	C	C	.	.	H	α-helix	trans	-89.5	-7.8	-178.8	59.6	0	0	0	0	114.2	Y287 D290 Q296 N299	Y287-C294 HydrophobicContact CD1-CB 4.11Å; Y287-C294 HydrophobicContact CE1-CB 3.74Å; Y287-C294 HydrophobicContact CE2-CB 4.27Å; Y287-C294 WeakPolarHBondContact O-CB 3.13Å; Y287-C294 PolarHBondContact O-N 2.99Å; Y287-C294 PolarHBondContact O-SG 3.23Å; D290-C294 PolarHBondContact O-N 2.83Å; D290-C294 PolarHBondContact O-SG 2.92Å; D290-C294 VanDerWaalsContact O-SG 3.41Å; C294-Q296 HydrophobicContact CB-CG 4.06Å; C294-Q296 PolarHBondContact O-N 3.18Å; C294-Q296 VanDerWaalsContact O-N 3.11Å; C294-Q296 PolarHBondContact SG-O 2.81Å; C294-N299 PolarHBondContact SG-ND2 2.75Å
295	K	88.8	Confident	94.9	Very high	192 Å²	192	36 Å²	36	84%	0.835	18%	0.179	S	C	*	.	S	Bend	trans	54.3	26.1	-176.7	-55.5	-176.8	-179.6	-178.5	0	113.6	K291	K291-K295 VanDerWaalsContact O-CA 3.25Å; K291-K295 WeakPolarHBondContact O-CA 3.43Å; K291-K295 PolarHBondContact O-N 2.87Å
296	Q	90.3	Very high	94.3	Very high	51 Å²	51	35.2 Å²	35.2	24%	0.238	18%	0.175	C	C	.	.			trans	-141.6	157.9	176.1	70.7	178.8	16.1	0	0	110.4	Y255 C294 N299	Y255-Q296 PolarHBondContact OH-NE2 2.65Å; C294-Q296 HydrophobicContact CB-CG 4.06Å; C294-Q296 PolarHBondContact O-N 3.18Å; C294-Q296 VanDerWaalsContact O-N 3.11Å; C294-Q296 PolarHBondContact SG-O 2.81Å; Q296-N299 PolarHBondContact NE2-ND2 3.33Å; Q296-N299 PolarHBondContact NE2-OD1 2.91Å
297	T	93.2	Very high	93.8	Very high	54 Å²	54	33 Å²	33	33%	0.331	17%	0.169	S	C	.	.			trans	-126.8	173.6	176.6	57.5	0	0	0	0	109.8	T216 D217 N219 K291 N299	T216-T297 CarbonylContact O-C 3.53Å; T216-T297 WeakPolarHBondContact O-CB 3.45Å; T216-T297 PolarHBondContact O-OG1 3.14Å; D217-T297 WeakPolarHBondContact O-CG2 3.34Å; N219-T297 VanDerWaalsContact OD1-CA 3.27Å; N219-T297 WeakPolarHBondContact OD1-CA 3.43Å; K291-T297 HydrophobicContact CB-CG2 4.15Å; K291-T297 HydrophobicContact CD-CG2 3.83Å; K291-T297 HydrophobicContact CG-CG2 3.88Å; T297-N299 VanDerWaalsContact C-N 3.32Å
298	G	93.4	Very high	93.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.			trans	75.1	19.8	-175.3	0	0	0	0	0	113.8	T216 V218 N219 F252 K253	T216-G298 PolarHBondContact O-N 2.98Å; V218-G298 PolarHBondContact O-N 3.13Å; N219-G298 PolarHBondContact OD1-N 2.98Å; N219-G298 VanDerWaalsContact OD1-N 3.13Å; F252-G298 WeakPolarHBondContact CA-O 3.43Å; F252-G298 WeakPolarHBondContact CD1-O 3.05Å; K253-G298 PolarHBondContact N-O 3.24Å
299	N	96.7	Very high	93	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	128.5	171.2	-62.1	-32.5	0	0	0	109.7	N219 Y220 Y255 L288 C294 Q296 T297 V301	N219-N299 HydrophobicContact CB-CB 4.35Å; N219-N299 WeakPolarHBondContact OD1-CB 2.9Å; N219-N299 PolarHBondContact OD1-N 2.96Å; Y220-N299 PolarHBondContact N-O 3.38Å; Y255-N299 HydrophobicContact CD2-CB 4.35Å; Y255-N299 HydrophobicContact CE2-CB 4.32Å; L288-N299 PolarHBondContact O-ND2 3.26Å; C294-N299 PolarHBondContact SG-ND2 2.75Å; Q296-N299 PolarHBondContact NE2-ND2 3.33Å; Q296-N299 PolarHBondContact NE2-OD1 2.91Å; T297-N299 VanDerWaalsContact C-N 3.32Å; N299-V301 HydrophobicContact CB-CG2 4.09Å
300	F	97.1	Very high	92.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	86.4	177.6	-160.6	-86.7	0	0	0	108.6	Y220 V222 F238 F245 F249 F252 K253 P254 Y255 V302 V397	Y220-F300 HydrophobicContact CG-CD2 4.27Å; V222-F300 HydrophobicContact CB-CE1 4.2Å; V222-F300 HydrophobicContact CG1-CE1 4.33Å; V222-F300 HydrophobicContact CG2-CD1 3.67Å; V222-F300 HydrophobicContact CG2-CD2 4.31Å; V222-F300 HydrophobicContact CG2-CE1 3.22Å; V222-F300 HydrophobicContact CG2-CE2 3.93Å; V222-F300 HydrophobicContact CG2-CG 4.2Å; V222-F300 HydrophobicContact CG2-CZ 3.37Å; F238-F300 HydrophobicContact CD1-CD1 4.49Å; F238-F300 HydrophobicContact CD1-CE1 4.23Å; F238-F300 AromaticContact CE1-CE1 3.89Å; F238-F300 HydrophobicContact CE1-CE1 3.89Å; F245-F300 AromaticContact CE2-CD1 3.88Å; F245-F300 HydrophobicContact CE2-CD1 3.88Å; F245-F300 HydrophobicContact CE2-CE1 4.1Å; F245-F300 HydrophobicContact CE2-CG 4.33Å; F245-F300 HydrophobicContact CZ-CB 4.04Å; F245-F300 AromaticContact CZ-CD1 3.92Å; F245-F300 HydrophobicContact CZ-CD1 3.92Å; F245-F300 AromaticContact CZ-CG 3.94Å; F245-F300 HydrophobicContact CZ-CG 3.94Å; F249-F300 HydrophobicContact CE2-CZ 4.48Å; F249-F300 HydrophobicContact CZ-CE2 4.47Å; F249-F300 HydrophobicContact CZ-CZ 4.4Å; F252-F300 HydrophobicContact CB-CB 4.26Å; F252-F300 HydrophobicContact CD1-CB 4.42Å; F252-F300 HydrophobicContact CD1-CD2 4.25Å; F252-F300 HydrophobicContact CG-CD2 4.48Å; K253-F300 PolarHBondContact O-N 3.19Å; P254-F300 WeakPolarHBondContact CA-O 3.24Å; Y255-F300 PolarHBondContact N-O 3.38Å; F300-V302 HydrophobicContact CD1-CG2 3.87Å; F300-V302 HydrophobicContact CE1-CG2 4.02Å; F300-V397 HydrophobicContact CZ-CG1 4.2Å
301	V	98.5	Very high	92.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	107.9	-169.7	-173.9	0	0	0	0	109.8	Y220 L221 V222 I278 L285 L288 L289 N299	Y220-V301 PolarHBondContact O-N 3Å; L221-V301 HydrophobicContact CD1-CB 4.5Å; L221-V301 HydrophobicContact CD1-CG1 4.48Å; V222-V301 PolarHBondContact N-O 2.79Å; I278-V301 HydrophobicContact CD1-CG1 4.15Å; L285-V301 HydrophobicContact CD2-CG1 3.64Å; L288-V301 HydrophobicContact CB-CG2 3.86Å; L288-V301 HydrophobicContact CD1-CG2 4.01Å; L289-V301 HydrophobicContact CD2-CB 4.03Å; L289-V301 HydrophobicContact CD2-CG2 3.81Å; L289-V301 HydrophobicContact CG-CG2 4.34Å; N299-V301 HydrophobicContact CB-CG2 4.09Å
302	V	98.7	Very high	92.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	120.8	-178.3	-173.1	0	0	0	0	110.2	V222 F224 F238 Y255 L256 A257 F300	V222-V302 HydrophobicContact CB-CB 4.41Å; V222-V302 HydrophobicContact CB-CG1 4.48Å; V222-V302 HydrophobicContact CB-CG2 4.05Å; V222-V302 HydrophobicContact CG1-CG1 4.38Å; V222-V302 HydrophobicContact CG1-CG2 4.36Å; V222-V302 HydrophobicContact CG2-CG2 4.36Å; F224-V302 HydrophobicContact CB-CG1 3.68Å; F224-V302 HydrophobicContact CD2-CG1 4.44Å; F224-V302 HydrophobicContact CG-CG1 4.4Å; F238-V302 HydrophobicContact CB-CG2 4.05Å; F238-V302 HydrophobicContact CD1-CG2 3.81Å; F238-V302 HydrophobicContact CD2-CB 4.36Å; F238-V302 HydrophobicContact CD2-CG1 3.92Å; F238-V302 HydrophobicContact CD2-CG2 3.94Å; F238-V302 HydrophobicContact CE1-CG2 4.24Å; F238-V302 HydrophobicContact CE2-CG1 4.14Å; F238-V302 HydrophobicContact CE2-CG2 4.38Å; F238-V302 HydrophobicContact CG-CB 4.42Å; F238-V302 HydrophobicContact CG-CG1 4.46Å; F238-V302 HydrophobicContact CG-CG2 3.65Å; Y255-V302 PolarHBondContact O-N 3.44Å; L256-V302 HydrophobicContact CD1-CB 4.08Å; L256-V302 HydrophobicContact CD1-CG1 4.03Å; A257-V302 WeakPolarHBondContact CB-O 3.49Å; A257-V302 PolarHBondContact N-O 3.2Å; F300-V302 HydrophobicContact CD1-CG2 3.87Å; F300-V302 HydrophobicContact CE1-CG2 4.02Å
303	V	98.3	Very high	92.6	Very high	12 Å²	12	23.8 Å²	23.8	7%	0.073	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	123.1	174.5	-175.2	0	0	0	0	108.2	L221 V222 F224 A257 L285 L305 F329	L221-V303 HydrophobicContact CD1-CG2 3.64Å; V222-V303 PolarHBondContact O-N 2.87Å; F224-V303 PolarHBondContact N-O 3.43Å; A257-V303 HydrophobicContact CB-CG2 3.96Å; L285-V303 HydrophobicContact CD1-CG2 4.11Å; L285-V303 HydrophobicContact CD2-CG2 3.71Å; V303-L305 VanDerWaalsContact C-N 3.33Å; V303-L305 PolarHBondContact O-N 3.07Å; V303-F329 HydrophobicContact CB-CD2 4.31Å; V303-F329 HydrophobicContact CB-CE2 3.89Å; V303-F329 HydrophobicContact CG1-CD2 4.48Å; V303-F329 HydrophobicContact CG2-CD2 4.34Å; V303-F329 HydrophobicContact CG2-CE2 3.98Å
304	V	95.6	Very high	92.7	Very high	18 Å²	18	21.7 Å²	21.7	11%	0.109	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	92.5	169.4	-168.8	0	0	0	0	108.1	F224 H227 A231 A234 L256 G307	F224-V304 HydrophobicContact CD1-CG1 4.01Å; F224-V304 HydrophobicContact CD1-CG2 4.17Å; H227-V304 VanDerWaalsContact CA-CG1 3.45Å; H227-V304 HydrophobicContact CB-CG1 3.45Å; H227-V304 VanDerWaalsContact CB-CG1 3.45Å; H227-V304 WeakPolarHBondContact CD2-CG1 3.03Å; H227-V304 VanDerWaalsContact CG-CG1 3.49Å; A231-V304 HydrophobicContact CB-CG1 4.43Å; A231-V304 HydrophobicContact CB-CG2 4.16Å; A234-V304 HydrophobicContact CB-CG2 4.21Å; L256-V304 HydrophobicContact CD1-CG2 4.18Å; V304-G307 PolarHBondContact O-N 2.9Å
305	L	93.3	Very high	92.9	Very high	9 Å²	9	24 Å²	24	5%	0.047	13%	0.127	C	C	.	.	S	Bend	trans	-74	-38.4	-154.9	-177.5	57	0	0	0	113	F224 V303 G307 I323 R326 F329 F330	F224-L305 PolarHBondContact O-N 2.96Å; V303-L305 VanDerWaalsContact C-N 3.33Å; V303-L305 PolarHBondContact O-N 3.07Å; L305-G307 VanDerWaalsContact C-N 3.33Å; L305-G307 PolarHBondContact O-N 2.81Å; L305-I323 HydrophobicContact CD2-CG1 4.33Å; L305-R326 HydrophobicContact CD1-CB 3.85Å; L305-R326 HydrophobicContact CD1-CG 3.91Å; L305-R326 HydrophobicContact CG-CB 4.24Å; L305-R326 HydrophobicContact CG-CG 4.07Å; L305-R326 PolarHBondContact O-NE 2.86Å; L305-F329 HydrophobicContact CD1-CB 3.74Å; L305-F329 HydrophobicContact CD1-CD1 4.17Å; L305-F329 HydrophobicContact CD1-CD2 3.67Å; L305-F329 HydrophobicContact CD1-CE2 4.28Å; L305-F329 HydrophobicContact CD1-CG 3.61Å; L305-F329 HydrophobicContact CD2-CD1 3.79Å; L305-F329 HydrophobicContact CD2-CD2 4.49Å; L305-F329 HydrophobicContact CD2-CE1 3.9Å; L305-F329 HydrophobicContact CD2-CG 4.1Å; L305-F329 HydrophobicContact CD2-CZ 4.32Å; L305-F330 HydrophobicContact CD2-CZ 4.46Å
306	G	85.4	Confident	93.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-69.6	-30.3	178.5	0	0	0	0	0	113.4	P309 E310 R326	G306-P309 WeakPolarHBondContact O-CD 3.17Å; G306-E310 WeakPolarHBondContact CA-OE2 3.28Å; G306-R326 PolarHBondContact O-NH2 2.89Å
307	G	87.6	Confident	93.2	Very high	15 Å²	15	15.5 Å²	15.5	16%	0.155	10%	0.098	C	C	.	.	H	α-helix	trans	60.3	-143.7	171.9	0	0	0	0	0	113.9	V304 L305 E310 A311	V304-G307 PolarHBondContact O-N 2.9Å; L305-G307 VanDerWaalsContact C-N 3.33Å; L305-G307 PolarHBondContact O-N 2.81Å; G307-E310 PolarHBondContact O-N 2.92Å; G307-A311 PolarHBondContact O-N 2.99Å; G307-A311 VanDerWaalsContact O-N 3.09Å
308	A	87.9	Confident	93.2	Very high	23 Å²	23	14.3 Å²	14.3	19%	0.19	9%	0.091	C	C	.	.	H	α-helix	trans	-56.6	-46	-175.5	0	0	0	0	0	114.9	E310 A311 L312 T371 A377	A308-E310 VanDerWaalsContact C-N 3.31Å; A308-E310 PolarHBondContact O-N 2.94Å; A308-A311 WeakPolarHBondContact O-CB 3.28Å; A308-A311 PolarHBondContact O-N 3.47Å; A308-L312 PolarHBondContact O-N 3.12Å; A308-T371 HydrophobicContact CB-CG2 3.77Å; A308-A377 HydrophobicContact CB-CB 3.64Å; A308-A377 WeakPolarHBondContact O-CB 3.36Å
309	P	89	Confident	93.3	Very high	42 Å²	42	14.4 Å²	14.4	27%	0.273	9%	0.091	S	C	.	.	H	α-helix	trans	-58.4	-40.4	176.2	-27.2	35.7	0	0	0	113.7	G306 A311 L312 D313 H322	G306-P309 WeakPolarHBondContact O-CD 3.17Å; P309-A311 VanDerWaalsContact C-N 3.35Å; P309-L312 PolarHBondContact O-N 3.4Å; P309-D313 PolarHBondContact O-N 3.44Å; P309-H322 WeakPolarHBondContact CB-ND1 3.41Å
310	E	91.7	Very high	93.2	Very high	3 Å²	3	15.3 Å²	15.3	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-69.1	-33.8	179.1	-174	169.7	-92.9	0	0	112.1	H225 P226 H227 G306 G307 A308 L312 D313 S314 V320 M321 H322	H225-E310 IonicContact ND1-OE1 2.64Å; P226-E310 VanDerWaalsContact CA-OE2 3.3Å; P226-E310 WeakPolarHBondContact CA-OE2 3.23Å; P226-E310 HydrophobicContact CB-CG 3.89Å; H227-E310 HydrophobicContact CB-CB 4.44Å; H227-E310 HydrophobicContact CB-CG 4.36Å; H227-E310 PolarHBondContact N-OE2 3.47Å; G306-E310 WeakPolarHBondContact CA-OE2 3.28Å; G307-E310 PolarHBondContact O-N 2.92Å; A308-E310 VanDerWaalsContact C-N 3.31Å; A308-E310 PolarHBondContact O-N 2.94Å; E310-L312 VanDerWaalsContact C-N 3.28Å; E310-L312 PolarHBondContact O-N 2.94Å; E310-D313 PolarHBondContact O-N 2.92Å; E310-S314 PolarHBondContact O-N 2.81Å; E310-S314 VanDerWaalsContact O-N 3.09Å; E310-V320 WeakPolarHBondContact CG-O 3.41Å; E310-M321 WeakPolarHBondContact OE1-CA 3.31Å; E310-H322 HydrophobicContact CB-CB 4.5Å; E310-H322 PolarHBondContact OE1-N 3.08Å
311	A	92.1	Very high	93	Very high	4 Å²	4	15.3 Å²	15.3	3%	0.033	10%	0.097	C	C	.	.	H	α-helix	trans	-62.4	-34.5	172.8	0	0	0	0	0	112.3	G228 G307 A308 P309 S314 Q354 A377	G228-A311 WeakPolarHBondContact O-CA 3.46Å; G228-A311 WeakPolarHBondContact O-CB 3.42Å; G307-A311 PolarHBondContact O-N 2.99Å; G307-A311 VanDerWaalsContact O-N 3.09Å; A308-A311 WeakPolarHBondContact O-CB 3.28Å; A308-A311 PolarHBondContact O-N 3.47Å; P309-A311 VanDerWaalsContact C-N 3.35Å; A311-S314 WeakPolarHBondContact O-CB 3.18Å; A311-S314 PolarHBondContact O-N 2.92Å; A311-Q354 PolarHBondContact O-NE2 2.93Å; A311-A377 HydrophobicContact CB-CB 4.4Å
312	L	93	Very high	92.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-72.2	-29	176.3	-63.4	178.9	0	0	0	112.8	A308 P309 E310 S314 N357 R364 Q367 A377 P379	A308-L312 PolarHBondContact O-N 3.12Å; P309-L312 PolarHBondContact O-N 3.4Å; E310-L312 VanDerWaalsContact C-N 3.28Å; E310-L312 PolarHBondContact O-N 2.94Å; L312-S314 VanDerWaalsContact C-N 3.34Å; L312-N357 PolarHBondContact O-ND2 3.02Å; L312-R364 VanDerWaalsContact CB-NH1 3.34Å; L312-R364 PolarHBondContact O-NH2 3.13Å; L312-Q367 HydrophobicContact CD1-CB 3.93Å; L312-Q367 HydrophobicContact CD2-CB 4.17Å; L312-Q367 HydrophobicContact CD2-CG 4.3Å; L312-A377 HydrophobicContact CD2-CB 3.94Å; L312-A377 HydrophobicContact CG-CB 3.93Å; L312-P379 HydrophobicContact CD2-CB 4.36Å
313	D	92.7	Very high	92.6	Very high	16 Å²	16	16.7 Å²	16.7	9%	0.086	10%	0.103	C	C	.	.	H	α-helix	trans	-86.1	-5.2	176.7	-70.3	-21.7	0	0	0	113.2	P309 E310 K315 T318 V320 H322 K359 R364	P309-D313 PolarHBondContact O-N 3.44Å; E310-D313 PolarHBondContact O-N 2.92Å; D313-K315 PolarHBondContact O-N 2.85Å; D313-T318 PolarHBondContact O-OG1 3.11Å; D313-V320 HydrophobicContact CB-CB 4.2Å; D313-V320 HydrophobicContact CB-CG1 4.44Å; D313-V320 HydrophobicContact CB-CG2 4.46Å; D313-H322 IonicContact OD2-CD2 3.94Å; D313-H322 IonicContact OD2-CE1 2.76Å; D313-H322 PolarHBondContact OD2-CE1 2.99Å; D313-H322 IonicContact OD2-NE2 3.59Å; D313-H322 PolarHBondContact OD2-NE2 2.84Å; D313-K359 IonicContact OD2-NZ 3.67Å; D313-R364 IonicContact OD1-CZ 3.17Å; D313-R364 IonicContact OD1-NH1 2.73Å; D313-R364 PolarHBondContact OD1-NH1 2.82Å; D313-R364 IonicContact OD1-NH2 3.24Å; D313-R364 PolarHBondContact OD1-NH2 3.48Å
314	S	93.5	Very high	92.2	Very high	4 Å²	4	18.3 Å²	18.3	3%	0.028	11%	0.111	C	C	.	.			trans	-67.5	103.5	-176.5	-175.1	0	0	0	0	113.1	G228 E310 A311 L312 Q349 Q354	G228-S314 WeakPolarHBondContact CA-OG 3.26Å; E310-S314 PolarHBondContact O-N 2.81Å; E310-S314 VanDerWaalsContact O-N 3.09Å; A311-S314 WeakPolarHBondContact O-CB 3.18Å; A311-S314 PolarHBondContact O-N 2.92Å; L312-S314 VanDerWaalsContact C-N 3.34Å; S314-Q349 WeakPolarHBondContact OG-CB 3.29Å; S314-Q354 PolarHBondContact O-NE2 3.13Å
315	K	94	Very high	91.9	Very high	61 Å²	61	25.5 Å²	25.5	27%	0.265	14%	0.144	S	C	.	.			trans	-130.9	152.2	171.9	-61	168.6	-172.8	169.8	0	109.8	D313 G317 T318 Q349 N357	D313-K315 PolarHBondContact O-N 2.85Å; K315-G317 PolarHBondContact O-N 3.43Å; K315-T318 HydrophobicContact CB-CG2 3.88Å; K315-T318 PolarHBondContact N-OG1 3.25Å; K315-T318 PolarHBondContact O-N 3.39Å; K315-T318 PolarHBondContact O-OG1 2.87Å; K315-Q349 WeakPolarHBondContact O-CB 3.25Å; K315-N357 VanDerWaalsContact CE-OD1 3.27Å; K315-N357 WeakPolarHBondContact CE-OD1 3.45Å; K315-N357 PolarHBondContact NZ-OD1 2.8Å
316	P	93.9	Very high	91.9	Very high	54 Å²	54	29.1 Å²	29.1	35%	0.351	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	133.3	175.6	-25.2	31.6	0	0	0	111.7	T318 H353	P316-T318 PolarHBondContact O-N 3.03Å; P316-H353 VanDerWaalsContact CG-CD2 3.42Å; P316-H353 WeakPolarHBondContact CG-CD2 3.12Å
317	G	91.3	Very high	92.3	Very high	10 Å²	10	31.9 Å²	31.9	10%	0.103	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	1.5	-179.1	0	0	0	0	0	116.2	K315 A440 N441	K315-G317 PolarHBondContact O-N 3.43Å; G317-A440 WeakPolarHBondContact O-CA 3.43Å; G317-N441 PolarHBondContact O-N 3.37Å
318	T	92.9	Very high	92.7	Very high	29 Å²	29	33.6 Å²	33.6	18%	0.178	19%	0.187	C	C	.	.			trans	-101.1	131.8	179.1	65.4	0	0	0	0	112.4	D313 K315 P316 Q349	D313-T318 PolarHBondContact O-OG1 3.11Å; K315-T318 HydrophobicContact CB-CG2 3.88Å; K315-T318 PolarHBondContact N-OG1 3.25Å; K315-T318 PolarHBondContact O-N 3.39Å; K315-T318 PolarHBondContact O-OG1 2.87Å; P316-T318 PolarHBondContact O-N 3.03Å; T318-Q349 PolarHBondContact O-NE2 3.1Å
319	Y	95.4	Very high	93.1	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.008	18%	0.181	C	C	.	.			trans	-126.1	71.5	-178.6	-74.1	-97	0	0	0	110.7	P226 M321 I344 F346 Q349 F429 D437 A440 E444	P226-Y319 HydrophobicContact CG-CD1 4.28Å; P226-Y319 HydrophobicContact CG-CE1 4.46Å; Y319-M321 HydrophobicContact CD1-CE 3.79Å; Y319-M321 HydrophobicContact CG-CE 4.47Å; Y319-I344 HydrophobicContact CE1-CG2 4.19Å; Y319-F346 HydrophobicContact CE1-CD1 4.04Å; Y319-F346 HydrophobicContact CE1-CE1 4.35Å; Y319-F346 AromaticContact CZ-CD1 3.78Å; Y319-F346 VanDerWaalsContact OH-CA 3.31Å; Y319-F346 WeakPolarHBondContact OH-CA 3.41Å; Y319-F346 WeakPolarHBondContact OH-CD1 3.43Å; Y319-Q349 VanDerWaalsContact CE1-NE2 3.31Å; Y319-F429 HydrophobicContact CD1-CD2 4.16Å; Y319-F429 AromaticContact CD1-CE2 3.58Å; Y319-F429 HydrophobicContact CD1-CE2 3.58Å; Y319-F429 HydrophobicContact CD1-CZ 4.49Å; Y319-F429 AromaticContact CD2-CE2 3.74Å; Y319-F429 HydrophobicContact CD2-CE2 3.74Å; Y319-F429 AromaticContact CD2-CZ 3.97Å; Y319-F429 HydrophobicContact CD2-CZ 3.97Å; Y319-F429 HydrophobicContact CE1-CD2 4.44Å; Y319-F429 AromaticContact CE1-CE2 3.86Å; Y319-F429 HydrophobicContact CE1-CE2 3.86Å; Y319-F429 HydrophobicContact CE2-CE2 4.04Å; Y319-F429 HydrophobicContact CE2-CZ 4.48Å; Y319-F429 HydrophobicContact CG-CD2 4.41Å; Y319-F429 AromaticContact CG-CE2 3.5Å; Y319-F429 HydrophobicContact CG-CE2 3.5Å; Y319-F429 VanDerWaalsContact CG-CE2 3.5Å; Y319-F429 AromaticContact CG-CZ 3.98Å; Y319-F429 HydrophobicContact CG-CZ 3.98Å; Y319-D437 WeakPolarHBondContact CE2-OD2 3.24Å; Y319-D437 PolarHBondContact OH-OD2 2.94Å; Y319-D437 VanDerWaalsContact OH-OD2 3.11Å; Y319-A440 HydrophobicContact CD2-CB 3.86Å; Y319-A440 HydrophobicContact CE2-CB 3.49Å; Y319-A440 VanDerWaalsContact CE2-CB 3.49Å; Y319-E444 PolarHBondContact O-N 3.25Å
320	V	94.4	Very high	93.6	Very high	20 Å²	20	31.2 Å²	31.2	12%	0.121	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	104.1	178.6	-175.8	0	0	0	0	109.3	E310 D313 E444 V446	E310-V320 WeakPolarHBondContact CG-O 3.41Å; D313-V320 HydrophobicContact CB-CB 4.2Å; D313-V320 HydrophobicContact CB-CG1 4.44Å; D313-V320 HydrophobicContact CB-CG2 4.46Å; V320-E444 HydrophobicContact CG2-CB 4.49Å; V320-V446 HydrophobicContact CG1-CB 4.25Å; V320-V446 HydrophobicContact CG1-CG2 3.58Å
321	M	94.4	Very high	93.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	108.2	-175	-48.6	-50.5	-161.3	0	0	111	H225 P226 E310 Y319 I323 L425 I443 E444 F445 V446	H225-M321 HydrophobicContact CB-CE 3.79Å; H225-M321 HydrophobicContact CB-SD 3.68Å; P226-M321 HydrophobicContact CB-SD 4.25Å; E310-M321 WeakPolarHBondContact OE1-CA 3.31Å; Y319-M321 HydrophobicContact CD1-CE 3.79Å; Y319-M321 HydrophobicContact CG-CE 4.47Å; M321-I323 VanDerWaalsContact C-N 3.29Å; M321-I323 HydrophobicContact CB-CD1 3.8Å; M321-I323 HydrophobicContact CB-CG1 4.01Å; M321-I323 PolarHBondContact O-N 3.33Å; M321-L425 HydrophobicContact CG-CD2 4.47Å; M321-I443 HydrophobicContact CE-CD1 3.68Å; M321-I443 HydrophobicContact CE-CG1 4.03Å; M321-I443 HydrophobicContact CG-CD1 3.69Å; M321-I443 HydrophobicContact CG-CG1 3.63Å; M321-E444 PolarHBondContact N-O 3.02Å; M321-F445 HydrophobicContact CB-CD1 3.88Å; M321-F445 HydrophobicContact CB-CE1 4.2Å; M321-F445 HydrophobicContact CG-CD1 4.33Å; M321-F445 HydrophobicContact CG-CE1 4.25Å; M321-V446 PolarHBondContact O-N 3.4Å
322	H	93.5	Very high	94.1	Very high	29 Å²	29	34.6 Å²	34.6	13%	0.134	18%	0.182	C	C	.	.			trans	-79.7	74	-179.1	-77	-106.3	0	0	0	111.5	P309 E310 D313 R326 V446	P309-H322 WeakPolarHBondContact CB-ND1 3.41Å; E310-H322 HydrophobicContact CB-CB 4.5Å; E310-H322 PolarHBondContact OE1-N 3.08Å; D313-H322 IonicContact OD2-CD2 3.94Å; D313-H322 IonicContact OD2-CE1 2.76Å; D313-H322 PolarHBondContact OD2-CE1 2.99Å; D313-H322 IonicContact OD2-NE2 3.59Å; D313-H322 PolarHBondContact OD2-NE2 2.84Å; H322-R326 WeakPolarHBondContact O-CG 3.17Å; H322-V446 CarbonylContact C-O 3.45Å; H322-V446 WeakPolarHBondContact CA-O 3.47Å
323	I	94.2	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.			trans	-109.4	-30.1	-172.2	-64.4	176.7	0	0	0	112.7	H225 L305 M321 Q325 R326 F330 Y421 K422 L425 F445 V446	H225-I323 VanDerWaalsContact CE1-CD1 3.44Å; H225-I323 WeakPolarHBondContact CE1-CD1 3.43Å; L305-I323 HydrophobicContact CD2-CG1 4.33Å; M321-I323 VanDerWaalsContact C-N 3.29Å; M321-I323 HydrophobicContact CB-CD1 3.8Å; M321-I323 HydrophobicContact CB-CG1 4.01Å; M321-I323 PolarHBondContact O-N 3.33Å; I323-Q325 PolarHBondContact O-N 2.72Å; I323-Q325 VanDerWaalsContact O-N 3.17Å; I323-R326 WeakPolarHBondContact O-CB 3.5Å; I323-R326 PolarHBondContact O-N 3.45Å; I323-F330 HydrophobicContact CG2-CE2 3.86Å; I323-F330 HydrophobicContact CG2-CZ 3.7Å; I323-Y421 HydrophobicContact CD1-CE1 4.07Å; I323-K422 HydrophobicContact CG2-CD 4.47Å; I323-K422 HydrophobicContact CG2-CG 4.21Å; I323-L425 HydrophobicContact CD1-CD2 3.46Å; I323-L425 VanDerWaalsContact CD1-CD2 3.46Å; I323-F445 HydrophobicContact CD1-CD1 3.94Å; I323-F445 HydrophobicContact CD1-CE1 3.93Å; I323-V446 PolarHBondContact N-O 3.46Å
324	N	91.3	Very high	94.7	Very high	46 Å²	46	34.3 Å²	34.3	25%	0.246	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-37.2	-166	-64.4	-33.9	0	0	0	112	K418 K422 F445 V446	N324-K418 PolarHBondContact O-NZ 3.01Å; N324-K422 PolarHBondContact OD1-NZ 2.93Å; N324-F445 PolarHBondContact ND2-O 3.18Å; N324-V446 VanDerWaalsContact CB-OXT 3.24Å; N324-V446 WeakPolarHBondContact CB-OXT 3.46Å; N324-V446 VanDerWaalsContact CG-C 3.48Å; N324-V446 PolarHBondContact N-O 3.01Å; N324-V446 WeakPolarHBondContact ND2-CA 3.29Å; N324-V446 PolarHBondContact ND2-OXT 3.26Å
325	Q	88.4	Confident	94.9	Very high	168 Å²	168	36.9 Å²	36.9	79%	0.785	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-3	177.7	-58.1	-58.8	-25.4	0	0	114	I323 F327	I323-Q325 PolarHBondContact O-N 2.72Å; I323-Q325 VanDerWaalsContact O-N 3.17Å; Q325-F327 PolarHBondContact O-N 2.95Å
326	R	93.2	Very high	95	Very high	85 Å²	85	34 Å²	34	32%	0.321	18%	0.178	S	C	.	.			trans	-87.4	44.3	-175.5	-58.3	-61.9	-172.9	-170.4	1.5	113.4	L305 G306 H322 I323 G328 F329 F330	L305-R326 HydrophobicContact CD1-CB 3.85Å; L305-R326 HydrophobicContact CD1-CG 3.91Å; L305-R326 HydrophobicContact CG-CB 4.24Å; L305-R326 HydrophobicContact CG-CG 4.07Å; L305-R326 PolarHBondContact O-NE 2.86Å; G306-R326 PolarHBondContact O-NH2 2.89Å; H322-R326 WeakPolarHBondContact O-CG 3.17Å; I323-R326 WeakPolarHBondContact O-CB 3.5Å; I323-R326 PolarHBondContact O-N 3.45Å; R326-G328 VanDerWaalsContact C-N 3.3Å; R326-G328 PolarHBondContact O-N 3.29Å; R326-F329 WeakPolarHBondContact O-CB 3.47Å; R326-F329 PolarHBondContact O-N 3.49Å; R326-F330 VanDerWaalsContact O-CD2 3.22Å; R326-F330 WeakPolarHBondContact O-CD2 3.5Å; R326-F330 WeakPolarHBondContact O-CE2 3.43Å
327	F	94	Very high	95.1	Very high	59 Å²	59	31.7 Å²	31.7	26%	0.259	17%	0.165	S	C	.	.	H	α-helix	trans	-58.9	-37.7	-176.2	-170.8	-97.8	0	0	0	113.9	Q325 F329 F330 K331 D411 V414	Q325-F327 PolarHBondContact O-N 2.95Å; F327-F329 VanDerWaalsContact C-N 3.26Å; F327-F329 PolarHBondContact O-N 3.44Å; F327-F330 PolarHBondContact O-N 3.28Å; F327-K331 HydrophobicContact CD1-CB 4.48Å; F327-K331 HydrophobicContact CD1-CD 4.39Å; F327-K331 HydrophobicContact CE1-CB 4.43Å; F327-K331 HydrophobicContact CE1-CD 3.91Å; F327-K331 WeakPolarHBondContact O-CB 3.49Å; F327-K331 PolarHBondContact O-N 3.47Å; F327-D411 HydrophobicContact CZ-CB 4.06Å; F327-D411 VanDerWaalsContact CZ-OD1 3.26Å; F327-D411 WeakPolarHBondContact CZ-OD1 3.4Å; F327-V414 HydrophobicContact CD1-CG1 4.16Å; F327-V414 HydrophobicContact CD2-CB 4.25Å; F327-V414 HydrophobicContact CD2-CG1 3.54Å; F327-V414 HydrophobicContact CE1-CB 4.16Å; F327-V414 HydrophobicContact CE1-CG1 3.9Å; F327-V414 HydrophobicContact CE1-CG2 4.19Å; F327-V414 HydrophobicContact CE2-CB 3.42Å; F327-V414 VanDerWaalsContact CE2-CB 3.42Å; F327-V414 HydrophobicContact CE2-CG1 3.23Å; F327-V414 HydrophobicContact CE2-CG2 4.3Å; F327-V414 HydrophobicContact CG-CG1 4.01Å; F327-V414 HydrophobicContact CZ-CB 3.37Å; F327-V414 HydrophobicContact CZ-CG1 3.42Å; F327-V414 VanDerWaalsContact CZ-CG1 3.42Å; F327-V414 HydrophobicContact CZ-CG2 3.74Å
328	G	95.4	Very high	95.4	Very high	51 Å²	51	31.3 Å²	31.3	53%	0.526	16%	0.161	S	C	.	.	H	α-helix	trans	-62.3	-28.8	-178.9	0	0	0	0	0	114.6	R326 L332	R326-G328 VanDerWaalsContact C-N 3.3Å; R326-G328 PolarHBondContact O-N 3.29Å; G328-L332 VanDerWaalsContact O-CB 3.29Å; G328-L332 WeakPolarHBondContact O-CB 3.42Å; G328-L332 PolarHBondContact O-N 3.25Å
329	F	97.3	Very high	95.6	Very high	15 Å²	15	31.7 Å²	31.7	7%	0.066	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-49.7	178.2	175.9	-96.6	0	0	0	111.2	L221 V303 L305 R326 F327 L332 A333 L340 Y421	L221-F329 HydrophobicContact CD1-CD2 4.17Å; L221-F329 HydrophobicContact CD1-CE2 3.5Å; L221-F329 HydrophobicContact CD1-CZ 4.17Å; L221-F329 HydrophobicContact CD2-CD2 3.79Å; L221-F329 HydrophobicContact CD2-CE1 4.45Å; L221-F329 HydrophobicContact CD2-CE2 3.63Å; L221-F329 HydrophobicContact CD2-CG 4.27Å; L221-F329 HydrophobicContact CD2-CZ 3.98Å; L221-F329 HydrophobicContact CG-CD2 4.06Å; L221-F329 HydrophobicContact CG-CE1 4.45Å; L221-F329 HydrophobicContact CG-CE2 3.37Å; L221-F329 HydrophobicContact CG-CZ 3.6Å; V303-F329 HydrophobicContact CB-CD2 4.31Å; V303-F329 HydrophobicContact CB-CE2 3.89Å; V303-F329 HydrophobicContact CG1-CD2 4.48Å; V303-F329 HydrophobicContact CG2-CD2 4.34Å; V303-F329 HydrophobicContact CG2-CE2 3.98Å; L305-F329 HydrophobicContact CD1-CB 3.74Å; L305-F329 HydrophobicContact CD1-CD1 4.17Å; L305-F329 HydrophobicContact CD1-CD2 3.67Å; L305-F329 HydrophobicContact CD1-CE2 4.28Å; L305-F329 HydrophobicContact CD1-CG 3.61Å; L305-F329 HydrophobicContact CD2-CD1 3.79Å; L305-F329 HydrophobicContact CD2-CD2 4.49Å; L305-F329 HydrophobicContact CD2-CE1 3.9Å; L305-F329 HydrophobicContact CD2-CG 4.1Å; L305-F329 HydrophobicContact CD2-CZ 4.32Å; R326-F329 WeakPolarHBondContact O-CB 3.47Å; R326-F329 PolarHBondContact O-N 3.49Å; F327-F329 VanDerWaalsContact C-N 3.26Å; F327-F329 PolarHBondContact O-N 3.44Å; F329-L332 WeakPolarHBondContact O-CB 3.3Å; F329-L332 PolarHBondContact O-N 3.46Å; F329-A333 PolarHBondContact O-N 3.36Å; F329-L340 HydrophobicContact CD1-CD2 4.12Å; F329-L340 HydrophobicContact CE1-CD2 3.48Å; F329-L340 VanDerWaalsContact CE1-CD2 3.48Å; F329-L340 HydrophobicContact CZ-CD2 3.95Å; F329-Y421 HydrophobicContact CE1-CE2 4.44Å
330	F	98.2	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-67.6	-41.8	177.7	-57.9	-71.6	0	0	0	112.2	L305 I323 R326 F327 L332 A333 L334 L340 V414 I417 K418 Y421	L305-F330 HydrophobicContact CD2-CZ 4.46Å; I323-F330 HydrophobicContact CG2-CE2 3.86Å; I323-F330 HydrophobicContact CG2-CZ 3.7Å; R326-F330 VanDerWaalsContact O-CD2 3.22Å; R326-F330 WeakPolarHBondContact O-CD2 3.5Å; R326-F330 WeakPolarHBondContact O-CE2 3.43Å; F327-F330 PolarHBondContact O-N 3.28Å; F330-L332 PolarHBondContact O-N 2.91Å; F330-A333 PolarHBondContact O-N 2.9Å; F330-L334 PolarHBondContact O-N 3.12Å; F330-L340 HydrophobicContact CD1-CD1 3.87Å; F330-L340 HydrophobicContact CE1-CD1 4.45Å; F330-V414 HydrophobicContact CB-CG1 3.71Å; F330-I417 HydrophobicContact CB-CG2 4.01Å; F330-K418 HydrophobicContact CD1-CB 4.08Å; F330-K418 HydrophobicContact CD2-CB 3.8Å; F330-K418 HydrophobicContact CD2-CD 3.78Å; F330-K418 HydrophobicContact CD2-CG 3.74Å; F330-K418 HydrophobicContact CE1-CB 4.29Å; F330-K418 HydrophobicContact CE1-CG 4.3Å; F330-K418 HydrophobicContact CE2-CB 4.02Å; F330-K418 HydrophobicContact CE2-CD 3.64Å; F330-K418 HydrophobicContact CE2-CG 3.49Å; F330-K418 VanDerWaalsContact CE2-CG 3.49Å; F330-K418 HydrophobicContact CG-CB 3.84Å; F330-K418 HydrophobicContact CG-CG 4.26Å; F330-K418 HydrophobicContact CZ-CB 4.26Å; F330-K418 HydrophobicContact CZ-CD 4.42Å; F330-K418 HydrophobicContact CZ-CG 3.79Å; F330-Y421 AromaticContact CE1-CD1 3.73Å; F330-Y421 HydrophobicContact CE1-CD1 3.73Å; F330-Y421 HydrophobicContact CE1-CD2 4.09Å; F330-Y421 HydrophobicContact CE1-CE1 4.43Å; F330-Y421 AromaticContact CE1-CG 3.55Å; F330-Y421 HydrophobicContact CE1-CG 3.55Å; F330-Y421 AromaticContact CZ-CD1 3.88Å; F330-Y421 HydrophobicContact CZ-CD1 3.88Å; F330-Y421 HydrophobicContact CZ-CE1 4.41Å; F330-Y421 HydrophobicContact CZ-CG 4.19Å
331	K	98.2	Very high	95.9	Very high	65 Å²	65	30.6 Å²	30.6	28%	0.283	15%	0.153	S	C	.	.	H	α-helix	trans	-59.2	-36.1	174.7	-174.4	162.8	-166.9	155	0	112.1	F327 K335 P409 V414	F327-K331 HydrophobicContact CD1-CB 4.48Å; F327-K331 HydrophobicContact CD1-CD 4.39Å; F327-K331 HydrophobicContact CE1-CB 4.43Å; F327-K331 HydrophobicContact CE1-CD 3.91Å; F327-K331 WeakPolarHBondContact O-CB 3.49Å; F327-K331 PolarHBondContact O-N 3.47Å; K331-K335 HydrophobicContact CG-CD 4.4Å; K331-K335 WeakPolarHBondContact O-CG 3.4Å; K331-K335 PolarHBondContact O-N 2.84Å; K331-K335 VanDerWaalsContact O-N 3.1Å; K331-P409 HydrophobicContact CG-CG 3.9Å; K331-V414 HydrophobicContact CB-CG1 4.18Å; K331-V414 HydrophobicContact CB-CG2 4.01Å; K331-V414 HydrophobicContact CG-CG2 4.21Å
332	L	97.8	Very high	96.1	Very high	12 Å²	12	30.7 Å²	30.7	6%	0.063	15%	0.154	C	C	.	.	H	α-helix	trans	-68.1	-45.1	178.8	-174.4	61.4	0	0	0	111.6	L285 H286 L289 G328 F329 F330 L334 K335 T336	L285-L332 HydrophobicContact CB-CD2 3.35Å; L285-L332 HydrophobicContact CD1-CD2 4.14Å; L285-L332 HydrophobicContact CG-CD2 4.39Å; H286-L332 HydrophobicContact CB-CD1 3.96Å; L289-L332 HydrophobicContact CD1-CD2 3.63Å; L289-L332 HydrophobicContact CD1-CG 3.88Å; G328-L332 VanDerWaalsContact O-CB 3.29Å; G328-L332 WeakPolarHBondContact O-CB 3.42Å; G328-L332 PolarHBondContact O-N 3.25Å; F329-L332 WeakPolarHBondContact O-CB 3.3Å; F329-L332 PolarHBondContact O-N 3.46Å; F330-L332 PolarHBondContact O-N 2.91Å; L332-L334 VanDerWaalsContact C-N 3.34Å; L332-L334 PolarHBondContact O-N 3.38Å; L332-K335 PolarHBondContact O-N 3.17Å; L332-K335 VanDerWaalsContact O-N 3.12Å; L332-T336 HydrophobicContact CD1-CG2 4.04Å; L332-T336 PolarHBondContact O-N 2.65Å; L332-T336 PolarHBondContact O-OG1 3.23Å
333	A	98.2	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-56.8	-45	177.1	0	0	0	0	0	112.9	L221 F329 F330 T336 G337 S338 L340	L221-A333 HydrophobicContact CD2-CB 4.2Å; F329-A333 PolarHBondContact O-N 3.36Å; F330-A333 PolarHBondContact O-N 2.9Å; A333-T336 PolarHBondContact O-N 3.03Å; A333-G337 WeakPolarHBondContact O-CA 3.27Å; A333-G337 PolarHBondContact O-N 2.87Å; A333-S338 PolarHBondContact O-N 2.99Å; A333-L340 HydrophobicContact CB-CD1 4.02Å; A333-L340 HydrophobicContact CB-CD2 3.51Å; A333-L340 HydrophobicContact CB-CG 3.56Å
334	L	98.3	Very high	96.5	Very high	11 Å²	11	29.3 Å²	29.3	6%	0.058	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-41.9	174.9	-68	175.5	0	0	0	111.9	F330 L332 T336 G337 C403 Q405 I406 P409 Q413 V414 I417	F330-L334 PolarHBondContact O-N 3.12Å; L332-L334 VanDerWaalsContact C-N 3.34Å; L332-L334 PolarHBondContact O-N 3.38Å; L334-T336 VanDerWaalsContact C-N 3.3Å; L334-T336 PolarHBondContact O-N 2.76Å; L334-G337 PolarHBondContact O-N 3.37Å; L334-C403 HydrophobicContact CD2-CB 4.14Å; L334-Q405 CarbonylContact O-C 3.54Å; L334-Q405 VanDerWaalsContact O-CA 3.29Å; L334-Q405 WeakPolarHBondContact O-CA 3.32Å; L334-I406 PolarHBondContact O-N 3.01Å; L334-P409 HydrophobicContact CB-CB 4.04Å; L334-P409 HydrophobicContact CB-CG 4.14Å; L334-P409 HydrophobicContact CD1-CB 3.82Å; L334-P409 HydrophobicContact CD1-CG 4.49Å; L334-Q413 HydrophobicContact CD1-CB 4.36Å; L334-V414 HydrophobicContact CD1-CG2 3.97Å; L334-I417 HydrophobicContact CD1-CG2 3.89Å; L334-I417 HydrophobicContact CG-CG2 4.19Å
335	K	97.7	Very high	96.8	Very high	57 Å²	57	27.1 Å²	27.1	25%	0.248	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-33.2	179.4	-80.3	-177.9	173.3	-90.9	0	114	K331 L332 Q405 I406 N407 P409	K331-K335 HydrophobicContact CG-CD 4.4Å; K331-K335 WeakPolarHBondContact O-CG 3.4Å; K331-K335 PolarHBondContact O-N 2.84Å; K331-K335 VanDerWaalsContact O-N 3.1Å; L332-K335 PolarHBondContact O-N 3.17Å; L332-K335 VanDerWaalsContact O-N 3.12Å; K335-Q405 WeakPolarHBondContact O-CG 3.4Å; K335-Q405 PolarHBondContact O-NE2 3.18Å; K335-Q405 VanDerWaalsContact O-NE2 3.12Å; K335-I406 WeakPolarHBondContact CA-O 3.41Å; K335-N407 PolarHBondContact NZ-O 3.34Å; K335-P409 HydrophobicContact CG-CG 4.1Å
336	T	96.8	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-100.7	-4.2	-176.5	59.1	0	0	0	0	113.4	L289 D290 L332 A333 L334 S338	L289-T336 HydrophobicContact CB-CG2 3.9Å; D290-T336 HydrophobicContact CB-CG2 3.97Å; L332-T336 HydrophobicContact CD1-CG2 4.04Å; L332-T336 PolarHBondContact O-N 2.65Å; L332-T336 PolarHBondContact O-OG1 3.23Å; A333-T336 PolarHBondContact O-N 3.03Å; L334-T336 VanDerWaalsContact C-N 3.3Å; L334-T336 PolarHBondContact O-N 2.76Å; T336-S338 WeakPolarHBondContact CB-OG 3.36Å; T336-S338 PolarHBondContact O-N 3.05Å; T336-S338 WeakPolarHBondContact OG1-CB 3.47Å; T336-S338 PolarHBondContact OG1-OG 3.3Å
337	G	96.1	Very high	97.3	Very high	7 Å²	7	15.4 Å²	15.4	7%	0.072	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	29	-172.4	0	0	0	0	0	112.7	A333 L334 C403	A333-G337 WeakPolarHBondContact O-CA 3.27Å; A333-G337 PolarHBondContact O-N 2.87Å; L334-G337 PolarHBondContact O-N 3.37Å; G337-C403 CarbonylContact C-O 3.48Å; G337-C403 WeakPolarHBondContact CA-O 3.44Å
338	S	97.2	Very high	97.3	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.007	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-87.6	139.3	-177.8	-59.2	0	0	0	0	110.9	N219 L289 A333 T336 L340 C403	N219-S338 CarbonylContact O-C 3.55Å; N219-S338 WeakPolarHBondContact O-CA 3.43Å; N219-S338 VanDerWaalsContact O-CB 3.27Å; N219-S338 WeakPolarHBondContact O-CB 3.37Å; L289-S338 WeakPolarHBondContact CB-OG 3.39Å; L289-S338 PolarHBondContact O-OG 3.42Å; A333-S338 PolarHBondContact O-N 2.99Å; T336-S338 WeakPolarHBondContact CB-OG 3.36Å; T336-S338 PolarHBondContact O-N 3.05Å; T336-S338 WeakPolarHBondContact OG1-CB 3.47Å; T336-S338 PolarHBondContact OG1-OG 3.3Å; S338-L340 PolarHBondContact O-N 2.8Å; S338-C403 VanDerWaalsContact O-CB 3.3Å; S338-C403 WeakPolarHBondContact O-CB 3.37Å
339	Y	97.5	Very high	97.2	Very high	37 Å²	37	10.2 Å²	10.2	15%	0.145	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.6	-178.4	-68.4	2.1	0	0	0	110	V218 N219 Y220 L221 P400 I401 Q402	V218-Y339 HydrophobicContact CG1-CE1 4.23Å; V218-Y339 HydrophobicContact CG2-CD1 4.41Å; V218-Y339 HydrophobicContact CG2-CD2 3.89Å; V218-Y339 HydrophobicContact CG2-CE1 4.37Å; V218-Y339 HydrophobicContact CG2-CE2 3.82Å; V218-Y339 HydrophobicContact CG2-CG 4.2Å; N219-Y339 PolarHBondContact O-N 2.62Å; Y220-Y339 CarbonylContact C-O 3.6Å; Y220-Y339 WeakPolarHBondContact CA-O 3.27Å; Y220-Y339 AromaticContact CE1-CD2 3.81Å; Y220-Y339 HydrophobicContact CE1-CD2 3.81Å; Y220-Y339 HydrophobicContact CE1-CG 4.31Å; L221-Y339 PolarHBondContact N-O 3.32Å; Y339-P400 HydrophobicContact CD2-CB 4.16Å; Y339-I401 WeakPolarHBondContact CA-O 3.35Å; Y339-Q402 HydrophobicContact CD1-CB 4.29Å; Y339-Q402 HydrophobicContact CD1-CG 4.49Å; Y339-Q402 HydrophobicContact CD2-CG 4.24Å; Y339-Q402 HydrophobicContact CE1-CB 3.93Å; Y339-Q402 HydrophobicContact CE1-CG 4.05Å; Y339-Q402 HydrophobicContact CE2-CG 3.78Å
340	L	98.6	Very high	97.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.6	177.2	-74.1	170.2	0	0	0	109.7	L221 F329 F330 A333 S338 P400 I401 I417 Y421	L221-L340 HydrophobicContact CB-CD2 4.25Å; L221-L340 HydrophobicContact CD2-CD2 4.09Å; L221-L340 HydrophobicContact CG-CD2 4.2Å; L221-L340 CarbonylContact O-C 2.95Å; L221-L340 WeakPolarHBondContact O-CA 3.26Å; F329-L340 HydrophobicContact CD1-CD2 4.12Å; F329-L340 HydrophobicContact CE1-CD2 3.48Å; F329-L340 VanDerWaalsContact CE1-CD2 3.48Å; F329-L340 HydrophobicContact CZ-CD2 3.95Å; F330-L340 HydrophobicContact CD1-CD1 3.87Å; F330-L340 HydrophobicContact CE1-CD1 4.45Å; A333-L340 HydrophobicContact CB-CD1 4.02Å; A333-L340 HydrophobicContact CB-CD2 3.51Å; A333-L340 HydrophobicContact CB-CG 3.56Å; S338-L340 PolarHBondContact O-N 2.8Å; L340-P400 CarbonylContact O-C 3.56Å; L340-P400 WeakPolarHBondContact O-CA 3.24Å; L340-I401 HydrophobicContact CB-CB 4.19Å; L340-I401 PolarHBondContact N-O 3.49Å; L340-I401 PolarHBondContact O-N 2.94Å; L340-I417 HydrophobicContact CD1-CG1 3.7Å; L340-Y421 HydrophobicContact CB-CD2 4.2Å
341	V	98.3	Very high	97	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	114.5	179.3	-176.5	0	0	0	0	109.3	Y220 L221 V222 G223 V397 G398 P400	Y220-V341 HydrophobicContact CD1-CG2 3.76Å; Y220-V341 HydrophobicContact CG-CG2 4.47Å; L221-V341 PolarHBondContact O-N 2.97Å; V222-V341 CarbonylContact C-O 3.44Å; V222-V341 WeakPolarHBondContact CA-O 3.33Å; V222-V341 HydrophobicContact CB-CB 4.14Å; V222-V341 HydrophobicContact CG1-CB 4.17Å; V222-V341 HydrophobicContact CG1-CG1 4.23Å; V222-V341 HydrophobicContact CG2-CB 3.66Å; V222-V341 HydrophobicContact CG2-CG1 4.16Å; V222-V341 HydrophobicContact CG2-CG2 4.05Å; G223-V341 PolarHBondContact N-O 2.76Å; V341-V397 HydrophobicContact CG1-CG1 3.61Å; V341-G398 WeakPolarHBondContact CG1-O 3.22Å; V341-P400 HydrophobicContact CG2-CB 4.29Å; V341-P400 HydrophobicContact CG2-CG 4.47Å
342	P	98.5	Very high	96.9	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.013	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.9	171.2	27.5	-28.2	0	0	0	109.8	G398 A399 Y421 K424 L425 L428	P342-G398 WeakPolarHBondContact O-CA 3.49Å; P342-G398 PolarHBondContact O-N 2.73Å; P342-A399 WeakPolarHBondContact CD-O 3.45Å; P342-Y421 HydrophobicContact CB-CE2 3.99Å; P342-K424 HydrophobicContact CG-CB 4.25Å; P342-L425 HydrophobicContact CB-CB 4.33Å; P342-L425 HydrophobicContact CB-CD1 3.68Å; P342-L428 HydrophobicContact CB-CD2 4.35Å
343	C	98.3	Very high	96.7	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	126.6	178.7	-177.7	0	0	0	0	110.5	V222 G223 H225 T395 V396	V222-C343 HydrophobicContact CG1-CB 3.57Å; G223-C343 WeakPolarHBondContact O-CB 3.17Å; G223-C343 PolarHBondContact O-N 3.27Å; H225-C343 PolarHBondContact N-O 3.45Å; C343-T395 WeakPolarHBondContact SG-CG2 3.39Å; C343-V396 VanDerWaalsContact CA-O 3.3Å; C343-V396 WeakPolarHBondContact CA-O 3.3Å; C343-V396 PolarHBondContact SG-O 3.34Å; C343-V396 VanDerWaalsContact SG-O 3.38Å
344	I	97.9	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.7	-179.7	-60.4	176.7	0	0	0	110	H225 Y319 F346 T395 V396 L425 L428 F429	H225-I344 CarbonylContact O-C 3.55Å; H225-I344 VanDerWaalsContact O-CA 3.23Å; H225-I344 WeakPolarHBondContact O-CA 3.38Å; Y319-I344 HydrophobicContact CE1-CG2 4.19Å; I344-F346 HydrophobicContact CB-CD2 4.46Å; I344-F346 HydrophobicContact CB-CE2 3.95Å; I344-F346 HydrophobicContact CB-CZ 4.39Å; I344-F346 HydrophobicContact CG2-CD1 4.45Å; I344-F346 HydrophobicContact CG2-CD2 3.8Å; I344-F346 HydrophobicContact CG2-CE1 4.16Å; I344-F346 HydrophobicContact CG2-CE2 3.49Å; I344-F346 VanDerWaalsContact CG2-CE2 3.49Å; I344-F346 HydrophobicContact CG2-CG 4.27Å; I344-F346 HydrophobicContact CG2-CZ 3.69Å; I344-T395 CarbonylContact O-C 3.54Å; I344-T395 WeakPolarHBondContact O-CA 3.39Å; I344-V396 PolarHBondContact N-O 3.21Å; I344-V396 PolarHBondContact O-N 2.9Å; I344-L425 HydrophobicContact CD1-CD1 3.7Å; I344-L425 HydrophobicContact CD1-CG 4.1Å; I344-L425 WeakPolarHBondContact CD1-O 3.45Å; I344-L425 HydrophobicContact CG1-CD1 3.46Å; I344-L425 VanDerWaalsContact CG1-CD1 3.46Å; I344-L425 HydrophobicContact CG1-CG 4.31Å; I344-L428 HydrophobicContact CD1-CB 4.26Å; I344-L428 HydrophobicContact CD1-CD2 4.24Å; I344-L428 HydrophobicContact CD1-CG 4.3Å; I344-L428 HydrophobicContact CG1-CD2 4.13Å; I344-F429 HydrophobicContact CD1-CB 3.66Å; I344-F429 HydrophobicContact CD1-CD2 4.28Å; I344-F429 HydrophobicContact CD1-CG 4.48Å
345	S	96.8	Very high	96.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	95.8	175.2	-155.1	0	0	0	0	110.2	F224 H225 V393 Y394 T395	F224-S345 WeakPolarHBondContact CZ-OG 3.27Å; H225-S345 PolarHBondContact O-N 3.33Å; S345-V393 VanDerWaalsContact OG-CG1 3.29Å; S345-V393 WeakPolarHBondContact OG-CG1 3.41Å; S345-Y394 CarbonylContact C-O 3.56Å; S345-Y394 WeakPolarHBondContact CA-O 3.47Å; S345-T395 PolarHBondContact OG-OG1 3.41Å
346	F	96.5	Very high	96	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	137.3	177.1	-64.5	-94.2	0	0	0	110.7	Y319 I344 V393 Y394 V396 F429 K433 Y436 D437	Y319-F346 HydrophobicContact CE1-CD1 4.04Å; Y319-F346 HydrophobicContact CE1-CE1 4.35Å; Y319-F346 AromaticContact CZ-CD1 3.78Å; Y319-F346 VanDerWaalsContact OH-CA 3.31Å; Y319-F346 WeakPolarHBondContact OH-CA 3.41Å; Y319-F346 WeakPolarHBondContact OH-CD1 3.43Å; I344-F346 HydrophobicContact CB-CD2 4.46Å; I344-F346 HydrophobicContact CB-CE2 3.95Å; I344-F346 HydrophobicContact CB-CZ 4.39Å; I344-F346 HydrophobicContact CG2-CD1 4.45Å; I344-F346 HydrophobicContact CG2-CD2 3.8Å; I344-F346 HydrophobicContact CG2-CE1 4.16Å; I344-F346 HydrophobicContact CG2-CE2 3.49Å; I344-F346 VanDerWaalsContact CG2-CE2 3.49Å; I344-F346 HydrophobicContact CG2-CG 4.27Å; I344-F346 HydrophobicContact CG2-CZ 3.69Å; F346-V393 CarbonylContact O-C 3.05Å; F346-V393 VanDerWaalsContact O-CA 3.23Å; F346-V393 WeakPolarHBondContact O-CA 3.27Å; F346-Y394 PolarHBondContact N-O 2.8Å; F346-Y394 PolarHBondContact O-N 2.84Å; F346-V396 HydrophobicContact CD2-CG2 3.93Å; F346-V396 HydrophobicContact CE2-CB 4.48Å; F346-V396 HydrophobicContact CE2-CG2 3.84Å; F346-F429 AromaticContact CE1-CD2 3.65Å; F346-F429 HydrophobicContact CE1-CD2 3.65Å; F346-F429 AromaticContact CE1-CE2 3.74Å; F346-F429 HydrophobicContact CE1-CE2 3.74Å; F346-F429 AromaticContact CZ-CD2 3.92Å; F346-F429 HydrophobicContact CZ-CD2 3.92Å; F346-F429 HydrophobicContact CZ-CE2 4.47Å; F346-K433 HydrophobicContact CE1-CB 4.11Å; F346-Y436 HydrophobicContact CD2-CD2 4.22Å; F346-D437 HydrophobicContact CD1-CB 4.01Å
347	G	95	Very high	95.7	Very high	6 Å²	6	14.6 Å²	14.6	6%	0.062	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	-6.9	178.1	0	0	0	0	0	116	Q349 S350	G347-Q349 PolarHBondContact O-N 3.12Å; G347-S350 WeakPolarHBondContact O-CB 3.33Å; G347-S350 PolarHBondContact O-N 3.45Å
348	E	95	Very high	95.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-54.5	-40.7	177.1	-104	-58.5	137.4	0	0	112.7	F224 T232 G233 S350 L351 V393	F224-E348 HydrophobicContact CZ-CG 4.49Å; T232-E348 WeakPolarHBondContact CA-OE1 3.36Å; T232-E348 VanDerWaalsContact CB-OE1 3.3Å; T232-E348 WeakPolarHBondContact CB-OE1 3.45Å; T232-E348 PolarHBondContact N-OE1 3.23Å; T232-E348 PolarHBondContact N-OE2 2.9Å; G233-E348 PolarHBondContact N-OE1 3.31Å; E348-S350 PolarHBondContact O-N 2.95Å; E348-L351 WeakPolarHBondContact O-CG 3.35Å; E348-L351 PolarHBondContact O-N 3.27Å; E348-V393 HydrophobicContact CG-CG1 4.31Å
349	Q	93.8	Very high	95	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.009	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-75.6	-13.9	-177.8	-43.4	91.1	-58.1	0	0	112.5	P226 S314 K315 T318 Y319 G347 Y352	P226-Q349 HydrophobicContact CG-CG 3.84Å; S314-Q349 WeakPolarHBondContact OG-CB 3.29Å; K315-Q349 WeakPolarHBondContact O-CB 3.25Å; T318-Q349 PolarHBondContact O-NE2 3.1Å; Y319-Q349 VanDerWaalsContact CE1-NE2 3.31Å; G347-Q349 PolarHBondContact O-N 3.12Å; Q349-Y352 VanDerWaalsContact O-O 3.1Å
350	S	95.1	Very high	94.6	Very high	22 Å²	22	29 Å²	29	15%	0.154	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-90.2	-3.5	-179.8	-62.6	0	0	0	0	112.8	G347 E348 Y352	G347-S350 WeakPolarHBondContact O-CB 3.33Å; G347-S350 PolarHBondContact O-N 3.45Å; E348-S350 PolarHBondContact O-N 2.95Å; S350-Y352 VanDerWaalsContact C-N 3.31Å
351	L	95.5	Very high	94.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-73.7	-24.7	178.6	-57.5	-169.1	0	0	0	112.7	F157 T232 E348 Y389 K391 V393	F157-L351 HydrophobicContact CD1-CD1 4.05Å; F157-L351 HydrophobicContact CD1-CD2 3.39Å; F157-L351 HydrophobicContact CD1-CG 4.25Å; F157-L351 HydrophobicContact CE1-CB 4.3Å; F157-L351 HydrophobicContact CE1-CD1 3.97Å; F157-L351 HydrophobicContact CE1-CD2 3.69Å; F157-L351 HydrophobicContact CE1-CG 4.19Å; F157-L351 HydrophobicContact CG-CD1 4.47Å; F157-L351 HydrophobicContact CG-CD2 4.3Å; F157-L351 HydrophobicContact CZ-CD1 4.37Å; T232-L351 HydrophobicContact CG2-CD1 4.46Å; E348-L351 WeakPolarHBondContact O-CG 3.35Å; E348-L351 PolarHBondContact O-N 3.27Å; L351-Y389 PolarHBondContact O-N 3.42Å; L351-K391 HydrophobicContact CD2-CB 4.14Å; L351-V393 HydrophobicContact CD1-CG2 4.17Å; L351-V393 HydrophobicContact CD2-CG2 3.84Å; L351-V393 HydrophobicContact CG-CG2 4.28Å
352	Y	95.2	Very high	94.1	Very high	6 Å²	6	39.3 Å²	39.3	2%	0.024	22%	0.216	C	C	.	.			trans	-143.2	156.9	-178.4	-55.2	-87.1	0	0	0	110.6	V57 I229 Q349 S350 F381 A383 P388	V57-Y352 WeakPolarHBondContact CG2-OH 3.3Å; I229-Y352 HydrophobicContact CB-CD2 3.72Å; I229-Y352 HydrophobicContact CB-CE2 4.11Å; I229-Y352 HydrophobicContact CB-CG 4.36Å; I229-Y352 HydrophobicContact CG1-CD2 3.65Å; I229-Y352 HydrophobicContact CG1-CG 3.97Å; I229-Y352 HydrophobicContact CG2-CD2 4.4Å; Q349-Y352 VanDerWaalsContact O-O 3.1Å; S350-Y352 VanDerWaalsContact C-N 3.31Å; Y352-F381 AromaticContact CD1-CD2 3.43Å; Y352-F381 HydrophobicContact CD1-CD2 3.43Å; Y352-F381 VanDerWaalsContact CD1-CD2 3.43Å; Y352-F381 AromaticContact CD1-CE2 3.78Å; Y352-F381 HydrophobicContact CD1-CE2 3.78Å; Y352-F381 HydrophobicContact CD1-CG 4.46Å; Y352-F381 AromaticContact CE1-CD2 3.91Å; Y352-F381 HydrophobicContact CE1-CD2 3.91Å; Y352-F381 AromaticContact CE1-CE2 3.74Å; Y352-F381 HydrophobicContact CE1-CE2 3.74Å; Y352-F381 AromaticContact CG-CD2 3.94Å; Y352-F381 HydrophobicContact CG-CD2 3.94Å; Y352-A383 HydrophobicContact CD1-CB 4.13Å; Y352-P388 HydrophobicContact CD1-CB 4.42Å; Y352-P388 HydrophobicContact CE1-CB 3.78Å; Y352-P388 HydrophobicContact CE1-CG 3.55Å; Y352-P388 WeakPolarHBondContact OH-CG 3.47Å
353	H	94.6	Very high	93.9	Very high	65 Å²	65	41.1 Å²	41.1	30%	0.301	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	153.8	162.2	-67.3	157.7	0	0	0	109.7	P316 F381 Y382 Y389	P316-H353 VanDerWaalsContact CG-CD2 3.42Å; P316-H353 WeakPolarHBondContact CG-CD2 3.12Å; H353-F381 CarbonylContact O-C 3.46Å; H353-F381 WeakPolarHBondContact O-CA 3.26Å; H353-F381 VanDerWaalsContact O-CB 3.27Å; H353-F381 WeakPolarHBondContact O-CB 3.41Å; H353-Y382 HydrophobicContact CB-CD1 4.4Å; H353-Y382 HydrophobicContact CB-CD2 4.15Å; H353-Y382 HydrophobicContact CB-CE1 3.94Å; H353-Y382 HydrophobicContact CB-CE2 3.67Å; H353-Y382 HydrophobicContact CB-CG 4.5Å; H353-Y382 PolarHBondContact N-O 2.9Å; H353-Y382 AromaticContact ND1-CE2 4Å; H353-Y382 PolarHBondContact O-N 2.99Å; H353-Y389 AromaticContact CE1-CE2 3.73Å; H353-Y389 AromaticContact CE1-CZ 3.87Å; H353-Y389 AromaticContact CG-CE2 3.83Å; H353-Y389 AromaticContact ND1-CE2 3.62Å; H353-Y389 AromaticContact ND1-CZ 3.8Å; H353-Y389 PolarHBondContact ND1-OH 2.95Å; H353-Y389 AromaticContact NE2-CE2 4Å
354	Q	93.9	Very high	93.6	Very high	14 Å²	14	41.4 Å²	41.4	7%	0.065	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146	170.3	-67.4	-162.2	65.2	0	0	110.5	I229 A311 S314 I380 F381	I229-Q354 HydrophobicContact CD1-CG 3.84Å; A311-Q354 PolarHBondContact O-NE2 2.93Å; S314-Q354 PolarHBondContact O-NE2 3.13Å; Q354-I380 WeakPolarHBondContact CA-O 3.36Å; Q354-F381 HydrophobicContact CG-CB 4.14Å
355	V	93.4	Very high	93.4	Very high	48 Å²	48	48.4 Å²	48.4	29%	0.291	25%	0.253	S	S	.	.			trans	-55.7	137.8	166.3	173.6	0	0	0	0	108.5	N357 I363 I380 Y382	V355-N357 PolarHBondContact O-N 2.82Å; V355-N357 VanDerWaalsContact O-N 3.07Å; V355-I363 HydrophobicContact CG1-CD1 4.17Å; V355-I380 HydrophobicContact CB-CB 4.25Å; V355-I380 HydrophobicContact CB-CG2 4.24Å; V355-I380 HydrophobicContact CG2-CB 4.16Å; V355-I380 HydrophobicContact CG2-CG2 3.63Å; V355-I380 PolarHBondContact N-O 2.92Å; V355-Y382 HydrophobicContact CG2-CD1 4.27Å; V355-Y382 HydrophobicContact CG2-CE1 4.24Å
356	P	91.6	Very high	93.2	Very high	96 Å²	96	52.4 Å²	52.4	62%	0.623	27%	0.273	S	S	*	.			trans	-50.3	118.1	179.6	-29.5	35.8	0	0	0	112.5
357	N	91.2	Very high	93.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.			trans	-138.4	48.6	-173.7	69	-20.5	0	0	0	111.3	L312 K315 V355 I363 R364 Q367	L312-N357 PolarHBondContact O-ND2 3.02Å; K315-N357 VanDerWaalsContact CE-OD1 3.27Å; K315-N357 WeakPolarHBondContact CE-OD1 3.45Å; K315-N357 PolarHBondContact NZ-OD1 2.8Å; V355-N357 PolarHBondContact O-N 2.82Å; V355-N357 VanDerWaalsContact O-N 3.07Å; N357-I363 HydrophobicContact CB-CG2 4.19Å; N357-R364 PolarHBondContact ND2-NH2 3.23Å; N357-R364 VanDerWaalsContact ND2-NH2 3.17Å; N357-R364 PolarHBondContact O-NE 3.22Å; N357-R364 PolarHBondContact O-NH2 2.76Å; N357-R364 VanDerWaalsContact O-NH2 3.13Å; N357-Q367 PolarHBondContact ND2-OE1 3.23Å; N357-Q367 VanDerWaalsContact ND2-OE1 3.14Å
358	E	90.5	Very high	92.9	Very high	139 Å²	139	56.1 Å²	56.1	65%	0.65	29%	0.292	S	S	*	.			trans	-58	148.4	-179.6	-63.6	178.2	-177.3	0	0	112.2	G360 S361 R364	E358-G360 PolarHBondContact O-N 3.06Å; E358-S361 WeakPolarHBondContact O-CB 3.45Å; E358-S361 PolarHBondContact O-N 2.97Å; E358-S361 PolarHBondContact O-OG 2.85Å; E358-R364 VanDerWaalsContact O-CB 3.24Å; E358-R364 WeakPolarHBondContact O-CB 3.1Å
359	K	87.6	Confident	92.6	Very high	125 Å²	125	61.3 Å²	61.3	54%	0.543	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	128.2	175.8	-69.7	178.1	-178.8	169.6	0	109.2	D313	D313-K359 IonicContact OD2-NZ 3.67Å
360	G	89.3	Confident	92.3	Very high	83 Å²	83	64.3 Å²	64.3	86%	0.856	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.7	-14.1	-173.3	0	0	0	0	0	114.9	E358	E358-G360 PolarHBondContact O-N 3.06Å
361	S	93.4	Very high	92	Very high	37 Å²	37	64.1 Å²	64.1	26%	0.259	33%	0.325	S	S	.	.	S	Bend	trans	-68.3	153.8	171.2	69.7	0	0	0	0	111.7	E358 I363 R364 W365	E358-S361 WeakPolarHBondContact O-CB 3.45Å; E358-S361 PolarHBondContact O-N 2.97Å; E358-S361 PolarHBondContact O-OG 2.85Å; S361-I363 VanDerWaalsContact C-N 3.3Å; S361-I363 PolarHBondContact O-N 3.33Å; S361-R364 PolarHBondContact O-N 3.38Å; S361-R364 WeakPolarHBondContact OG-CB 3.39Å; S361-R364 PolarHBondContact OG-N 3.05Å; S361-W365 PolarHBondContact O-N 2.94Å
362	W	93.3	Very high	91.5	Very high	181 Å²	181	68.5 Å²	68.5	69%	0.686	36%	0.356	S	S	*	.	H	α-helix	trans	-58.6	-40.2	174.5	161.7	80.3	0	0	0	112.6	W365 L366	W362-W365 PolarHBondContact O-N 3.34Å; W362-L366 HydrophobicContact CZ2-CD2 4.1Å; W362-L366 PolarHBondContact O-N 3.03Å
363	I	93.2	Very high	90.9	Very high	40 Å²	40	73.5 Å²	73.5	21%	0.205	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-49.9	177.9	-62.2	178.1	0	0	0	109.6	V355 N357 S361 W365 L366 Q367 I380	V355-I363 HydrophobicContact CG1-CD1 4.17Å; N357-I363 HydrophobicContact CB-CG2 4.19Å; S361-I363 VanDerWaalsContact C-N 3.3Å; S361-I363 PolarHBondContact O-N 3.33Å; I363-W365 PolarHBondContact O-N 2.75Å; I363-L366 WeakPolarHBondContact O-CB 3.43Å; I363-L366 PolarHBondContact O-N 2.95Å; I363-Q367 HydrophobicContact CG2-CG 4.36Å; I363-Q367 WeakPolarHBondContact O-CG 3.41Å; I363-Q367 PolarHBondContact O-N 3.5Å; I363-I380 HydrophobicContact CG2-CD1 4.41Å
364	R	93.5	Very high	90.3	Very high	6 Å²	6	76.1 Å²	76.1	2%	0.023	39%	0.393	C	S	.	.	H	α-helix	trans	-63.3	-43.1	-179.9	179.7	55.5	70.8	119.8	12.3	111.7	L312 D313 N357 E358 S361 L366 Q367 D368	L312-R364 VanDerWaalsContact CB-NH1 3.34Å; L312-R364 PolarHBondContact O-NH2 3.13Å; D313-R364 IonicContact OD1-CZ 3.17Å; D313-R364 IonicContact OD1-NH1 2.73Å; D313-R364 PolarHBondContact OD1-NH1 2.82Å; D313-R364 IonicContact OD1-NH2 3.24Å; D313-R364 PolarHBondContact OD1-NH2 3.48Å; N357-R364 PolarHBondContact ND2-NH2 3.23Å; N357-R364 VanDerWaalsContact ND2-NH2 3.17Å; N357-R364 PolarHBondContact O-NE 3.22Å; N357-R364 PolarHBondContact O-NH2 2.76Å; N357-R364 VanDerWaalsContact O-NH2 3.13Å; E358-R364 VanDerWaalsContact O-CB 3.24Å; E358-R364 WeakPolarHBondContact O-CB 3.1Å; S361-R364 PolarHBondContact O-N 3.38Å; S361-R364 WeakPolarHBondContact OG-CB 3.39Å; S361-R364 PolarHBondContact OG-N 3.05Å; R364-L366 VanDerWaalsContact C-N 3.27Å; R364-L366 PolarHBondContact O-N 2.67Å; R364-Q367 PolarHBondContact O-N 2.66Å; R364-Q367 VanDerWaalsContact O-N 3.16Å; R364-D368 WeakPolarHBondContact CD-OD1 3.32Å; R364-D368 WeakPolarHBondContact CD-OD2 3.29Å; R364-D368 WeakPolarHBondContact CG-OD2 3.32Å; R364-D368 WeakPolarHBondContact O-CB 3.38Å; R364-D368 VanDerWaalsContact O-CG 3.3Å; R364-D368 PolarHBondContact O-N 2.75Å
365	W	93.3	Very high	89.7	Confident	146 Å²	146	79.7 Å²	79.7	55%	0.553	42%	0.415	S	S	*	.	H	α-helix	trans	-55.7	-42.6	174.8	173.2	87.7	0	0	0	112.2	S361 W362 I363 K369	S361-W365 PolarHBondContact O-N 2.94Å; W362-W365 PolarHBondContact O-N 3.34Å; I363-W365 PolarHBondContact O-N 2.75Å; W365-K369 HydrophobicContact CH2-CD 4Å; W365-K369 HydrophobicContact CZ2-CD 3.94Å; W365-K369 VanDerWaalsContact O-CB 3.29Å; W365-K369 WeakPolarHBondContact O-CB 3.46Å; W365-K369 PolarHBondContact O-N 2.81Å
366	L	92.5	Very high	89.3	Confident	84 Å²	84	79.8 Å²	79.8	44%	0.44	42%	0.416	S	S	.	.	H	α-helix	trans	-66.4	-45.4	176.6	-178.4	64.6	0	0	0	111.6	W362 I363 R364 K369 F370	W362-L366 HydrophobicContact CZ2-CD2 4.1Å; W362-L366 PolarHBondContact O-N 3.03Å; I363-L366 WeakPolarHBondContact O-CB 3.43Å; I363-L366 PolarHBondContact O-N 2.95Å; R364-L366 VanDerWaalsContact C-N 3.27Å; R364-L366 PolarHBondContact O-N 2.67Å; L366-K369 PolarHBondContact O-N 2.89Å; L366-F370 WeakPolarHBondContact O-CB 3.44Å; L366-F370 PolarHBondContact O-N 3.21Å
367	Q	93.5	Very high	88.9	Confident	11 Å²	11	76.1 Å²	76.1	5%	0.051	39%	0.394	C	S	.	.	H	α-helix	trans	-60.5	-44.9	177.2	-72.6	178.7	-45.3	0	0	111.7	L312 N357 I363 R364 F370 T371 L378	L312-Q367 HydrophobicContact CD1-CB 3.93Å; L312-Q367 HydrophobicContact CD2-CB 4.17Å; L312-Q367 HydrophobicContact CD2-CG 4.3Å; N357-Q367 PolarHBondContact ND2-OE1 3.23Å; N357-Q367 VanDerWaalsContact ND2-OE1 3.14Å; I363-Q367 HydrophobicContact CG2-CG 4.36Å; I363-Q367 WeakPolarHBondContact O-CG 3.41Å; I363-Q367 PolarHBondContact O-N 3.5Å; R364-Q367 PolarHBondContact O-N 2.66Å; R364-Q367 VanDerWaalsContact O-N 3.16Å; Q367-F370 PolarHBondContact O-N 3.36Å; Q367-T371 VanDerWaalsContact O-CB 3.27Å; Q367-T371 WeakPolarHBondContact O-CB 3.14Å; Q367-T371 PolarHBondContact O-N 2.97Å; Q367-T371 PolarHBondContact O-OG1 3.3Å; Q367-L378 PolarHBondContact NE2-O 3.06Å
368	D	90.7	Very high	88.6	Confident	74 Å²	74	80.5 Å²	80.5	40%	0.396	42%	0.417	S	S	.	.	H	α-helix	trans	-66.6	-44.1	179.4	-70.1	-22.3	0	0	0	111	R364 F370 T371 S372	R364-D368 WeakPolarHBondContact CD-OD1 3.32Å; R364-D368 WeakPolarHBondContact CD-OD2 3.29Å; R364-D368 WeakPolarHBondContact CG-OD2 3.32Å; R364-D368 WeakPolarHBondContact O-CB 3.38Å; R364-D368 VanDerWaalsContact O-CG 3.3Å; R364-D368 PolarHBondContact O-N 2.75Å; D368-F370 PolarHBondContact O-N 2.89Å; D368-T371 PolarHBondContact O-N 2.77Å; D368-S372 WeakPolarHBondContact O-CB 3.3Å; D368-S372 PolarHBondContact O-N 3.21Å; D368-S372 PolarHBondContact O-OG 2.85Å
369	K	89.3	Confident	88.5	Confident	108 Å²	108	74.9 Å²	74.9	47%	0.47	39%	0.393	S	S	.	.	H	α-helix	trans	-60.2	-47.1	175.7	-171.4	176.8	-176.4	-175.3	0	111	W365 L366 S372 I373	W365-K369 HydrophobicContact CH2-CD 4Å; W365-K369 HydrophobicContact CZ2-CD 3.94Å; W365-K369 VanDerWaalsContact O-CB 3.29Å; W365-K369 WeakPolarHBondContact O-CB 3.46Å; W365-K369 PolarHBondContact O-N 2.81Å; L366-K369 PolarHBondContact O-N 2.89Å; K369-S372 PolarHBondContact O-N 2.86Å; K369-S372 PolarHBondContact O-OG 3.43Å; K369-I373 HydrophobicContact CG-CD1 4.33Å; K369-I373 WeakPolarHBondContact O-CG1 3.39Å; K369-I373 PolarHBondContact O-N 2.96Å
370	F	88.6	Confident	88.7	Confident	66 Å²	66	73.3 Å²	73.3	29%	0.289	39%	0.389	S	S	.	.	H	α-helix	trans	-60.9	-48.6	176.3	-177.8	-85.5	0	0	0	111.7	L366 Q367 D368 S372 I373 F374 V376 L378	L366-F370 WeakPolarHBondContact O-CB 3.44Å; L366-F370 PolarHBondContact O-N 3.21Å; Q367-F370 PolarHBondContact O-N 3.36Å; D368-F370 PolarHBondContact O-N 2.89Å; F370-S372 VanDerWaalsContact C-N 3.27Å; F370-S372 PolarHBondContact O-N 2.85Å; F370-I373 PolarHBondContact O-N 2.95Å; F370-I373 VanDerWaalsContact O-N 3.09Å; F370-F374 HydrophobicContact CD1-CB 4.46Å; F370-F374 AromaticContact CD1-CD2 3.99Å; F370-F374 HydrophobicContact CD1-CD2 3.99Å; F370-F374 AromaticContact CD2-CD2 3.45Å; F370-F374 HydrophobicContact CD2-CD2 3.45Å; F370-F374 VanDerWaalsContact CD2-CD2 3.45Å; F370-F374 AromaticContact CD2-CE2 3.59Å; F370-F374 HydrophobicContact CD2-CE2 3.59Å; F370-F374 HydrophobicContact CE1-CB 3.95Å; F370-F374 AromaticContact CE1-CD2 3.78Å; F370-F374 HydrophobicContact CE1-CD2 3.78Å; F370-F374 HydrophobicContact CE1-CG 4.16Å; F370-F374 AromaticContact CE2-CD2 3.23Å; F370-F374 HydrophobicContact CE2-CD2 3.23Å; F370-F374 AromaticContact CE2-CE2 3.36Å; F370-F374 HydrophobicContact CE2-CE2 3.36Å; F370-F374 HydrophobicContact CE2-CG 4.13Å; F370-F374 HydrophobicContact CE2-CZ 4.33Å; F370-F374 AromaticContact CG-CD2 3.83Å; F370-F374 HydrophobicContact CG-CD2 3.83Å; F370-F374 HydrophobicContact CG-CE2 4.37Å; F370-F374 HydrophobicContact CZ-CB 4.12Å; F370-F374 AromaticContact CZ-CD2 3.39Å; F370-F374 HydrophobicContact CZ-CD2 3.39Å; F370-F374 AromaticContact CZ-CE2 3.97Å; F370-F374 HydrophobicContact CZ-CE2 3.97Å; F370-F374 AromaticContact CZ-CG 3.86Å; F370-F374 HydrophobicContact CZ-CG 3.86Å; F370-F374 WeakPolarHBondContact O-CD2 3.33Å; F370-F374 PolarHBondContact O-N 3.25Å; F370-V376 WeakPolarHBondContact CD1-O 3.15Å; F370-L378 HydrophobicContact CD1-CD1 3.74Å; F370-L378 HydrophobicContact CD1-CG 3.97Å; F370-L378 HydrophobicContact CD2-CD1 4.26Å; F370-L378 HydrophobicContact CE1-CD1 3.39Å; F370-L378 HydrophobicContact CE1-CD2 4.47Å; F370-L378 HydrophobicContact CE1-CG 3.63Å; F370-L378 HydrophobicContact CE2-CD1 3.94Å; F370-L378 HydrophobicContact CG-CD1 4.17Å; F370-L378 HydrophobicContact CZ-CD1 3.51Å; F370-L378 HydrophobicContact CZ-CG 4.19Å
371	T	87.5	Confident	88.8	Confident	17 Å²	17	71.9 Å²	71.9	10%	0.104	36%	0.359	C	S	.	.	H	α-helix	trans	-62.1	-36	-178.5	-55.7	0	0	0	0	111.4	A308 Q367 D368 I373 T375 V376	A308-T371 HydrophobicContact CB-CG2 3.77Å; Q367-T371 VanDerWaalsContact O-CB 3.27Å; Q367-T371 WeakPolarHBondContact O-CB 3.14Å; Q367-T371 PolarHBondContact O-N 2.97Å; Q367-T371 PolarHBondContact O-OG1 3.3Å; D368-T371 PolarHBondContact O-N 2.77Å; T371-I373 VanDerWaalsContact C-N 3.31Å; T371-I373 PolarHBondContact O-N 3.18Å; T371-T375 WeakPolarHBondContact O-CA 3.49Å; T371-T375 PolarHBondContact O-N 3.11Å; T371-V376 WeakPolarHBondContact CA-O 3.4Å; T371-V376 PolarHBondContact OG1-O 3.39Å
372	S	85	Confident	88.8	Confident	93 Å²	93	75.6 Å²	75.6	65%	0.65	37%	0.368	S	S	*	.	H	α-helix	trans	-65.8	-32.4	176.3	74.6	0	0	0	0	113.2	D368 K369 F370	D368-S372 WeakPolarHBondContact O-CB 3.3Å; D368-S372 PolarHBondContact O-N 3.21Å; D368-S372 PolarHBondContact O-OG 2.85Å; K369-S372 PolarHBondContact O-N 2.86Å; K369-S372 PolarHBondContact O-OG 3.43Å; F370-S372 VanDerWaalsContact C-N 3.27Å; F370-S372 PolarHBondContact O-N 2.85Å
373	I	82.2	Confident	88.8	Confident	110 Å²	110	67.8 Å²	67.8	56%	0.564	34%	0.343	S	S	*	.	H	α-helix	trans	-82.4	-46.2	-179.4	-64.3	166.3	0	0	0	110.8	K369 F370 T371	K369-I373 HydrophobicContact CG-CD1 4.33Å; K369-I373 WeakPolarHBondContact O-CG1 3.39Å; K369-I373 PolarHBondContact O-N 2.96Å; F370-I373 PolarHBondContact O-N 2.95Å; F370-I373 VanDerWaalsContact O-N 3.09Å; T371-I373 VanDerWaalsContact C-N 3.31Å; T371-I373 PolarHBondContact O-N 3.18Å
374	F	83.1	Confident	88.6	Confident	120 Å²	120	70.6 Å²	70.6	53%	0.526	35%	0.351	S	S	.	.	H	α-helix	trans	-101.8	-9	-170.7	-63.2	-74.1	0	0	0	114	F370 V376	F370-F374 HydrophobicContact CD1-CB 4.46Å; F370-F374 AromaticContact CD1-CD2 3.99Å; F370-F374 HydrophobicContact CD1-CD2 3.99Å; F370-F374 AromaticContact CD2-CD2 3.45Å; F370-F374 HydrophobicContact CD2-CD2 3.45Å; F370-F374 VanDerWaalsContact CD2-CD2 3.45Å; F370-F374 AromaticContact CD2-CE2 3.59Å; F370-F374 HydrophobicContact CD2-CE2 3.59Å; F370-F374 HydrophobicContact CE1-CB 3.95Å; F370-F374 AromaticContact CE1-CD2 3.78Å; F370-F374 HydrophobicContact CE1-CD2 3.78Å; F370-F374 HydrophobicContact CE1-CG 4.16Å; F370-F374 AromaticContact CE2-CD2 3.23Å; F370-F374 HydrophobicContact CE2-CD2 3.23Å; F370-F374 AromaticContact CE2-CE2 3.36Å; F370-F374 HydrophobicContact CE2-CE2 3.36Å; F370-F374 HydrophobicContact CE2-CG 4.13Å; F370-F374 HydrophobicContact CE2-CZ 4.33Å; F370-F374 AromaticContact CG-CD2 3.83Å; F370-F374 HydrophobicContact CG-CD2 3.83Å; F370-F374 HydrophobicContact CG-CE2 4.37Å; F370-F374 HydrophobicContact CZ-CB 4.12Å; F370-F374 AromaticContact CZ-CD2 3.39Å; F370-F374 HydrophobicContact CZ-CD2 3.39Å; F370-F374 AromaticContact CZ-CE2 3.97Å; F370-F374 HydrophobicContact CZ-CE2 3.97Å; F370-F374 AromaticContact CZ-CG 3.86Å; F370-F374 HydrophobicContact CZ-CG 3.86Å; F370-F374 WeakPolarHBondContact O-CD2 3.33Å; F370-F374 PolarHBondContact O-N 3.25Å; F374-V376 PolarHBondContact O-N 3.16Å; F374-V376 VanDerWaalsContact O-N 3.13Å
375	T	81	Confident	88.3	Confident	89 Å²	89	73.4 Å²	73.4	55%	0.546	38%	0.382	S	S	.	.	S	Bend	trans	59.1	15.6	-173.8	-41.6	0	0	0	0	113.7	L259 T371	L259-T375 HydrophobicContact CD1-CG2 3.91Å; L259-T375 WeakPolarHBondContact CD2-O 3.23Å; T371-T375 WeakPolarHBondContact O-CA 3.49Å; T371-T375 PolarHBondContact O-N 3.11Å
376	V	84.1	Confident	87.6	Confident	51 Å²	51	69.7 Å²	69.7	31%	0.309	38%	0.377	S	S	.	.			trans	-118.3	130.1	179.6	176.4	0	0	0	0	108.5	L259 F370 T371 F374	L259-V376 HydrophobicContact CD2-CG2 3.55Å; F370-V376 WeakPolarHBondContact CD1-O 3.15Å; T371-V376 WeakPolarHBondContact CA-O 3.4Å; T371-V376 PolarHBondContact OG1-O 3.39Å; F374-V376 PolarHBondContact O-N 3.16Å; F374-V376 VanDerWaalsContact O-N 3.13Å
377	A	84.5	Confident	87.5	Confident	18 Å²	18	68.4 Å²	68.4	15%	0.149	37%	0.367	C	S	.	.			trans	-82.4	141.7	170.6	0	0	0	0	0	110.9	A308 A311 L312 P379	A308-A377 HydrophobicContact CB-CB 3.64Å; A308-A377 WeakPolarHBondContact O-CB 3.36Å; A311-A377 HydrophobicContact CB-CB 4.4Å; L312-A377 HydrophobicContact CD2-CB 3.94Å; L312-A377 HydrophobicContact CG-CB 3.93Å; A377-P379 VanDerWaalsContact O-CD 3.29Å; A377-P379 WeakPolarHBondContact O-CD 3.37Å
378	L	85.1	Confident	87.5	Confident	92 Å²	92	67.9 Å²	67.9	48%	0.482	37%	0.365	S	S	.	.			trans	-116.5	72.2	171.5	-66.2	178.3	0	0	0	109.6	Q367 F370 I380	Q367-L378 PolarHBondContact NE2-O 3.06Å; F370-L378 HydrophobicContact CD1-CD1 3.74Å; F370-L378 HydrophobicContact CD1-CG 3.97Å; F370-L378 HydrophobicContact CD2-CD1 4.26Å; F370-L378 HydrophobicContact CE1-CD1 3.39Å; F370-L378 HydrophobicContact CE1-CD2 4.47Å; F370-L378 HydrophobicContact CE1-CG 3.63Å; F370-L378 HydrophobicContact CE2-CD1 3.94Å; F370-L378 HydrophobicContact CG-CD1 4.17Å; F370-L378 HydrophobicContact CZ-CD1 3.51Å; F370-L378 HydrophobicContact CZ-CG 4.19Å; L378-I380 PolarHBondContact O-N 3.37Å
379	P	88.4	Confident	87.7	Confident	22 Å²	22	66.9 Å²	66.9	14%	0.143	36%	0.356	C	S	.	.			trans	-61.4	131.7	171.6	26.6	-31.8	0	0	0	109.2	I229 L312 A377 F381	I229-P379 HydrophobicContact CD1-CB 3.99Å; I229-P379 HydrophobicContact CD1-CG 4.24Å; I229-P379 HydrophobicContact CG2-CG 4.19Å; L312-P379 HydrophobicContact CD2-CB 4.36Å; A377-P379 VanDerWaalsContact O-CD 3.29Å; A377-P379 WeakPolarHBondContact O-CD 3.37Å; P379-F381 HydrophobicContact CB-CD1 4.22Å; P379-F381 HydrophobicContact CG-CD1 3.99Å; P379-F381 HydrophobicContact CG-CE1 4.43Å; P379-F381 VanDerWaalsContact O-CD1 3.31Å; P379-F381 WeakPolarHBondContact O-CD1 3.35Å; P379-F381 PolarHBondContact O-N 2.95Å
380	I	91.1	Very high	87.9	Confident	91 Å²	91	65.6 Å²	65.6	47%	0.467	35%	0.348	S	S	.	.			trans	-91.1	88.8	173.2	-54.1	175.3	0	0	0	106.3	Q354 V355 I363 L378	Q354-I380 WeakPolarHBondContact CA-O 3.36Å; V355-I380 HydrophobicContact CB-CB 4.25Å; V355-I380 HydrophobicContact CB-CG2 4.24Å; V355-I380 HydrophobicContact CG2-CB 4.16Å; V355-I380 HydrophobicContact CG2-CG2 3.63Å; V355-I380 PolarHBondContact N-O 2.92Å; I363-I380 HydrophobicContact CG2-CD1 4.41Å; L378-I380 PolarHBondContact O-N 3.37Å
381	F	92	Very high	88.2	Confident	54 Å²	54	67.6 Å²	67.6	24%	0.237	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	157	-173.5	67.5	-90.9	0	0	0	112.7	L61 I229 Y352 H353 Q354 P379	L61-F381 HydrophobicContact CD1-CZ 4.06Å; L61-F381 HydrophobicContact CD2-CE1 4.42Å; L61-F381 HydrophobicContact CD2-CZ 4.18Å; I229-F381 HydrophobicContact CD1-CB 4.29Å; I229-F381 HydrophobicContact CG1-CB 4.37Å; I229-F381 HydrophobicContact CG1-CG 4.44Å; I229-F381 HydrophobicContact CG2-CD1 3.48Å; I229-F381 VanDerWaalsContact CG2-CD1 3.48Å; I229-F381 HydrophobicContact CG2-CD2 4.21Å; I229-F381 HydrophobicContact CG2-CE1 3.53Å; I229-F381 HydrophobicContact CG2-CE2 4.24Å; I229-F381 HydrophobicContact CG2-CG 3.84Å; I229-F381 HydrophobicContact CG2-CZ 3.91Å; Y352-F381 AromaticContact CD1-CD2 3.43Å; Y352-F381 HydrophobicContact CD1-CD2 3.43Å; Y352-F381 VanDerWaalsContact CD1-CD2 3.43Å; Y352-F381 AromaticContact CD1-CE2 3.78Å; Y352-F381 HydrophobicContact CD1-CE2 3.78Å; Y352-F381 HydrophobicContact CD1-CG 4.46Å; Y352-F381 AromaticContact CE1-CD2 3.91Å; Y352-F381 HydrophobicContact CE1-CD2 3.91Å; Y352-F381 AromaticContact CE1-CE2 3.74Å; Y352-F381 HydrophobicContact CE1-CE2 3.74Å; Y352-F381 AromaticContact CG-CD2 3.94Å; Y352-F381 HydrophobicContact CG-CD2 3.94Å; H353-F381 CarbonylContact O-C 3.46Å; H353-F381 WeakPolarHBondContact O-CA 3.26Å; H353-F381 VanDerWaalsContact O-CB 3.27Å; H353-F381 WeakPolarHBondContact O-CB 3.41Å; Q354-F381 HydrophobicContact CG-CB 4.14Å; P379-F381 HydrophobicContact CB-CD1 4.22Å; P379-F381 HydrophobicContact CG-CD1 3.99Å; P379-F381 HydrophobicContact CG-CE1 4.43Å; P379-F381 VanDerWaalsContact O-CD1 3.31Å; P379-F381 WeakPolarHBondContact O-CD1 3.35Å; P379-F381 PolarHBondContact O-N 2.95Å
382	Y	93.1	Very high	88.5	Confident	114 Å²	114	69.3 Å²	69.3	45%	0.447	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	159.7	177.9	61.7	-86.6	0	0	0	110.7	H353 V355	H353-Y382 HydrophobicContact CB-CD1 4.4Å; H353-Y382 HydrophobicContact CB-CD2 4.15Å; H353-Y382 HydrophobicContact CB-CE1 3.94Å; H353-Y382 HydrophobicContact CB-CE2 3.67Å; H353-Y382 HydrophobicContact CB-CG 4.5Å; H353-Y382 PolarHBondContact N-O 2.9Å; H353-Y382 AromaticContact ND1-CE2 4Å; H353-Y382 PolarHBondContact O-N 2.99Å; V355-Y382 HydrophobicContact CG2-CD1 4.27Å; V355-Y382 HydrophobicContact CG2-CE1 4.24Å
383	A	93.1	Very high	89	Confident	18 Å²	18	64.9 Å²	64.9	15%	0.149	34%	0.337	C	S	.	.	S	Bend	trans	-146.5	-123.7	174.1	0	0	0	0	0	109.6	Y352 G385 F387 Y389	Y352-A383 HydrophobicContact CD1-CB 4.13Å; A383-G385 PolarHBondContact O-N 2.78Å; A383-F387 WeakPolarHBondContact CB-O 3.37Å; A383-Y389 HydrophobicContact CB-CD2 3.88Å; A383-Y389 HydrophobicContact CB-CE2 3.83Å; A383-Y389 HydrophobicContact CB-CG 4.35Å
384	R	89.7	Confident	89.6	Confident	98 Å²	98	62.2 Å²	62.2	37%	0.37	32%	0.32	S	S	.	.	B	Isolated β-bridge	trans	-96.6	69.4	178.8	-58.2	178	-60.2	114.5	1.2	109.7	Y156 F387 P388 Y389	Y156-R384 PolarHBondContact OH-NH2 3.49Å; R384-F387 WeakPolarHBondContact CA-O 3.41Å; R384-F387 WeakPolarHBondContact CB-O 3.45Å; R384-F387 PolarHBondContact N-O 3.22Å; R384-F387 PolarHBondContact O-N 3.31Å; R384-P388 PolarHBondContact NE-O 2.95Å; R384-P388 VanDerWaalsContact NE-O 3.17Å; R384-P388 PolarHBondContact NH2-O 3Å; R384-Y389 HydrophobicContact CG-CD1 3.68Å; R384-Y389 HydrophobicContact CG-CE1 3.57Å
385	G	85.7	Confident	90.2	Very high	65 Å²	65	56.5 Å²	56.5	67%	0.67	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	-124.9	-170.7	0	0	0	0	0	110.5	A383 F387	A383-G385 PolarHBondContact O-N 2.78Å; G385-F387 PolarHBondContact O-N 3.45Å
386	P	78.4	Confident	90.9	Very high	69 Å²	69	52.2 Å²	52.2	45%	0.448	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-6.7	177.7	35	-36.2	0	0	0	113	Y54	Y54-P386 HydrophobicContact CD2-CB 3.93Å; Y54-P386 HydrophobicContact CE2-CB 3.89Å
387	F	90.7	Very high	91.5	Very high	57 Å²	57	49.8 Å²	49.8	25%	0.25	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-103.6	129.4	-173.1	-60.4	-68.2	0	0	0	112	N50 A383 R384 G385	N50-F387 HydrophobicContact CB-CD1 4.27Å; N50-F387 HydrophobicContact CB-CE1 3.79Å; N50-F387 HydrophobicContact CB-CZ 4.26Å; N50-F387 WeakPolarHBondContact O-CE1 3.38Å; A383-F387 WeakPolarHBondContact CB-O 3.37Å; R384-F387 WeakPolarHBondContact CA-O 3.41Å; R384-F387 WeakPolarHBondContact CB-O 3.45Å; R384-F387 PolarHBondContact N-O 3.22Å; R384-F387 PolarHBondContact O-N 3.31Å; G385-F387 PolarHBondContact O-N 3.45Å
388	P	93.8	Very high	92	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-58.7	164.7	172.1	-25.3	37.6	0	0	0	113.5	V53 V57 Y156 F157 Y352 R384	V53-P388 HydrophobicContact CG1-CG 3.63Å; V57-P388 HydrophobicContact CG2-CG 3.91Å; Y156-P388 HydrophobicContact CE1-CB 4.39Å; Y156-P388 PolarHBondContact OH-O 3.11Å; F157-P388 HydrophobicContact CE1-CB 3.54Å; F157-P388 HydrophobicContact CE1-CG 4.35Å; F157-P388 HydrophobicContact CZ-CB 3.46Å; F157-P388 VanDerWaalsContact CZ-CB 3.46Å; F157-P388 HydrophobicContact CZ-CG 3.75Å; Y352-P388 HydrophobicContact CD1-CB 4.42Å; Y352-P388 HydrophobicContact CE1-CB 3.78Å; Y352-P388 HydrophobicContact CE1-CG 3.55Å; Y352-P388 WeakPolarHBondContact OH-CG 3.47Å; R384-P388 PolarHBondContact NE-O 2.95Å; R384-P388 VanDerWaalsContact NE-O 3.17Å; R384-P388 PolarHBondContact NH2-O 3Å
389	Y	96.1	Very high	92.4	Very high	53 Å²	53	45.2 Å²	45.2	21%	0.208	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-71.1	136.8	171.1	-66.1	-68.3	0	0	0	110.4	F157 L351 H353 A383 R384 K391	F157-Y389 VanDerWaalsContact CE1-O 3.32Å; F157-Y389 WeakPolarHBondContact CE1-O 3.36Å; L351-Y389 PolarHBondContact O-N 3.42Å; H353-Y389 AromaticContact CE1-CE2 3.73Å; H353-Y389 AromaticContact CE1-CZ 3.87Å; H353-Y389 AromaticContact CG-CE2 3.83Å; H353-Y389 AromaticContact ND1-CE2 3.62Å; H353-Y389 AromaticContact ND1-CZ 3.8Å; H353-Y389 PolarHBondContact ND1-OH 2.95Å; H353-Y389 AromaticContact NE2-CE2 4Å; A383-Y389 HydrophobicContact CB-CD2 3.88Å; A383-Y389 HydrophobicContact CB-CE2 3.83Å; A383-Y389 HydrophobicContact CB-CG 4.35Å; R384-Y389 HydrophobicContact CG-CD1 3.68Å; R384-Y389 HydrophobicContact CG-CE1 3.57Å; Y389-K391 PolarHBondContact O-N 2.96Å
390	R	93.6	Very high	92.8	Very high	80 Å²	80	44.6 Å²	44.6	30%	0.302	23%	0.226	S	C	.	.			trans	-79.1	87.2	174.1	-73.1	-178.3	169.7	122.6	-6.8	109.1	E46 N50 Y156	E46-R390 IonicContact OE1-CZ 3.96Å; E46-R390 IonicContact OE1-NH1 3.55Å; E46-R390 PolarHBondContact OE1-NH1 2.87Å; E46-R390 IonicContact OE1-NH2 2.79Å; E46-R390 PolarHBondContact OE1-NH2 3.05Å; N50-R390 PolarHBondContact ND2-NH2 3.08Å; N50-R390 PolarHBondContact OD1-NH2 2.82Å; Y156-R390 HydrophobicContact CD1-CG 4.02Å; Y156-R390 HydrophobicContact CD2-CG 4.09Å; Y156-R390 HydrophobicContact CE1-CG 3.67Å; Y156-R390 HydrophobicContact CE2-CG 3.83Å; Y156-R390 VanDerWaalsContact CE2-NH2 3.3Å; Y156-R390 HydrophobicContact CG-CG 4.23Å
391	K	94.4	Very high	93.1	Very high	108 Å²	108	41 Å²	41	47%	0.47	21%	0.208	S	C	.	.			trans	-124.8	145.4	177.8	-66.2	-68.6	-172.7	168.7	0	109.6	L351 Y389	L351-K391 HydrophobicContact CD2-CB 4.14Å; Y389-K391 PolarHBondContact O-N 2.96Å
392	P	93.8	Very high	93.2	Very high	53 Å²	53	43.9 Å²	43.9	34%	0.344	22%	0.222	S	C	.	.			trans	-70.4	154.1	178.3	32.7	-36.4	0	0	0	110.7	P158 Y394	P158-P392 HydrophobicContact CB-CB 4.13Å; P158-P392 HydrophobicContact CG-CB 4.48Å; P158-P392 WeakPolarHBondContact O-CA 3.37Å; P392-Y394 HydrophobicContact CB-CD2 4.4Å; P392-Y394 HydrophobicContact CB-CE2 3.62Å; P392-Y394 HydrophobicContact CG-CE2 3.97Å
393	V	95	Very high	93.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.8	176.8	175.8	0	0	0	0	109.2	P158 I159 H160 S345 F346 E348 L351	P158-V393 PolarHBondContact O-N 3.1Å; I159-V393 CarbonylContact C-O 3.51Å; I159-V393 VanDerWaalsContact CA-O 3.28Å; I159-V393 WeakPolarHBondContact CA-O 3.48Å; I159-V393 HydrophobicContact CG1-CB 3.83Å; I159-V393 HydrophobicContact CG1-CG1 4.46Å; I159-V393 HydrophobicContact CG1-CG2 4.31Å; H160-V393 PolarHBondContact N-O 3.42Å; S345-V393 VanDerWaalsContact OG-CG1 3.29Å; S345-V393 WeakPolarHBondContact OG-CG1 3.41Å; F346-V393 CarbonylContact O-C 3.05Å; F346-V393 VanDerWaalsContact O-CA 3.23Å; F346-V393 WeakPolarHBondContact O-CA 3.27Å; E348-V393 HydrophobicContact CG-CG1 4.31Å; L351-V393 HydrophobicContact CD1-CG2 4.17Å; L351-V393 HydrophobicContact CD2-CG2 3.84Å; L351-V393 HydrophobicContact CG-CG2 4.28Å
394	Y	94.4	Very high	93.3	Very high	54 Å²	54	45.8 Å²	45.8	21%	0.212	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	107.1	-178.7	-61.8	-87.7	0	0	0	109.5	H160 V162 S345 F346 P392 Y436	H160-Y394 HydrophobicContact CB-CD1 3.72Å; H160-Y394 HydrophobicContact CB-CE1 4.1Å; H160-Y394 AromaticContact CD2-CD1 3.9Å; H160-Y394 AromaticContact CD2-CE1 3.43Å; H160-Y394 VanDerWaalsContact CD2-CE1 3.43Å; H160-Y394 WeakPolarHBondContact CD2-CE1 3.45Å; H160-Y394 AromaticContact CG-CD1 3.99Å; H160-Y394 AromaticContact CG-CE1 3.83Å; V162-Y394 HydrophobicContact CG2-CD1 4.33Å; S345-Y394 CarbonylContact C-O 3.56Å; S345-Y394 WeakPolarHBondContact CA-O 3.47Å; F346-Y394 PolarHBondContact N-O 2.8Å; F346-Y394 PolarHBondContact O-N 2.84Å; P392-Y394 HydrophobicContact CB-CD2 4.4Å; P392-Y394 HydrophobicContact CB-CE2 3.62Å; P392-Y394 HydrophobicContact CG-CE2 3.97Å; Y394-Y436 AromaticContact CD1-CD1 3.54Å; Y394-Y436 HydrophobicContact CD1-CD1 3.54Å; Y394-Y436 AromaticContact CD1-CE1 3.38Å; Y394-Y436 HydrophobicContact CD1-CE1 3.38Å; Y394-Y436 HydrophobicContact CD1-CG 4.22Å; Y394-Y436 AromaticContact CD1-CZ 3.93Å; Y394-Y436 AromaticContact CD2-CD1 3.44Å; Y394-Y436 HydrophobicContact CD2-CD1 3.44Å; Y394-Y436 VanDerWaalsContact CD2-CD1 3.44Å; Y394-Y436 HydrophobicContact CD2-CE1 4.18Å; Y394-Y436 AromaticContact CD2-CG 3.77Å; Y394-Y436 HydrophobicContact CD2-CG 3.77Å; Y394-Y436 AromaticContact CE1-CD1 3.9Å; Y394-Y436 HydrophobicContact CE1-CD1 3.9Å; Y394-Y436 AromaticContact CE1-CE1 3.69Å; Y394-Y436 HydrophobicContact CE1-CE1 3.69Å; Y394-Y436 AromaticContact CE2-CD1 3.78Å; Y394-Y436 HydrophobicContact CE2-CD1 3.78Å; Y394-Y436 HydrophobicContact CE2-CE1 4.41Å; Y394-Y436 HydrophobicContact CE2-CG 4.5Å; Y394-Y436 AromaticContact CG-CD1 3.31Å; Y394-Y436 HydrophobicContact CG-CD1 3.31Å; Y394-Y436 HydrophobicContact CG-CD2 4.16Å; Y394-Y436 AromaticContact CG-CE1 3.67Å; Y394-Y436 HydrophobicContact CG-CE1 3.67Å; Y394-Y436 HydrophobicContact CG-CE2 4.45Å; Y394-Y436 AromaticContact CG-CG 3.6Å; Y394-Y436 HydrophobicContact CG-CG 3.6Å
395	T	96.4	Very high	93.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	102.7	178	-58.5	0	0	0	0	109.9	H160 L161 V162 F224 N237 F238 C343 I344 S345	H160-T395 PolarHBondContact O-N 3.02Å; L161-T395 HydrophobicContact CD1-CG2 4.46Å; V162-T395 PolarHBondContact N-O 2.92Å; F224-T395 HydrophobicContact CD2-CG2 4.22Å; F224-T395 HydrophobicContact CE2-CG2 3.73Å; N237-T395 WeakPolarHBondContact ND2-CB 3.01Å; N237-T395 PolarHBondContact ND2-OG1 3.18Å; F238-T395 HydrophobicContact CE2-CG2 3.94Å; F238-T395 HydrophobicContact CZ-CG2 3.93Å; C343-T395 WeakPolarHBondContact SG-CG2 3.39Å; I344-T395 CarbonylContact O-C 3.54Å; I344-T395 WeakPolarHBondContact O-CA 3.39Å; S345-T395 PolarHBondContact OG-OG1 3.41Å
396	V	95.5	Very high	94.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.9	-179.9	-168.2	0	0	0	0	109.8	V162 C343 I344 F346 L428 Y432 Y436	V162-V396 HydrophobicContact CB-CG2 4.13Å; V162-V396 HydrophobicContact CG1-CG1 4.37Å; V162-V396 HydrophobicContact CG1-CG2 4.32Å; V162-V396 CarbonylContact O-C 3.55Å; V162-V396 WeakPolarHBondContact O-CA 3Å; C343-V396 VanDerWaalsContact CA-O 3.3Å; C343-V396 WeakPolarHBondContact CA-O 3.3Å; C343-V396 PolarHBondContact SG-O 3.34Å; C343-V396 VanDerWaalsContact SG-O 3.38Å; I344-V396 PolarHBondContact N-O 3.21Å; I344-V396 PolarHBondContact O-N 2.9Å; F346-V396 HydrophobicContact CD2-CG2 3.93Å; F346-V396 HydrophobicContact CE2-CB 4.48Å; F346-V396 HydrophobicContact CE2-CG2 3.84Å; V396-L428 HydrophobicContact CG1-CD1 3.8Å; V396-L428 HydrophobicContact CG1-CG 4.4Å; V396-Y432 HydrophobicContact CG1-CD1 4.21Å; V396-Y432 HydrophobicContact CG1-CD2 3.92Å; V396-Y432 HydrophobicContact CG1-CE1 4.16Å; V396-Y432 HydrophobicContact CG1-CE2 3.89Å; V396-Y432 HydrophobicContact CG1-CG 4.09Å; V396-Y432 HydrophobicContact CG2-CD1 4.05Å; V396-Y432 HydrophobicContact CG2-CG 4.08Å; V396-Y436 HydrophobicContact CG2-CD2 3.94Å; V396-Y436 HydrophobicContact CG2-CE2 3.83Å
397	V	95.8	Very high	94.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.4	174.7	-176.3	0	0	0	0	108.9	L161 V162 I163 S164 F167 F238 F249 F300 V341	L161-V397 HydrophobicContact CD1-CG2 3.67Å; V162-V397 PolarHBondContact O-N 3.07Å; I163-V397 HydrophobicContact CD1-CB 4.04Å; I163-V397 HydrophobicContact CD1-CG2 4.26Å; S164-V397 VanDerWaalsContact CB-O 3.23Å; S164-V397 WeakPolarHBondContact CB-O 3.42Å; S164-V397 PolarHBondContact N-O 3.29Å; S164-V397 PolarHBondContact OG-O 3.36Å; F167-V397 HydrophobicContact CD2-CG1 4.31Å; F167-V397 HydrophobicContact CE2-CG1 4.41Å; F238-V397 HydrophobicContact CZ-CG2 4.35Å; F249-V397 HydrophobicContact CZ-CG1 4.3Å; F300-V397 HydrophobicContact CZ-CG1 4.2Å; V341-V397 HydrophobicContact CG1-CG1 3.61Å
398	G	95.5	Very high	95	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-77.3	166.2	177.5	0	0	0	0	0	113.1	S164 F167 V341 P342	S164-G398 WeakPolarHBondContact OG-CA 3.37Å; F167-G398 WeakPolarHBondContact CD2-O 3.27Å; V341-G398 WeakPolarHBondContact CG1-O 3.22Å; P342-G398 WeakPolarHBondContact O-CA 3.49Å; P342-G398 PolarHBondContact O-N 2.73Å
399	A	93.3	Very high	95.2	Very high	13 Å²	13	53 Å²	53	11%	0.107	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-62.1	145.6	179.7	0	0	0	0	0	112.7	E166 P342	E166-A399 HydrophobicContact CB-CB 4.01Å; P342-A399 WeakPolarHBondContact CD-O 3.45Å
400	P	96.4	Very high	95.3	Very high	9 Å²	9	53.8 Å²	53.8	6%	0.058	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-65.1	140.3	175.7	-18.4	31.9	0	0	0	112.6	F167 Y170 L214 Y220 Y339 L340 V341	F167-P400 HydrophobicContact CD2-CG 4.36Å; F167-P400 HydrophobicContact CE2-CG 4.01Å; Y170-P400 HydrophobicContact CD1-CG 4.22Å; Y170-P400 HydrophobicContact CE1-CB 4.44Å; Y170-P400 HydrophobicContact CE1-CG 4.02Å; L214-P400 HydrophobicContact CD1-CG 4.19Å; L214-P400 HydrophobicContact CD2-CG 3.87Å; Y220-P400 HydrophobicContact CD1-CB 4.35Å; Y220-P400 HydrophobicContact CD1-CG 4.37Å; Y220-P400 HydrophobicContact CE1-CB 4.01Å; Y220-P400 HydrophobicContact CE1-CG 3.91Å; Y339-P400 HydrophobicContact CD2-CB 4.16Å; L340-P400 CarbonylContact O-C 3.56Å; L340-P400 WeakPolarHBondContact O-CA 3.24Å; V341-P400 HydrophobicContact CG2-CB 4.29Å; V341-P400 HydrophobicContact CG2-CG 4.47Å
401	I	97.6	Very high	95.4	Very high	17 Å²	17	55 Å²	55	9%	0.087	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-101.6	113.9	170.4	-53.6	166.7	0	0	0	107	Y339 L340 I417 I420 Y421 K424	Y339-I401 WeakPolarHBondContact CA-O 3.35Å; L340-I401 HydrophobicContact CB-CB 4.19Å; L340-I401 PolarHBondContact N-O 3.49Å; L340-I401 PolarHBondContact O-N 2.94Å; I401-I417 HydrophobicContact CG2-CD1 3.65Å; I401-I420 HydrophobicContact CD1-CG2 4.27Å; I401-I420 HydrophobicContact CG2-CG2 4.02Å; I401-Y421 HydrophobicContact CD1-CD2 4.01Å; I401-Y421 HydrophobicContact CD1-CG 4.47Å; I401-K424 HydrophobicContact CD1-CB 4.13Å; I401-K424 HydrophobicContact CD1-CG 4.02Å; I401-K424 HydrophobicContact CG1-CG 4.28Å
402	Q	95.2	Very high	95.6	Very high	114 Å²	114	57.7 Å²	57.7	53%	0.533	29%	0.29	S	S	.	.			trans	-66.4	135.5	-179.8	-59.6	-171.9	-4.4	0	0	110.4	Y170 Y339	Y170-Q402 PolarHBondContact OH-NE2 3.22Å; Y339-Q402 HydrophobicContact CD1-CB 4.29Å; Y339-Q402 HydrophobicContact CD1-CG 4.49Å; Y339-Q402 HydrophobicContact CD2-CG 4.24Å; Y339-Q402 HydrophobicContact CE1-CB 3.93Å; Y339-Q402 HydrophobicContact CE1-CG 4.05Å; Y339-Q402 HydrophobicContact CE2-CG 3.78Å
403	C	95.1	Very high	95.8	Very high	7 Å²	7	59 Å²	59	5%	0.047	29%	0.291	C	S	.	.			trans	-123.9	118.1	176.7	-67.7	0	0	0	0	108.3	L334 G337 S338	L334-C403 HydrophobicContact CD2-CB 4.14Å; G337-C403 CarbonylContact C-O 3.48Å; G337-C403 WeakPolarHBondContact CA-O 3.44Å; S338-C403 VanDerWaalsContact O-CB 3.3Å; S338-C403 WeakPolarHBondContact O-CB 3.37Å
404	E	92.6	Very high	96	Very high	165 Å²	165	59 Å²	59	77%	0.771	29%	0.291	S	S	*	.			trans	-69.6	140.5	170.7	-66.1	-176.3	175.5	0	0	109.9	I406	E404-I406 PolarHBondContact O-N 2.93Å
405	Q	95.4	Very high	96.1	Very high	97 Å²	97	58.5 Å²	58.5	45%	0.453	30%	0.299	S	S	.	.			trans	-73.7	118.3	-178	-170.5	171	4	0	0	110.6	L334 K335	L334-Q405 CarbonylContact O-C 3.54Å; L334-Q405 VanDerWaalsContact O-CA 3.29Å; L334-Q405 WeakPolarHBondContact O-CA 3.32Å; K335-Q405 WeakPolarHBondContact O-CG 3.4Å; K335-Q405 PolarHBondContact O-NE2 3.18Å; K335-Q405 VanDerWaalsContact O-NE2 3.12Å
406	I	96.5	Very high	96.2	Very high	45 Å²	45	64.5 Å²	64.5	23%	0.231	33%	0.327	C	S	.	.			trans	-126.5	114.7	178	-53.6	171.3	0	0	0	108.1	L334 K335 E404 E408 P409	L334-I406 PolarHBondContact O-N 3.01Å; K335-I406 WeakPolarHBondContact CA-O 3.41Å; E404-I406 PolarHBondContact O-N 2.93Å; I406-E408 VanDerWaalsContact C-N 3.29Å; I406-E408 PolarHBondContact O-N 2.9Å; I406-P409 HydrophobicContact CB-CB 4.26Å; I406-P409 HydrophobicContact CG2-CB 4.16Å; I406-P409 WeakPolarHBondContact O-CD 3.24Å
407	N	93.3	Very high	96.3	Very high	124 Å²	124	65 Å²	65	66%	0.663	33%	0.33	S	S	*	.	S	Bend	trans	-58.2	-41.3	-176.9	-69.7	-26.2	0	0	0	112.7	K335	K335-N407 PolarHBondContact NZ-O 3.34Å
408	E	95.9	Very high	96.4	Very high	167 Å²	167	67 Å²	67	78%	0.78	34%	0.338	S	S	*	.	S	Bend	trans	-129.3	78.5	179.9	-62.5	-165.4	161.1	0	0	110.5	I406	I406-E408 VanDerWaalsContact C-N 3.29Å; I406-E408 PolarHBondContact O-N 2.9Å
409	P	96.9	Very high	96.5	Very high	6 Å²	6	71.2 Å²	71.2	4%	0.039	36%	0.358	C	S	.	.			trans	-71.6	136.5	-178.7	31.4	-33.7	0	0	0	109.9	K331 L334 K335 I406 V414	K331-P409 HydrophobicContact CG-CG 3.9Å; L334-P409 HydrophobicContact CB-CB 4.04Å; L334-P409 HydrophobicContact CB-CG 4.14Å; L334-P409 HydrophobicContact CD1-CB 3.82Å; L334-P409 HydrophobicContact CD1-CG 4.49Å; K335-P409 HydrophobicContact CG-CG 4.1Å; I406-P409 HydrophobicContact CB-CB 4.26Å; I406-P409 HydrophobicContact CG2-CB 4.16Å; I406-P409 WeakPolarHBondContact O-CD 3.24Å; P409-V414 HydrophobicContact CB-CG2 4.05Å; P409-V414 HydrophobicContact CG-CG2 4.13Å
410	T	97.8	Very high	96.7	Very high	71 Å²	71	72.9 Å²	72.9	44%	0.436	36%	0.364	S	S	.	.			trans	-71.7	160.6	177	69.9	0	0	0	0	110.9	E412 Q413 V414	T410-E412 PolarHBondContact O-N 2.98Å; T410-Q413 PolarHBondContact O-N 3.25Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.47Å; T410-Q413 PolarHBondContact OG1-N 3.49Å; T410-Q413 PolarHBondContact OG1-OE1 2.98Å; T410-V414 WeakPolarHBondContact O-CG2 3.23Å; T410-V414 PolarHBondContact O-N 2.95Å
411	D	97.4	Very high	96.8	Very high	106 Å²	106	72.4 Å²	72.4	57%	0.567	36%	0.361	S	S	*	.	H	α-helix	trans	-64.9	-30.1	-179.1	-67.9	-16	0	0	0	112.8	F327 V414 A415	F327-D411 HydrophobicContact CZ-CB 4.06Å; F327-D411 VanDerWaalsContact CZ-OD1 3.26Å; F327-D411 WeakPolarHBondContact CZ-OD1 3.4Å; D411-V414 PolarHBondContact O-N 3.43Å; D411-A415 VanDerWaalsContact O-CB 3.27Å; D411-A415 WeakPolarHBondContact O-CB 3.49Å; D411-A415 PolarHBondContact O-N 2.79Å
412	E	97.8	Very high	96.9	Very high	164 Å²	164	73.2 Å²	73.2	77%	0.766	36%	0.364	S	S	*	.	H	α-helix	trans	-66.3	-44.7	173.2	-65.6	177.9	177	0	0	112.1	T410 V414 A415 H416	T410-E412 PolarHBondContact O-N 2.98Å; E412-V414 VanDerWaalsContact C-N 3.33Å; E412-V414 PolarHBondContact O-N 2.9Å; E412-A415 PolarHBondContact O-N 2.92Å; E412-H416 WeakPolarHBondContact O-CB 3.49Å; E412-H416 PolarHBondContact O-N 3.19Å
413	Q	98	Very high	97	Very high	79 Å²	79	72.7 Å²	72.7	37%	0.369	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-42.4	176.2	-73	171.6	-33	0	0	111.4	L334 T410 H416 I417	L334-Q413 HydrophobicContact CD1-CB 4.36Å; T410-Q413 PolarHBondContact O-N 3.25Å; T410-Q413 WeakPolarHBondContact OG1-CG 3.47Å; T410-Q413 PolarHBondContact OG1-N 3.49Å; T410-Q413 PolarHBondContact OG1-OE1 2.98Å; Q413-H416 PolarHBondContact O-N 3.44Å; Q413-I417 PolarHBondContact O-N 3.05Å; Q413-I417 VanDerWaalsContact O-N 3.11Å
414	V	98.3	Very high	97.1	Very high	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-67.8	-39.4	176.8	-177.6	0	0	0	0	111.3	F327 F330 K331 L334 P409 T410 D411 E412 I417 K418	F327-V414 HydrophobicContact CD1-CG1 4.16Å; F327-V414 HydrophobicContact CD2-CB 4.25Å; F327-V414 HydrophobicContact CD2-CG1 3.54Å; F327-V414 HydrophobicContact CE1-CB 4.16Å; F327-V414 HydrophobicContact CE1-CG1 3.9Å; F327-V414 HydrophobicContact CE1-CG2 4.19Å; F327-V414 HydrophobicContact CE2-CB 3.42Å; F327-V414 VanDerWaalsContact CE2-CB 3.42Å; F327-V414 HydrophobicContact CE2-CG1 3.23Å; F327-V414 HydrophobicContact CE2-CG2 4.3Å; F327-V414 HydrophobicContact CG-CG1 4.01Å; F327-V414 HydrophobicContact CZ-CB 3.37Å; F327-V414 HydrophobicContact CZ-CG1 3.42Å; F327-V414 VanDerWaalsContact CZ-CG1 3.42Å; F327-V414 HydrophobicContact CZ-CG2 3.74Å; F330-V414 HydrophobicContact CB-CG1 3.71Å; K331-V414 HydrophobicContact CB-CG1 4.18Å; K331-V414 HydrophobicContact CB-CG2 4.01Å; K331-V414 HydrophobicContact CG-CG2 4.21Å; L334-V414 HydrophobicContact CD1-CG2 3.97Å; P409-V414 HydrophobicContact CB-CG2 4.05Å; P409-V414 HydrophobicContact CG-CG2 4.13Å; T410-V414 WeakPolarHBondContact O-CG2 3.23Å; T410-V414 PolarHBondContact O-N 2.95Å; D411-V414 PolarHBondContact O-N 3.43Å; E412-V414 VanDerWaalsContact C-N 3.33Å; E412-V414 PolarHBondContact O-N 2.9Å; V414-I417 WeakPolarHBondContact O-CG2 3.36Å; V414-K418 VanDerWaalsContact O-CB 3.26Å; V414-K418 WeakPolarHBondContact O-CB 3.34Å; V414-K418 PolarHBondContact O-N 3.02Å
415	A	97.7	Very high	97.4	Very high	45 Å²	45	68.4 Å²	68.4	37%	0.372	34%	0.34	S	S	.	.	H	α-helix	trans	-64.6	-40.4	176	0	0	0	0	0	111.8	D411 E412 K418 Q419	D411-A415 VanDerWaalsContact O-CB 3.27Å; D411-A415 WeakPolarHBondContact O-CB 3.49Å; D411-A415 PolarHBondContact O-N 2.79Å; E412-A415 PolarHBondContact O-N 2.92Å; A415-K418 PolarHBondContact O-N 3.46Å; A415-Q419 WeakPolarHBondContact O-CB 3.33Å; A415-Q419 PolarHBondContact O-N 2.75Å
416	H	97.8	Very high	97.5	Very high	125 Å²	125	67.3 Å²	67.3	58%	0.579	33%	0.332	S	S	*	.	H	α-helix	trans	-61.6	-51.6	177.2	-179.7	61.3	0	0	0	111.9	E412 Q413 K418 Q419 I420	E412-H416 WeakPolarHBondContact O-CB 3.49Å; E412-H416 PolarHBondContact O-N 3.19Å; Q413-H416 PolarHBondContact O-N 3.44Å; H416-K418 VanDerWaalsContact C-N 3.29Å; H416-K418 PolarHBondContact O-N 3.25Å; H416-Q419 WeakPolarHBondContact O-CB 3.19Å; H416-Q419 PolarHBondContact O-N 2.89Å; H416-Q419 VanDerWaalsContact O-N 3.08Å; H416-I420 WeakPolarHBondContact NE2-CD1 3.25Å; H416-I420 PolarHBondContact O-N 3.03Å
417	I	97.9	Very high	97.6	Very high	12 Å²	12	67.6 Å²	67.6	6%	0.062	34%	0.335	C	S	.	.	H	α-helix	trans	-65.8	-34.1	179	-164.3	64.9	0	0	0	112.1	F330 L334 L340 I401 Q413 V414 Q419 I420 Y421	F330-I417 HydrophobicContact CB-CG2 4.01Å; L334-I417 HydrophobicContact CD1-CG2 3.89Å; L334-I417 HydrophobicContact CG-CG2 4.19Å; L340-I417 HydrophobicContact CD1-CG1 3.7Å; I401-I417 HydrophobicContact CG2-CD1 3.65Å; Q413-I417 PolarHBondContact O-N 3.05Å; Q413-I417 VanDerWaalsContact O-N 3.11Å; V414-I417 WeakPolarHBondContact O-CG2 3.36Å; I417-Q419 VanDerWaalsContact C-N 3.3Å; I417-Q419 PolarHBondContact O-N 3.06Å; I417-I420 HydrophobicContact CD1-CD1 4.35Å; I417-I420 PolarHBondContact O-N 3.21Å; I417-Y421 WeakPolarHBondContact O-CB 3.33Å; I417-Y421 PolarHBondContact O-N 3.08Å
418	K	98	Very high	97.8	Very high	41 Å²	41	61.7 Å²	61.7	18%	0.178	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-40.3	172.5	178.5	172.5	74	176.7	0	111.3	N324 F330 V414 A415 H416 Y421 K422	N324-K418 PolarHBondContact O-NZ 3.01Å; F330-K418 HydrophobicContact CD1-CB 4.08Å; F330-K418 HydrophobicContact CD2-CB 3.8Å; F330-K418 HydrophobicContact CD2-CD 3.78Å; F330-K418 HydrophobicContact CD2-CG 3.74Å; F330-K418 HydrophobicContact CE1-CB 4.29Å; F330-K418 HydrophobicContact CE1-CG 4.3Å; F330-K418 HydrophobicContact CE2-CB 4.02Å; F330-K418 HydrophobicContact CE2-CD 3.64Å; F330-K418 HydrophobicContact CE2-CG 3.49Å; F330-K418 VanDerWaalsContact CE2-CG 3.49Å; F330-K418 HydrophobicContact CG-CB 3.84Å; F330-K418 HydrophobicContact CG-CG 4.26Å; F330-K418 HydrophobicContact CZ-CB 4.26Å; F330-K418 HydrophobicContact CZ-CD 4.42Å; F330-K418 HydrophobicContact CZ-CG 3.79Å; V414-K418 VanDerWaalsContact O-CB 3.26Å; V414-K418 WeakPolarHBondContact O-CB 3.34Å; V414-K418 PolarHBondContact O-N 3.02Å; A415-K418 PolarHBondContact O-N 3.46Å; H416-K418 VanDerWaalsContact C-N 3.29Å; H416-K418 PolarHBondContact O-N 3.25Å; K418-Y421 PolarHBondContact O-N 3.43Å; K418-K422 HydrophobicContact CG-CD 4.48Å; K418-K422 WeakPolarHBondContact O-CG 3.47Å; K418-K422 PolarHBondContact O-N 2.99Å
419	Q	98	Very high	97.8	Very high	89 Å²	89	53.8 Å²	53.8	42%	0.416	27%	0.267	S	S	.	.	H	α-helix	trans	-66.9	-46.1	178.5	-176.7	56.6	28.6	0	0	111.5	A415 H416 I417 Y421 K422 E423	A415-Q419 WeakPolarHBondContact O-CB 3.33Å; A415-Q419 PolarHBondContact O-N 2.75Å; H416-Q419 WeakPolarHBondContact O-CB 3.19Å; H416-Q419 PolarHBondContact O-N 2.89Å; H416-Q419 VanDerWaalsContact O-N 3.08Å; I417-Q419 VanDerWaalsContact C-N 3.3Å; I417-Q419 PolarHBondContact O-N 3.06Å; Q419-Y421 VanDerWaalsContact C-N 3.28Å; Q419-Y421 PolarHBondContact O-N 3.35Å; Q419-K422 PolarHBondContact O-N 2.95Å; Q419-K422 VanDerWaalsContact O-N 3.12Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.34Å; Q419-E423 PolarHBondContact NE2-OE1 3.35Å; Q419-E423 WeakPolarHBondContact O-CG 3.46Å; Q419-E423 PolarHBondContact O-N 3.37Å
420	I	98.2	Very high	97.8	Very high	47 Å²	47	58.4 Å²	58.4	24%	0.241	29%	0.288	C	S	.	.	H	α-helix	trans	-56.7	-44.1	173.3	-63.9	171.4	0	0	0	110.6	I401 H416 I417 K422 E423 K424	I401-I420 HydrophobicContact CD1-CG2 4.27Å; I401-I420 HydrophobicContact CG2-CG2 4.02Å; H416-I420 WeakPolarHBondContact NE2-CD1 3.25Å; H416-I420 PolarHBondContact O-N 3.03Å; I417-I420 HydrophobicContact CD1-CD1 4.35Å; I417-I420 PolarHBondContact O-N 3.21Å; I420-K422 PolarHBondContact O-N 3.44Å; I420-E423 PolarHBondContact O-N 2.95Å; I420-K424 HydrophobicContact CG2-CG 4.4Å; I420-K424 WeakPolarHBondContact O-CG 3.49Å; I420-K424 PolarHBondContact O-N 3.34Å
421	Y	98.5	Very high	97.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-60.8	-43.9	177.3	-178.7	-84.9	0	0	0	112.3	G223 H225 I323 F329 F330 L340 P342 I401 I417 K418 Q419 K424 L425	G223-Y421 VanDerWaalsContact CA-OH 3.27Å; G223-Y421 WeakPolarHBondContact CA-OH 3.4Å; G223-Y421 PolarHBondContact O-OH 3.46Å; G223-Y421 VanDerWaalsContact O-OH 3.07Å; H225-Y421 PolarHBondContact CD2-OH 3.31Å; H225-Y421 AromaticContact NE2-CE1 3.86Å; H225-Y421 AromaticContact NE2-CZ 3.87Å; H225-Y421 PolarHBondContact NE2-OH 2.95Å; I323-Y421 HydrophobicContact CD1-CE1 4.07Å; F329-Y421 HydrophobicContact CE1-CE2 4.44Å; F330-Y421 AromaticContact CE1-CD1 3.73Å; F330-Y421 HydrophobicContact CE1-CD1 3.73Å; F330-Y421 HydrophobicContact CE1-CD2 4.09Å; F330-Y421 HydrophobicContact CE1-CE1 4.43Å; F330-Y421 AromaticContact CE1-CG 3.55Å; F330-Y421 HydrophobicContact CE1-CG 3.55Å; F330-Y421 AromaticContact CZ-CD1 3.88Å; F330-Y421 HydrophobicContact CZ-CD1 3.88Å; F330-Y421 HydrophobicContact CZ-CE1 4.41Å; F330-Y421 HydrophobicContact CZ-CG 4.19Å; L340-Y421 HydrophobicContact CB-CD2 4.2Å; P342-Y421 HydrophobicContact CB-CE2 3.99Å; I401-Y421 HydrophobicContact CD1-CD2 4.01Å; I401-Y421 HydrophobicContact CD1-CG 4.47Å; I417-Y421 WeakPolarHBondContact O-CB 3.33Å; I417-Y421 PolarHBondContact O-N 3.08Å; K418-Y421 PolarHBondContact O-N 3.43Å; Q419-Y421 VanDerWaalsContact C-N 3.28Å; Q419-Y421 PolarHBondContact O-N 3.35Å; Y421-K424 PolarHBondContact O-N 3.46Å; Y421-L425 HydrophobicContact CE1-CB 4.45Å; Y421-L425 HydrophobicContact CE1-CD2 3.98Å; Y421-L425 VanDerWaalsContact O-CB 3.27Å; Y421-L425 WeakPolarHBondContact O-CB 3.32Å; Y421-L425 PolarHBondContact O-N 3.29Å
422	K	98.1	Very high	97.6	Very high	34 Å²	34	54.3 Å²	54.3	15%	0.148	26%	0.263	C	S	.	.	H	α-helix	trans	-63.4	-40.6	177.5	-74.3	177.1	65.9	171	0	112	I323 N324 K418 Q419 I420 L425 R426 F445	I323-K422 HydrophobicContact CG2-CD 4.47Å; I323-K422 HydrophobicContact CG2-CG 4.21Å; N324-K422 PolarHBondContact OD1-NZ 2.93Å; K418-K422 HydrophobicContact CG-CD 4.48Å; K418-K422 WeakPolarHBondContact O-CG 3.47Å; K418-K422 PolarHBondContact O-N 2.99Å; Q419-K422 PolarHBondContact O-N 2.95Å; Q419-K422 VanDerWaalsContact O-N 3.12Å; I420-K422 PolarHBondContact O-N 3.44Å; K422-L425 PolarHBondContact O-N 3.36Å; K422-R426 WeakPolarHBondContact O-CB 3.33Å; K422-R426 PolarHBondContact O-N 2.97Å; K422-F445 HydrophobicContact CB-CE1 4.45Å; K422-F445 HydrophobicContact CB-CE2 4.46Å; K422-F445 HydrophobicContact CB-CZ 4.27Å; K422-F445 VanDerWaalsContact CE-CG 3.46Å; K422-F445 HydrophobicContact CG-CD1 4.29Å; K422-F445 HydrophobicContact CG-CE1 4.3Å; K422-F445 WeakPolarHBondContact O-CZ 3.33Å
423	E	98.1	Very high	97.4	Very high	102 Å²	102	48.7 Å²	48.7	48%	0.477	24%	0.236	S	C	.	.	H	α-helix	trans	-63	-49.7	176.1	-72.6	164.5	-169.1	0	0	111	Q419 I420 L425 R426 T427	Q419-E423 WeakPolarHBondContact CG-OE1 3.34Å; Q419-E423 PolarHBondContact NE2-OE1 3.35Å; Q419-E423 WeakPolarHBondContact O-CG 3.46Å; Q419-E423 PolarHBondContact O-N 3.37Å; I420-E423 PolarHBondContact O-N 2.95Å; E423-L425 VanDerWaalsContact C-N 3.31Å; E423-L425 PolarHBondContact O-N 3.49Å; E423-R426 WeakPolarHBondContact O-CB 3.43Å; E423-R426 PolarHBondContact O-N 2.92Å; E423-R426 VanDerWaalsContact O-N 3.13Å; E423-T427 PolarHBondContact O-N 3.34Å; E423-T427 PolarHBondContact O-OG1 2.87Å
424	K	97.8	Very high	97.3	Very high	83 Å²	83	48.6 Å²	48.6	36%	0.361	25%	0.249	S	C	.	.	H	α-helix	trans	-61.2	-38.7	176.1	-71.3	-66.6	-177.1	-175.8	0	112.9	P342 I401 I420 Y421 L428	P342-K424 HydrophobicContact CG-CB 4.25Å; I401-K424 HydrophobicContact CD1-CB 4.13Å; I401-K424 HydrophobicContact CD1-CG 4.02Å; I401-K424 HydrophobicContact CG1-CG 4.28Å; I420-K424 HydrophobicContact CG2-CG 4.4Å; I420-K424 WeakPolarHBondContact O-CG 3.49Å; I420-K424 PolarHBondContact O-N 3.34Å; Y421-K424 PolarHBondContact O-N 3.46Å; K424-L428 VanDerWaalsContact O-CB 3.3Å; K424-L428 WeakPolarHBondContact O-CB 3.33Å; K424-L428 PolarHBondContact O-N 3.16Å
425	L	98.1	Very high	96.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-37.7	175.9	-167	68.3	0	0	0	111.6	M321 I323 P342 I344 Y421 K422 E423 F429 I443 F445	M321-L425 HydrophobicContact CG-CD2 4.47Å; I323-L425 HydrophobicContact CD1-CD2 3.46Å; I323-L425 VanDerWaalsContact CD1-CD2 3.46Å; P342-L425 HydrophobicContact CB-CB 4.33Å; P342-L425 HydrophobicContact CB-CD1 3.68Å; I344-L425 HydrophobicContact CD1-CD1 3.7Å; I344-L425 HydrophobicContact CD1-CG 4.1Å; I344-L425 WeakPolarHBondContact CD1-O 3.45Å; I344-L425 HydrophobicContact CG1-CD1 3.46Å; I344-L425 VanDerWaalsContact CG1-CD1 3.46Å; I344-L425 HydrophobicContact CG1-CG 4.31Å; Y421-L425 HydrophobicContact CE1-CB 4.45Å; Y421-L425 HydrophobicContact CE1-CD2 3.98Å; Y421-L425 VanDerWaalsContact O-CB 3.27Å; Y421-L425 WeakPolarHBondContact O-CB 3.32Å; Y421-L425 PolarHBondContact O-N 3.29Å; K422-L425 PolarHBondContact O-N 3.36Å; E423-L425 VanDerWaalsContact C-N 3.31Å; E423-L425 PolarHBondContact O-N 3.49Å; L425-F429 WeakPolarHBondContact O-CB 3.5Å; L425-F429 PolarHBondContact O-N 3.34Å; L425-I443 HydrophobicContact CD2-CD1 4.43Å; L425-I443 HydrophobicContact CG-CD1 4.33Å; L425-F445 HydrophobicContact CD2-CE1 3.8Å; L425-F445 HydrophobicContact CD2-CZ 4.47Å
426	R	98	Very high	96.7	Very high	74 Å²	74	50.7 Å²	50.7	28%	0.279	25%	0.251	S	S	.	.	H	α-helix	trans	-65.4	-47.4	174.4	176.5	173.4	-69.6	-78.8	-4.8	111.6	K422 E423 L428 F429 E430 D442 I443 F445	K422-R426 WeakPolarHBondContact O-CB 3.33Å; K422-R426 PolarHBondContact O-N 2.97Å; E423-R426 WeakPolarHBondContact O-CB 3.43Å; E423-R426 PolarHBondContact O-N 2.92Å; E423-R426 VanDerWaalsContact O-N 3.13Å; R426-L428 VanDerWaalsContact C-N 3.34Å; R426-L428 PolarHBondContact O-N 3.35Å; R426-F429 WeakPolarHBondContact O-CB 3.4Å; R426-F429 PolarHBondContact O-N 2.94Å; R426-F429 VanDerWaalsContact O-N 3.1Å; R426-E430 WeakPolarHBondContact CD-OE1 3.32Å; R426-E430 HydrophobicContact CG-CG 4.38Å; R426-E430 WeakPolarHBondContact CG-OE1 3.28Å; R426-E430 IonicContact NH1-OE1 3.47Å; R426-E430 WeakPolarHBondContact O-CG 3.39Å; R426-E430 PolarHBondContact O-N 3.35Å; R426-D442 IonicContact CZ-OD2 3.81Å; R426-D442 IonicContact NH1-OD1 2.79Å; R426-D442 IonicContact NH1-OD2 2.79Å; R426-D442 PolarHBondContact NH1-OD2 2.87Å; R426-I443 HydrophobicContact CG-CG2 4.31Å; R426-I443 PolarHBondContact NH2-O 3.49Å; R426-I443 VanDerWaalsContact NH2-O 3.13Å; R426-F445 HydrophobicContact CB-CE2 4.31Å; R426-F445 HydrophobicContact CB-CZ 4.31Å
427	T	97.6	Very high	96.5	Very high	51 Å²	51	45.7 Å²	45.7	31%	0.313	23%	0.229	S	C	.	.	H	α-helix	trans	-58.3	-47.3	175.4	-55.5	0	0	0	0	111.1	E423 F429 E430 D431	E423-T427 PolarHBondContact O-N 3.34Å; E423-T427 PolarHBondContact O-OG1 2.87Å; T427-F429 PolarHBondContact O-N 2.88Å; T427-E430 PolarHBondContact O-N 3.25Å; T427-D431 WeakPolarHBondContact O-CB 3.35Å; T427-D431 PolarHBondContact O-N 2.88Å
428	L	97.2	Very high	96.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-36.2	176.3	-170.5	68.9	0	0	0	112.1	P342 I344 V396 K424 R426 Y432	P342-L428 HydrophobicContact CB-CD2 4.35Å; I344-L428 HydrophobicContact CD1-CB 4.26Å; I344-L428 HydrophobicContact CD1-CD2 4.24Å; I344-L428 HydrophobicContact CD1-CG 4.3Å; I344-L428 HydrophobicContact CG1-CD2 4.13Å; V396-L428 HydrophobicContact CG1-CD1 3.8Å; V396-L428 HydrophobicContact CG1-CG 4.4Å; K424-L428 VanDerWaalsContact O-CB 3.3Å; K424-L428 WeakPolarHBondContact O-CB 3.33Å; K424-L428 PolarHBondContact O-N 3.16Å; R426-L428 VanDerWaalsContact C-N 3.34Å; R426-L428 PolarHBondContact O-N 3.35Å; L428-Y432 HydrophobicContact CD1-CD2 3.97Å; L428-Y432 HydrophobicContact CD1-CE2 3.93Å; L428-Y432 WeakPolarHBondContact O-CD2 2.95Å
429	F	97.7	Very high	96	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-50.9	175.5	-178.9	-105.9	0	0	0	111.5	Y319 I344 F346 L425 R426 T427 D431 Y432 K433 A440 N441 I443	Y319-F429 HydrophobicContact CD1-CD2 4.16Å; Y319-F429 AromaticContact CD1-CE2 3.58Å; Y319-F429 HydrophobicContact CD1-CE2 3.58Å; Y319-F429 HydrophobicContact CD1-CZ 4.49Å; Y319-F429 AromaticContact CD2-CE2 3.74Å; Y319-F429 HydrophobicContact CD2-CE2 3.74Å; Y319-F429 AromaticContact CD2-CZ 3.97Å; Y319-F429 HydrophobicContact CD2-CZ 3.97Å; Y319-F429 HydrophobicContact CE1-CD2 4.44Å; Y319-F429 AromaticContact CE1-CE2 3.86Å; Y319-F429 HydrophobicContact CE1-CE2 3.86Å; Y319-F429 HydrophobicContact CE2-CE2 4.04Å; Y319-F429 HydrophobicContact CE2-CZ 4.48Å; Y319-F429 HydrophobicContact CG-CD2 4.41Å; Y319-F429 AromaticContact CG-CE2 3.5Å; Y319-F429 HydrophobicContact CG-CE2 3.5Å; Y319-F429 VanDerWaalsContact CG-CE2 3.5Å; Y319-F429 AromaticContact CG-CZ 3.98Å; Y319-F429 HydrophobicContact CG-CZ 3.98Å; I344-F429 HydrophobicContact CD1-CB 3.66Å; I344-F429 HydrophobicContact CD1-CD2 4.28Å; I344-F429 HydrophobicContact CD1-CG 4.48Å; F346-F429 AromaticContact CE1-CD2 3.65Å; F346-F429 HydrophobicContact CE1-CD2 3.65Å; F346-F429 AromaticContact CE1-CE2 3.74Å; F346-F429 HydrophobicContact CE1-CE2 3.74Å; F346-F429 AromaticContact CZ-CD2 3.92Å; F346-F429 HydrophobicContact CZ-CD2 3.92Å; F346-F429 HydrophobicContact CZ-CE2 4.47Å; L425-F429 WeakPolarHBondContact O-CB 3.5Å; L425-F429 PolarHBondContact O-N 3.34Å; R426-F429 WeakPolarHBondContact O-CB 3.4Å; R426-F429 PolarHBondContact O-N 2.94Å; R426-F429 VanDerWaalsContact O-N 3.1Å; T427-F429 PolarHBondContact O-N 2.88Å; F429-D431 VanDerWaalsContact C-N 3.34Å; F429-D431 PolarHBondContact O-N 3.46Å; F429-Y432 PolarHBondContact O-N 3.45Å; F429-K433 HydrophobicContact CD1-CD 4.41Å; F429-K433 HydrophobicContact CE1-CB 4.31Å; F429-K433 HydrophobicContact CE1-CD 3.59Å; F429-K433 HydrophobicContact CE1-CG 4.29Å; F429-K433 HydrophobicContact CE2-CB 4.35Å; F429-K433 HydrophobicContact CE2-CG 4.49Å; F429-K433 HydrophobicContact CZ-CB 4.21Å; F429-K433 HydrophobicContact CZ-CD 3.68Å; F429-K433 HydrophobicContact CZ-CG 4.02Å; F429-K433 WeakPolarHBondContact O-CB 3.46Å; F429-K433 PolarHBondContact O-N 3.2Å; F429-A440 HydrophobicContact CZ-CB 4.48Å; F429-N441 WeakPolarHBondContact CZ-O 3.3Å; F429-I443 HydrophobicContact CB-CD1 4.17Å; F429-I443 HydrophobicContact CD1-CB 3.73Å; F429-I443 HydrophobicContact CD1-CG2 3.85Å; F429-I443 HydrophobicContact CE1-CB 3.91Å; F429-I443 HydrophobicContact CE1-CG2 4.34Å; F429-I443 HydrophobicContact CG-CB 4.06Å; F429-I443 HydrophobicContact CG-CD1 4.29Å; F429-I443 HydrophobicContact CG-CG2 4.36Å; F429-I443 HydrophobicContact CZ-CB 4.42Å
430	E	96.5	Very high	95.8	Very high	104 Å²	104	52.1 Å²	52.1	49%	0.486	27%	0.268	S	S	.	.	H	α-helix	trans	-60.4	-41.4	-177.8	-72.3	168.4	-175.4	0	0	112.2	R426 T427 Y432	R426-E430 WeakPolarHBondContact CD-OE1 3.32Å; R426-E430 HydrophobicContact CG-CG 4.38Å; R426-E430 WeakPolarHBondContact CG-OE1 3.28Å; R426-E430 IonicContact NH1-OE1 3.47Å; R426-E430 WeakPolarHBondContact O-CG 3.39Å; R426-E430 PolarHBondContact O-N 3.35Å; T427-E430 PolarHBondContact O-N 3.25Å; E430-Y432 VanDerWaalsContact C-N 3.29Å; E430-Y432 PolarHBondContact O-N 3.38Å
431	D	94.6	Very high	95.6	Very high	85 Å²	85	54.7 Å²	54.7	46%	0.455	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-30.6	-179.5	-77.2	-11.2	0	0	0	113.5	T427 F429	T427-D431 WeakPolarHBondContact O-CB 3.35Å; T427-D431 PolarHBondContact O-N 2.88Å; F429-D431 VanDerWaalsContact C-N 3.34Å; F429-D431 PolarHBondContact O-N 3.46Å
432	Y	95.3	Very high	95.4	Very high	5 Å²	5	58.9 Å²	58.9	2%	0.02	31%	0.305	C	S	.	.	H	α-helix	trans	-115.1	-19	-169.3	-73.5	-83	0	0	0	114.6	E25 V162 S164 K165 V396 L428 F429 E430 A434 I435 Y436	E25-Y432 WeakPolarHBondContact OE1-CE1 3.47Å; V162-Y432 HydrophobicContact CG1-CE1 4.43Å; S164-Y432 VanDerWaalsContact CA-OH 3.24Å; S164-Y432 WeakPolarHBondContact CA-OH 3.45Å; K165-Y432 PolarHBondContact N-OH 2.9Å; V396-Y432 HydrophobicContact CG1-CD1 4.21Å; V396-Y432 HydrophobicContact CG1-CD2 3.92Å; V396-Y432 HydrophobicContact CG1-CE1 4.16Å; V396-Y432 HydrophobicContact CG1-CE2 3.89Å; V396-Y432 HydrophobicContact CG1-CG 4.09Å; V396-Y432 HydrophobicContact CG2-CD1 4.05Å; V396-Y432 HydrophobicContact CG2-CG 4.08Å; L428-Y432 HydrophobicContact CD1-CD2 3.97Å; L428-Y432 HydrophobicContact CD1-CE2 3.93Å; L428-Y432 WeakPolarHBondContact O-CD2 2.95Å; F429-Y432 PolarHBondContact O-N 3.45Å; E430-Y432 VanDerWaalsContact C-N 3.29Å; E430-Y432 PolarHBondContact O-N 3.38Å; Y432-A434 PolarHBondContact O-N 3.44Å; Y432-I435 HydrophobicContact CD1-CD1 4.25Å; Y432-I435 WeakPolarHBondContact O-CB 3.32Å; Y432-I435 PolarHBondContact O-N 2.86Å; Y432-Y436 AromaticContact CD1-CD2 3.95Å; Y432-Y436 HydrophobicContact CD1-CD2 3.95Å; Y432-Y436 AromaticContact CD1-CE2 3.48Å; Y432-Y436 HydrophobicContact CD1-CE2 3.48Å; Y432-Y436 VanDerWaalsContact CD1-CE2 3.48Å; Y432-Y436 HydrophobicContact CE1-CE2 4.16Å; Y432-Y436 HydrophobicContact CG-CE2 4.4Å; Y432-Y436 PolarHBondContact O-N 3.49Å
433	K	95.2	Very high	95.2	Very high	46 Å²	46	57.5 Å²	57.5	20%	0.2	30%	0.299	C	S	.	.	H	α-helix	trans	-53.2	-53.7	177.8	173.1	-171.3	172.9	163.5	0	111.7	F346 F429 I435 Y436 D437 A440 N441	F346-K433 HydrophobicContact CE1-CB 4.11Å; F429-K433 HydrophobicContact CD1-CD 4.41Å; F429-K433 HydrophobicContact CE1-CB 4.31Å; F429-K433 HydrophobicContact CE1-CD 3.59Å; F429-K433 HydrophobicContact CE1-CG 4.29Å; F429-K433 HydrophobicContact CE2-CB 4.35Å; F429-K433 HydrophobicContact CE2-CG 4.49Å; F429-K433 HydrophobicContact CZ-CB 4.21Å; F429-K433 HydrophobicContact CZ-CD 3.68Å; F429-K433 HydrophobicContact CZ-CG 4.02Å; F429-K433 WeakPolarHBondContact O-CB 3.46Å; F429-K433 PolarHBondContact O-N 3.2Å; K433-I435 PolarHBondContact O-N 2.96Å; K433-Y436 PolarHBondContact O-N 3.48Å; K433-D437 WeakPolarHBondContact CG-O 3.37Å; K433-D437 CarbonylContact O-C 3.57Å; K433-D437 WeakPolarHBondContact O-CA 3.44Å; K433-D437 PolarHBondContact O-N 2.98Å; K433-D437 VanDerWaalsContact O-O 3.1Å; K433-A440 HydrophobicContact CD-CB 4.49Å; K433-A440 WeakPolarHBondContact CE-O 3.4Å; K433-A440 HydrophobicContact CG-CB 4.22Å; K433-A440 PolarHBondContact NZ-O 3.28Å; K433-N441 PolarHBondContact NZ-O 3.32Å
434	A	94	Very high	95.1	Very high	78 Å²	78	57.6 Å²	57.6	65%	0.645	30%	0.3	S	S	*	.	H	α-helix	trans	-61.8	-16.6	-177.8	0	0	0	0	0	113.6	Y432	Y432-A434 PolarHBondContact O-N 3.44Å
435	I	91.2	Very high	95	Very high	61 Å²	61	55.3 Å²	55.3	31%	0.313	29%	0.29	S	S	.	.	H	α-helix	trans	-93.4	-48.7	-179.5	-51.3	175.7	0	0	0	110.7	K23 Y432 K433	K23-I435 HydrophobicContact CD-CD1 4.17Å; K23-I435 VanDerWaalsContact NZ-CD1 3.29Å; Y432-I435 HydrophobicContact CD1-CD1 4.25Å; Y432-I435 WeakPolarHBondContact O-CB 3.32Å; Y432-I435 PolarHBondContact O-N 2.86Å; K433-I435 PolarHBondContact O-N 2.96Å
436	Y	92.7	Very high	94.6	Very high	28 Å²	28	57.5 Å²	57.5	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-106.2	-21.3	-167.8	-62.6	-45.1	0	0	0	114.5	E25 V162 F346 Y394 V396 Y432 K433	E25-Y436 PolarHBondContact OE2-OH 2.65Å; V162-Y436 HydrophobicContact CG1-CE2 4.32Å; V162-Y436 HydrophobicContact CG2-CE2 4.31Å; F346-Y436 HydrophobicContact CD2-CD2 4.22Å; Y394-Y436 AromaticContact CD1-CD1 3.54Å; Y394-Y436 HydrophobicContact CD1-CD1 3.54Å; Y394-Y436 AromaticContact CD1-CE1 3.38Å; Y394-Y436 HydrophobicContact CD1-CE1 3.38Å; Y394-Y436 HydrophobicContact CD1-CG 4.22Å; Y394-Y436 AromaticContact CD1-CZ 3.93Å; Y394-Y436 AromaticContact CD2-CD1 3.44Å; Y394-Y436 HydrophobicContact CD2-CD1 3.44Å; Y394-Y436 VanDerWaalsContact CD2-CD1 3.44Å; Y394-Y436 HydrophobicContact CD2-CE1 4.18Å; Y394-Y436 AromaticContact CD2-CG 3.77Å; Y394-Y436 HydrophobicContact CD2-CG 3.77Å; Y394-Y436 AromaticContact CE1-CD1 3.9Å; Y394-Y436 HydrophobicContact CE1-CD1 3.9Å; Y394-Y436 AromaticContact CE1-CE1 3.69Å; Y394-Y436 HydrophobicContact CE1-CE1 3.69Å; Y394-Y436 AromaticContact CE2-CD1 3.78Å; Y394-Y436 HydrophobicContact CE2-CD1 3.78Å; Y394-Y436 HydrophobicContact CE2-CE1 4.41Å; Y394-Y436 HydrophobicContact CE2-CG 4.5Å; Y394-Y436 AromaticContact CG-CD1 3.31Å; Y394-Y436 HydrophobicContact CG-CD1 3.31Å; Y394-Y436 HydrophobicContact CG-CD2 4.16Å; Y394-Y436 AromaticContact CG-CE1 3.67Å; Y394-Y436 HydrophobicContact CG-CE1 3.67Å; Y394-Y436 HydrophobicContact CG-CE2 4.45Å; Y394-Y436 AromaticContact CG-CG 3.6Å; Y394-Y436 HydrophobicContact CG-CG 3.6Å; V396-Y436 HydrophobicContact CG2-CD2 3.94Å; V396-Y436 HydrophobicContact CG2-CE2 3.83Å; Y432-Y436 AromaticContact CD1-CD2 3.95Å; Y432-Y436 HydrophobicContact CD1-CD2 3.95Å; Y432-Y436 AromaticContact CD1-CE2 3.48Å; Y432-Y436 HydrophobicContact CD1-CE2 3.48Å; Y432-Y436 VanDerWaalsContact CD1-CE2 3.48Å; Y432-Y436 HydrophobicContact CE1-CE2 4.16Å; Y432-Y436 HydrophobicContact CG-CE2 4.4Å; Y432-Y436 PolarHBondContact O-N 3.49Å; K433-Y436 PolarHBondContact O-N 3.48Å
437	D	94	Very high	94.5	Very high	19 Å²	19	56.7 Å²	56.7	10%	0.102	30%	0.304	C	S	.	.			trans	-151.3	71.8	173.2	-162.2	-6.3	0	0	0	111.2	Y319 F346 K433 E439 A440	Y319-D437 WeakPolarHBondContact CE2-OD2 3.24Å; Y319-D437 PolarHBondContact OH-OD2 2.94Å; Y319-D437 VanDerWaalsContact OH-OD2 3.11Å; F346-D437 HydrophobicContact CD1-CB 4.01Å; K433-D437 WeakPolarHBondContact CG-O 3.37Å; K433-D437 CarbonylContact O-C 3.57Å; K433-D437 WeakPolarHBondContact O-CA 3.44Å; K433-D437 PolarHBondContact O-N 2.98Å; K433-D437 VanDerWaalsContact O-O 3.1Å; D437-E439 PolarHBondContact O-N 3.09Å; D437-A440 HydrophobicContact CB-CB 4.06Å; D437-A440 VanDerWaalsContact O-CB 3.24Å; D437-A440 WeakPolarHBondContact O-CB 3.5Å; D437-A440 PolarHBondContact O-N 3.45Å; D437-A440 VanDerWaalsContact O-N 3.11Å
438	P	93.5	Very high	94.3	Very high	90 Å²	90	56.9 Å²	56.9	58%	0.584	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.3	-173.3	26.1	-35	0	0	0	113.6	A440	P438-A440 VanDerWaalsContact C-N 3.34Å
439	E	91.9	Very high	94.2	Very high	179 Å²	179	60.1 Å²	60.1	84%	0.836	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-3.4	178.7	-62.7	-177.9	173.2	0	0	112.7	D437	D437-E439 PolarHBondContact O-N 3.09Å
440	A	93.9	Very high	93.9	Very high	8 Å²	8	63.6 Å²	63.6	7%	0.066	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-62.6	151.2	-179.6	0	0	0	0	0	112.7	G317 Y319 F429 K433 D437 P438	G317-A440 WeakPolarHBondContact O-CA 3.43Å; Y319-A440 HydrophobicContact CD2-CB 3.86Å; Y319-A440 HydrophobicContact CE2-CB 3.49Å; Y319-A440 VanDerWaalsContact CE2-CB 3.49Å; F429-A440 HydrophobicContact CZ-CB 4.48Å; K433-A440 HydrophobicContact CD-CB 4.49Å; K433-A440 WeakPolarHBondContact CE-O 3.4Å; K433-A440 HydrophobicContact CG-CB 4.22Å; K433-A440 PolarHBondContact NZ-O 3.28Å; D437-A440 HydrophobicContact CB-CB 4.06Å; D437-A440 VanDerWaalsContact O-CB 3.24Å; D437-A440 WeakPolarHBondContact O-CB 3.5Å; D437-A440 PolarHBondContact O-N 3.45Å; D437-A440 VanDerWaalsContact O-N 3.11Å; P438-A440 VanDerWaalsContact C-N 3.34Å
441	N	93.5	Very high	93.8	Very high	101 Å²	101	61.1 Å²	61.1	54%	0.54	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-71.1	173.6	165.9	-65.3	-46.3	0	0	0	110.8	G317 F429 K433	G317-N441 PolarHBondContact O-N 3.37Å; F429-N441 WeakPolarHBondContact CZ-O 3.3Å; K433-N441 PolarHBondContact NZ-O 3.32Å
442	D	94.1	Very high	93.7	Very high	89 Å²	89	59.5 Å²	59.5	48%	0.476	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-71.3	158.8	171.6	-166.1	28.4	0	0	0	111.5	R426	R426-D442 IonicContact CZ-OD2 3.81Å; R426-D442 IonicContact NH1-OD1 2.79Å; R426-D442 IonicContact NH1-OD2 2.79Å; R426-D442 PolarHBondContact NH1-OD2 2.87Å
443	I	94.7	Very high	93.6	Very high	5 Å²	5	63.4 Å²	63.4	3%	0.026	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-70.3	126.9	178	-169.6	171.4	0	0	0	111.2	M321 L425 R426 F429 F445	M321-I443 HydrophobicContact CE-CD1 3.68Å; M321-I443 HydrophobicContact CE-CG1 4.03Å; M321-I443 HydrophobicContact CG-CD1 3.69Å; M321-I443 HydrophobicContact CG-CG1 3.63Å; L425-I443 HydrophobicContact CD2-CD1 4.43Å; L425-I443 HydrophobicContact CG-CD1 4.33Å; R426-I443 HydrophobicContact CG-CG2 4.31Å; R426-I443 PolarHBondContact NH2-O 3.49Å; R426-I443 VanDerWaalsContact NH2-O 3.13Å; F429-I443 HydrophobicContact CB-CD1 4.17Å; F429-I443 HydrophobicContact CD1-CB 3.73Å; F429-I443 HydrophobicContact CD1-CG2 3.85Å; F429-I443 HydrophobicContact CE1-CB 3.91Å; F429-I443 HydrophobicContact CE1-CG2 4.34Å; F429-I443 HydrophobicContact CG-CB 4.06Å; F429-I443 HydrophobicContact CG-CD1 4.29Å; F429-I443 HydrophobicContact CG-CG2 4.36Å; F429-I443 HydrophobicContact CZ-CB 4.42Å; I443-F445 HydrophobicContact CD1-CE1 3.82Å; I443-F445 HydrophobicContact CD1-CE2 4.48Å; I443-F445 HydrophobicContact CD1-CZ 3.68Å; I443-F445 HydrophobicContact CG1-CE1 4.23Å; I443-F445 HydrophobicContact CG1-CZ 4.12Å; I443-F445 HydrophobicContact CG2-CE2 4.26Å; I443-F445 HydrophobicContact CG2-CZ 4.39Å
444	E	95.3	Very high	93.5	Very high	103 Å²	103	64.8 Å²	64.8	48%	0.481	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.4	175.4	-171.5	-172.5	164	0	0	109.5	Y319 V320 M321 V446	Y319-E444 PolarHBondContact O-N 3.25Å; V320-E444 HydrophobicContact CG2-CB 4.49Å; M321-E444 PolarHBondContact N-O 3.02Å; E444-V446 HydrophobicContact CG-CG2 3.96Å; E444-V446 WeakPolarHBondContact OE1-CG2 3.44Å
445	F	95.2	Very high	93.5	Very high	35 Å²	35	63.7 Å²	63.7	15%	0.154	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	112.1	176.5	-65.6	-69.3	0	0	0	110.7	M321 I323 N324 K422 L425 R426 I443	M321-F445 HydrophobicContact CB-CD1 3.88Å; M321-F445 HydrophobicContact CB-CE1 4.2Å; M321-F445 HydrophobicContact CG-CD1 4.33Å; M321-F445 HydrophobicContact CG-CE1 4.25Å; I323-F445 HydrophobicContact CD1-CD1 3.94Å; I323-F445 HydrophobicContact CD1-CE1 3.93Å; N324-F445 PolarHBondContact ND2-O 3.18Å; K422-F445 HydrophobicContact CB-CE1 4.45Å; K422-F445 HydrophobicContact CB-CE2 4.46Å; K422-F445 HydrophobicContact CB-CZ 4.27Å; K422-F445 VanDerWaalsContact CE-CG 3.46Å; K422-F445 HydrophobicContact CG-CD1 4.29Å; K422-F445 HydrophobicContact CG-CE1 4.3Å; K422-F445 WeakPolarHBondContact O-CZ 3.33Å; L425-F445 HydrophobicContact CD2-CE1 3.8Å; L425-F445 HydrophobicContact CD2-CZ 4.47Å; R426-F445 HydrophobicContact CB-CE2 4.31Å; R426-F445 HydrophobicContact CB-CZ 4.31Å; I443-F445 HydrophobicContact CD1-CE1 3.82Å; I443-F445 HydrophobicContact CD1-CE2 4.48Å; I443-F445 HydrophobicContact CD1-CZ 3.68Å; I443-F445 HydrophobicContact CG1-CE1 4.23Å; I443-F445 HydrophobicContact CG1-CZ 4.12Å; I443-F445 HydrophobicContact CG2-CE2 4.26Å; I443-F445 HydrophobicContact CG2-CZ 4.39Å
446	V	91.5	Very high	93.7	Very high	46 Å²	46	63.9 Å²	63.9	28%	0.279	33%	0.332	S	S	.	.			trans	-108.7	0	-176.8	-177.2	0	0	0	0	112.8	V320 M321 H322 I323 N324 E444	V320-V446 HydrophobicContact CG1-CB 4.25Å; V320-V446 HydrophobicContact CG1-CG2 3.58Å; M321-V446 PolarHBondContact O-N 3.4Å; H322-V446 CarbonylContact C-O 3.45Å; H322-V446 WeakPolarHBondContact CA-O 3.47Å; I323-V446 PolarHBondContact N-O 3.46Å; N324-V446 VanDerWaalsContact CB-OXT 3.24Å; N324-V446 WeakPolarHBondContact CB-OXT 3.46Å; N324-V446 VanDerWaalsContact CG-C 3.48Å; N324-V446 PolarHBondContact N-O 3.01Å; N324-V446 WeakPolarHBondContact ND2-CA 3.29Å; N324-V446 PolarHBondContact ND2-OXT 3.26Å; E444-V446 HydrophobicContact CG-CG2 3.96Å; E444-V446 WeakPolarHBondContact OE1-CG2 3.44Å

Retrieved 446 of 446 residues in 406.9 ms (Link to these results)

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