A0A3Q0KBF2_SCHMA Loading...

Mab-21-like

AlphaFold DB , UniProt , Accession A0A3Q0KBF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 563 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	31.9	Very low	173 Å²	173	64 Å²	64	85%	0.852	34%	0.335	S	S	*	.				0	85.7	0	-79.5	-60.6	-167	0	0	106.6	H103 M107	M1-H103 WeakPolarHBondContact CE-NE2 3.44Å; M1-M107 HydrophobicContact CE-CE 4.18Å; M1-M107 HydrophobicContact SD-CE 4.45Å
2	D	26.8	Very low	31.7	Very low	158 Å²	158	62.5 Å²	62.5	85%	0.845	33%	0.327	S	S	*	.			trans	-70.6	141.9	-168.7	-56.3	-76.3	0	0	0	111.8	L4	D2-L4 PolarHBondContact O-N 3.39Å
3	L	29.6	Very low	31.6	Very low	154 Å²	154	59.8 Å²	59.8	81%	0.806	31%	0.312	S	S	*	.			trans	-75.8	94.1	-167.2	-68.2	164.2	0	0	0	111.1	P5 T422	L3-P5 WeakPolarHBondContact O-CD 3.38Å; L3-T422 HydrophobicContact CD2-CG2 4.5Å
4	L	28.3	Very low	31.3	Very low	89 Å²	89	58 Å²	58	47%	0.466	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-77.9	119.7	164.1	-79.9	172	0	0	0	110.4	D2 T6	D2-L4 PolarHBondContact O-N 3.39Å; L4-T6 PolarHBondContact O-N 2.84Å
5	P	28	Very low	31.2	Very low	46 Å²	46	59.1 Å²	59.1	30%	0.299	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-65.3	117.4	172.2	-18.7	32.7	0	0	0	110.3	L3 T151	L3-P5 WeakPolarHBondContact O-CD 3.38Å; P5-T151 HydrophobicContact CB-CG2 4.33Å; P5-T151 HydrophobicContact CG-CG2 4.22Å
6	T	34.4	Very low	31.3	Very low	13 Å²	13	61.4 Å²	61.4	8%	0.08	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-91.2	123.4	175	34.5	0	0	0	0	111.9	L4 Y8 R425	L4-T6 PolarHBondContact O-N 2.84Å; T6-Y8 VanDerWaalsContact CB-OH 3.26Å; T6-Y8 WeakPolarHBondContact CB-OH 3.43Å; T6-Y8 HydrophobicContact CG2-CE1 4.42Å; T6-Y8 WeakPolarHBondContact CG2-OH 3.47Å; T6-Y8 PolarHBondContact O-N 3.31Å; T6-Y8 VanDerWaalsContact OG1-CE2 3.26Å; T6-Y8 WeakPolarHBondContact OG1-CE2 3.43Å; T6-Y8 PolarHBondContact OG1-OH 3.2Å; T6-R425 PolarHBondContact OG1-NH1 3.4Å
7	L	30	Very low	31.3	Very low	43 Å²	43	64.1 Å²	64.1	23%	0.225	33%	0.327	C	S	.	.			trans	-62.1	114.1	168.8	-60.5	169.2	0	0	0	109.7	L121 V225 Y226	L7-L121 HydrophobicContact CD1-CD1 3.79Å; L7-V225 WeakPolarHBondContact CD2-O 3.39Å; L7-Y226 HydrophobicContact CD2-CD2 4.06Å; L7-Y226 HydrophobicContact CD2-CG 4.47Å
8	Y	31.4	Very low	31.2	Very low	15 Å²	15	67.1 Å²	67.1	6%	0.059	34%	0.344	C	S	.	.			trans	-129.6	156.9	169.9	-62.5	-36.4	0	0	0	111	T6 Y411 Y428 S429	T6-Y8 VanDerWaalsContact CB-OH 3.26Å; T6-Y8 WeakPolarHBondContact CB-OH 3.43Å; T6-Y8 HydrophobicContact CG2-CE1 4.42Å; T6-Y8 WeakPolarHBondContact CG2-OH 3.47Å; T6-Y8 PolarHBondContact O-N 3.31Å; T6-Y8 VanDerWaalsContact OG1-CE2 3.26Å; T6-Y8 WeakPolarHBondContact OG1-CE2 3.43Å; T6-Y8 PolarHBondContact OG1-OH 3.2Å; Y8-Y411 VanDerWaalsContact C-OH 3.25Å; Y8-Y411 PolarHBondContact O-OH 3.36Å; Y8-Y428 HydrophobicContact CD2-CD1 4.5Å; Y8-Y428 HydrophobicContact CD2-CE1 4.2Å; Y8-Y428 HydrophobicContact CE2-CD1 4.39Å; Y8-Y428 HydrophobicContact CG-CE1 4.35Å; Y8-S429 PolarHBondContact OH-OG 3.07Å
9	P	40.1	Very low	31.1	Very low	1 Å²	1	70.9 Å²	70.9	1%	0.006	37%	0.365	C	S	.	.			trans	-163.1	-173.3	137.7	44.1	-27.9	0	0	0	116	L230 R231 V232 Y411	P9-L230 VanDerWaalsContact CG-O 3.3Å; P9-L230 WeakPolarHBondContact CG-O 3.47Å; P9-R231 HydrophobicContact CB-CB 3.54Å; P9-R231 HydrophobicContact CB-CG 3.43Å; P9-R231 VanDerWaalsContact CB-CG 3.43Å; P9-R231 HydrophobicContact CG-CB 3.14Å; P9-R231 HydrophobicContact CG-CG 3.64Å; P9-V232 VanDerWaalsContact CD-O 3.26Å; P9-V232 WeakPolarHBondContact CD-O 3.37Å; P9-V232 HydrophobicContact CG-CB 4.34Å; P9-Y411 WeakPolarHBondContact CA-OH 3.48Å; P9-Y411 HydrophobicContact CB-CD2 4.16Å; P9-Y411 HydrophobicContact CB-CE1 3.94Å; P9-Y411 HydrophobicContact CB-CE2 3.58Å; P9-Y411 VanDerWaalsContact CB-CZ 3.44Å
10	H	34.5	Very low	30.9	Very low	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.384	C	S	.	.			trans	-175.6	152.8	155.4	-126.4	-76.5	0	0	0	114.3	L233 E475 Y476	H10-L233 PolarHBondContact CE1-O 3.43Å; H10-L233 VanDerWaalsContact NE2-CA 3.34Å; H10-L233 WeakPolarHBondContact NE2-CA 3.34Å; H10-L233 PolarHBondContact NE2-O 2.88Å; H10-E475 WeakPolarHBondContact CD2-CB 3.43Å; H10-E475 VanDerWaalsContact CD2-CG 3.45Å; H10-E475 WeakPolarHBondContact CD2-CG 3.35Å; H10-E475 IonicContact CD2-OE2 2.99Å; H10-E475 WeakPolarHBondContact NE2-CA 3.41Å; H10-E475 WeakPolarHBondContact NE2-CB 3.49Å; H10-E475 VanDerWaalsContact NE2-CG 3.29Å; H10-E475 WeakPolarHBondContact NE2-CG 3.44Å; H10-E475 PolarHBondContact NE2-N 2.89Å; H10-Y476 HydrophobicContact CB-CD2 3.78Å; H10-Y476 HydrophobicContact CB-CG 4.24Å; H10-Y476 PolarHBondContact CD2-N 2.96Å; H10-Y476 VanDerWaalsContact CG-N 3.28Å; H10-Y476 WeakPolarHBondContact ND1-CB 3.45Å; H10-Y476 PolarHBondContact ND1-N 3.33Å
11	R	32.8	Very low	30.8	Very low	12 Å²	12	76.1 Å²	76.1	5%	0.045	40%	0.401	C	S	.	.			trans	-163.9	151	133.5	-163.6	151.7	178.3	-152.3	-12.1	114.1	L408 Y476 H522	R11-L408 PolarHBondContact NH1-O 3.5Å; R11-Y476 HydrophobicContact CB-CD2 4.31Å; R11-Y476 HydrophobicContact CB-CE2 4.27Å; R11-Y476 WeakPolarHBondContact CD-OH 3.24Å; R11-Y476 HydrophobicContact CG-CD1 4.05Å; R11-Y476 HydrophobicContact CG-CD2 4.25Å; R11-Y476 HydrophobicContact CG-CE1 3.79Å; R11-Y476 HydrophobicContact CG-CE2 3.98Å; R11-Y476 HydrophobicContact CG-CG 4.28Å; R11-Y476 PolarHBondContact NE-OH 3.38Å; R11-H522 VanDerWaalsContact CZ-CD2 3.43Å; R11-H522 PolarHBondContact NH1-NE2 2.91Å; R11-H522 PolarHBondContact NH2-CD2 3.12Å; R11-H522 PolarHBondContact NH2-NE2 3.01Å; R11-H522 VanDerWaalsContact NH2-NE2 3.16Å
12	L	29.8	Very low	30.7	Very low	46 Å²	46	76.7 Å²	76.7	24%	0.241	40%	0.404	C	S	.	.			trans	9.1	110.3	166.4	-68.1	165.8	0	0	0	119.2	Y476 L528 I530	L12-Y476 HydrophobicContact CG-CD1 4.28Å; L12-Y476 HydrophobicContact CG-CE1 4.44Å; L12-L528 HydrophobicContact CD1-CD2 4.43Å; L12-I530 HydrophobicContact CD2-CB 4.01Å; L12-I530 WeakPolarHBondContact CD2-O 3.39Å
13	M	29.7	Very low	30.8	Very low	27 Å²	27	76.3 Å²	76.3	13%	0.133	40%	0.402	C	S	.	.			trans	-119.8	138.5	169.6	-91.6	-64.5	120.1	0	0	115.1	L233 E321 K323 Q333 Q474	M13-L233 HydrophobicContact CG-CD1 3.77Å; M13-E321 WeakPolarHBondContact CE-OE1 3.48Å; M13-K323 WeakPolarHBondContact SD-CE 3.45Å; M13-K323 PolarHBondContact SD-NZ 2.82Å; M13-Q333 VanDerWaalsContact CE-CD 3.48Å; M13-Q333 VanDerWaalsContact CE-NE2 3.33Å; M13-Q333 PolarHBondContact SD-OE1 2.81Å; M13-Q474 PolarHBondContact O-NE2 3.4Å
14	Y	28.3	Very low	30.6	Very low	35 Å²	35	74.5 Å²	74.5	14%	0.137	40%	0.401	C	S	.	.			trans	-61.5	142.5	-179.8	-83.2	-84.3	0	0	0	115.8	E390 S391 V392 K395	Y14-E390 HydrophobicContact CE2-CB 3.52Å; Y14-E390 VanDerWaalsContact CE2-O 3.24Å; Y14-E390 WeakPolarHBondContact CE2-O 3.38Å; Y14-E390 WeakPolarHBondContact OH-CB 3.42Å; Y14-E390 PolarHBondContact OH-O 3.44Å; Y14-S391 VanDerWaalsContact OH-CA 3.3Å; Y14-S391 WeakPolarHBondContact OH-CA 3.34Å; Y14-S391 PolarHBondContact OH-N 3.08Å; Y14-S391 PolarHBondContact OH-O 2.89Å; Y14-V392 HydrophobicContact CD1-CG2 4.1Å; Y14-V392 HydrophobicContact CE1-CB 4.24Å; Y14-V392 HydrophobicContact CE1-CG2 3.73Å; Y14-V392 PolarHBondContact OH-N 3.15Å; Y14-K395 HydrophobicContact CD1-CD 4.38Å; Y14-K395 VanDerWaalsContact CD1-NZ 3.31Å; Y14-K395 HydrophobicContact CE1-CD 3.68Å; Y14-K395 HydrophobicContact CE1-CG 4.38Å
15	R	30.1	Very low	30.7	Very low	75 Å²	75	77.2 Å²	77.2	28%	0.283	42%	0.415	S	S	.	.			trans	-101.9	132.2	161.2	-166.2	176.1	-173.3	129.4	3.4	110	N17	R15-N17 PolarHBondContact NE-OD1 2.99Å
16	N	32.7	Very low	30.7	Very low	96 Å²	96	84 Å²	84	51%	0.513	44%	0.443	S	S	.	.			trans	-112.8	102.4	169.4	-160.1	28.5	0	0	0	108.3	N18	N16-N18 PolarHBondContact O-N 3.27Å
17	N	29.9	Very low	30.6	Very low	106 Å²	106	90.7 Å²	90.7	57%	0.567	48%	0.476	S	S	*	.			trans	-90.6	80.9	178	-93.1	15.3	0	0	0	109.7	R15 N19	R15-N17 PolarHBondContact NE-OD1 2.99Å; N17-N19 PolarHBondContact O-N 3.35Å
18	N	30.9	Very low	30.6	Very low	118 Å²	118	96.7 Å²	96.7	63%	0.631	50%	0.502	S	S	*	.			trans	-89.2	102	168.8	-84.4	-14.8	0	0	0	109.9	N16 P20	N16-N18 PolarHBondContact O-N 3.27Å; N18-P20 WeakPolarHBondContact O-CD 3.43Å
19	N	28.9	Very low	30.4	Very low	141 Å²	141	103 Å²	103	75%	0.754	53%	0.533	S	S	*	.			trans	-91.1	112	169.8	-168.8	19.7	0	0	0	108.9	N17 N21	N17-N19 PolarHBondContact O-N 3.35Å; N19-N21 VanDerWaalsContact C-N 3.28Å; N19-N21 PolarHBondContact O-N 3.18Å
20	P	27.7	Very low	30	Very low	114 Å²	114	109.6 Å²	109.6	74%	0.74	57%	0.568	S	S	*	*			trans	-85.1	68	-174.9	35.4	-34.7	0	0	0	110.7	N18	N18-P20 WeakPolarHBondContact O-CD 3.43Å
21	N	28.9	Very low	29.7	Very low	137 Å²	137	116.2 Å²	116.2	73%	0.733	60%	0.603	S	S	*	*			trans	-169.6	93.2	167.7	-98.6	-30.2	0	0	0	111.5	N19	N19-N21 VanDerWaalsContact C-N 3.28Å; N19-N21 PolarHBondContact O-N 3.18Å
22	M	31.1	Very low	29.6	Very low	185 Å²	185	124.8 Å²	124.8	91%	0.911	64%	0.641	S	S	*	*			trans	-164.5	110	147.3	-106.4	-61.8	167.2	0	0	108
23	N	30.3	Very low	29.4	Very low	150 Å²	150	128.2 Å²	128.2	80%	0.802	66%	0.664	S	S	*	*			trans	-71.8	138.9	177.5	-76.5	-33.2	0	0	0	110.4	I25	N23-I25 PolarHBondContact O-N 3.01Å
24	S	25.1	Very low	29.4	Very low	115 Å²	115	134.7 Å²	134.7	80%	0.804	70%	0.696	S	S	*	*			trans	-58.5	123.1	168	-61.9	0	0	0	0	110.9
25	I	30.8	Very low	29.4	Very low	146 Å²	146	139.2 Å²	139.2	75%	0.749	72%	0.721	S	S	*	*			trans	-123.7	103.6	157.3	-61.8	-177.9	0	0	0	107.1	N23 I27	N23-I25 PolarHBondContact O-N 3.01Å; I25-I27 HydrophobicContact CG2-CD1 4.31Å; I25-I27 HydrophobicContact CG2-CG1 4.11Å
26	H	26.2	Very low	29.3	Very low	190 Å²	190	143.4 Å²	143.4	88%	0.88	74%	0.744	S	S	*	*			trans	-71.3	121.2	166.4	-93.8	-84.6	0	0	0	109.3
27	I	32.6	Very low	29	Very low	153 Å²	153	145.8 Å²	145.8	79%	0.785	76%	0.757	S	S	*	*			trans	-135.2	142.7	156	-61.8	-176.5	0	0	0	108.8	I25	I25-I27 HydrophobicContact CG2-CD1 4.31Å; I25-I27 HydrophobicContact CG2-CG1 4.11Å
28	H	31.7	Very low	29.1	Very low	168 Å²	168	146.7 Å²	146.7	78%	0.778	77%	0.771	S	S	*	*			trans	-71.3	167.3	-169.3	-108.5	-85.3	0	0	0	115.7
29	E	26.2	Very low	28.9	Very low	148 Å²	148	148 Å²	148	69%	0.692	78%	0.778	S	S	*	*			trans	-54	148	171.5	-54.2	138.8	116.2	0	0	114.1
30	N	31.9	Very low	29.2	Very low	140 Å²	140	150.3 Å²	150.3	75%	0.749	78%	0.784	S	S	*	*				-175.1	120.5	114	-101.8	-63.2	0	0	0	114.7
31	N	28	Very low	29.2	Very low	139 Å²	139	151.2 Å²	151.2	74%	0.743	78%	0.783	S	S	*	*			trans	31.1	116.4	134.1	-71.4	-48.7	0	0	0	122.1
32	K	31.2	Very low	29.4	Very low	192 Å²	192	152.8 Å²	152.8	84%	0.835	79%	0.791	S	S	*	*				149.6	114.8	116.3	-93.2	176.5	173.3	179.2	0	115.6
33	T	25.3	Very low	29.3	Very low	117 Å²	117	152.6 Å²	152.6	72%	0.718	79%	0.788	S	S	*	*				22	144.1	129.9	58	0	0	0	0	123
34	M	29.9	Very low	29.4	Very low	163 Å²	163	153.4 Å²	153.4	80%	0.803	79%	0.787	S	S	*	*			trans	113.9	108.8	164.7	-65	-76.6	172	0	0	110.8
35	I	27.5	Very low	29.8	Very low	131 Å²	131	154.2 Å²	154.2	67%	0.672	78%	0.782	S	S	*	*				87.3	136.1	61.2	-71.7	177.2	0	0	0	112.5
36	E	28.6	Very low	29.6	Very low	162 Å²	162	150.9 Å²	150.9	76%	0.757	78%	0.783	S	S	*	*			trans	80.2	108.2	166.5	-82.1	152.7	-143.2	0	0	121.1
37	D	25.8	Very low	29.8	Very low	147 Å²	147	150.1 Å²	150.1	79%	0.786	79%	0.785	S	S	*	*				55.3	119	121.5	-61.5	4.2	0	0	0	122.1
38	S	32.9	Very low	29.5	Very low	124 Å²	124	150.8 Å²	150.8	87%	0.867	79%	0.789	S	S	*	*				-161.4	131	121.5	5.8	0	0	0	0	112.3
39	N	27	Very low	29.3	Very low	146 Å²	146	150.6 Å²	150.6	78%	0.781	79%	0.793	S	S	*	*			trans	-71.6	143.9	171.9	-66.9	-48.8	0	0	0	111.4
40	H	34.4	Very low	29.5	Very low	190 Å²	190	149 Å²	149	88%	0.88	79%	0.794	S	S	*	*			trans	-139	127.5	138.9	-110.6	39	0	0	0	110.4
41	N	27.8	Very low	29.2	Very low	133 Å²	133	150 Å²	150	71%	0.711	79%	0.794	S	S	*	*			trans	-77.7	150.7	169.8	-58.9	-31.9	0	0	0	108.6
42	D	33.8	Very low	29.2	Very low	169 Å²	169	154 Å²	154	90%	0.904	80%	0.8	S	S	*	*			trans	-147.1	132.6	137.8	-92.9	-39.4	0	0	0	108.1
43	E	28.4	Very low	29	Very low	181 Å²	181	152.3 Å²	152.3	85%	0.846	80%	0.795	S	S	*	*			trans	-87.5	146	-176.9	-58.7	172.8	124.4	0	0	110.1
44	E	32.5	Very low	29.4	Very low	168 Å²	168	153.9 Å²	153.9	79%	0.785	79%	0.794	S	S	*	*				178.1	138.6	121.3	-100.1	-160.2	126.6	0	0	114.7
45	N	32.4	Very low	29.5	Very low	131 Å²	131	151 Å²	151	70%	0.701	79%	0.788	S	S	*	*			trans	64.6	79.5	144.1	-59.1	-28.9	0	0	0	119.7
46	G	27.1	Very low	29.6	Very low	76 Å²	76	152.3 Å²	152.3	78%	0.784	79%	0.794	S	S	*	*			trans	-73.9	-176.2	163	0	0	0	0	0	116.4
47	L	31	Very low	29.8	Very low	175 Å²	175	150.6 Å²	150.6	92%	0.916	80%	0.795	S	S	*	*			trans	-152.1	140.2	149.2	-106.8	171	0	0	0	108.2
48	L	26.4	Very low	30.1	Very low	166 Å²	166	152.9 Å²	152.9	87%	0.869	79%	0.793	S	S	*	*			trans	-69.1	139.5	-165.9	-73.9	125.7	0	0	0	113.9
49	L	27.8	Very low	29.9	Very low	165 Å²	165	154.5 Å²	154.5	86%	0.864	79%	0.793	S	S	*	*			trans	-121.4	106	163.5	-131	159	0	0	0	106.8	E51	L49-E51 PolarHBondContact O-N 3.32Å
50	T	29.9	Very low	30.3	Very low	115 Å²	115	151.4 Å²	151.4	71%	0.706	80%	0.795	S	S	*	*			trans	-68.7	128.5	-178	41.9	0	0	0	0	111.1
51	E	25.7	Very low	30.4	Very low	160 Å²	160	150.9 Å²	150.9	75%	0.748	80%	0.797	S	S	*	*			trans	-62.8	135.8	-175.9	-59.7	167.5	144.6	0	0	112.4	L49	L49-E51 PolarHBondContact O-N 3.32Å
52	Y	27.9	Very low	30.8	Very low	224 Å²	224	150.3 Å²	150.3	88%	0.878	80%	0.801	S	S	*	*			trans	-117.6	83.6	156	-95.2	-85.1	0	0	0	108.5	H54	Y52-H54 PolarHBondContact O-N 2.89Å
53	H	27.8	Very low	30.9	Very low	156 Å²	156	145.3 Å²	145.3	72%	0.722	79%	0.789	S	S	*	*			trans	-68.2	124.6	166.6	-93.4	-60.2	0	0	0	110
54	H	32.1	Very low	31.3	Very low	149 Å²	149	145.3 Å²	145.3	69%	0.69	79%	0.789	S	S	*	*			trans	-113.7	117.1	157.6	-111.5	-61.9	0	0	0	108.7	Y52	Y52-H54 PolarHBondContact O-N 2.89Å
55	P	32.4	Very low	31.4	Very low	104 Å²	104	143.5 Å²	143.5	68%	0.675	78%	0.784	S	S	*	*			trans	-82.4	134.7	-179.3	32.1	-33.2	0	0	0	111.3	V57	P55-V57 HydrophobicContact CB-CG2 4.29Å
56	I	29.2	Very low	31.7	Very low	157 Å²	157	144 Å²	144	81%	0.805	78%	0.782	S	S	*	*			trans	-91.7	121	162.9	-60.2	171.6	0	0	0	106.5	Y58	I56-Y58 HydrophobicContact CG2-CE2 4.35Å
57	V	34.4	Very low	32.2	Very low	127 Å²	127	147.1 Å²	147.1	77%	0.77	78%	0.776	S	S	*	*			trans	-131.8	134.4	175.7	-176.5	0	0	0	0	109.6	P55	P55-V57 HydrophobicContact CB-CG2 4.29Å
58	Y	31	Very low	32.5	Very low	194 Å²	194	146.2 Å²	146.2	76%	0.761	77%	0.767	S	S	*	*			trans	-96.3	144.3	179.8	-84.9	-99.3	0	0	0	112	I56	I56-Y58 HydrophobicContact CG2-CE2 4.35Å
59	D	30	Very low	33	Very low	159 Å²	159	145.3 Å²	145.3	85%	0.85	76%	0.757	S	S	*	*			trans	42.3	135	151.2	-65.9	-38.6	0	0	0	123.3
60	G	34.8	Very low	33.6	Very low	80 Å²	80	146 Å²	146	83%	0.825	76%	0.756	S	S	*	*			trans	171.2	105.7	164.3	0	0	0	0	0	114.8
61	L	35.4	Very low	34	Very low	179 Å²	179	147.9 Å²	147.9	94%	0.937	76%	0.756	S	S	*	*			trans	-67.1	169.1	-173.5	-81.1	164.4	0	0	0	116.4
62	P	37.3	Very low	34.8	Very low	122 Å²	122	149 Å²	149	79%	0.792	76%	0.761	S	S	*	*			trans	-116.9	179	-152.1	44.1	-36.8	0	0	0	116.4
63	G	36	Very low	35.3	Very low	63 Å²	63	143.1 Å²	143.1	65%	0.649	75%	0.75	S	S	*	*			trans	170.7	126.9	153.5	0	0	0	0	0	116.9
64	H	35.4	Very low	35.9	Very low	181 Å²	181	144.7 Å²	144.7	84%	0.838	76%	0.758	S	S	*	*			trans	57.6	144.9	138.8	-79.5	-51.2	0	0	0	120.6
65	L	36.6	Very low	36	Very low	131 Å²	131	145.8 Å²	145.8	69%	0.686	76%	0.763	S	S	*	*			cis	-159.6	147.8	14.5	-96.8	140.7	0	0	0	111.6
66	H	37.8	Very low	36.3	Very low	141 Å²	141	149 Å²	149	65%	0.653	77%	0.769	S	S	*	*			trans	55.6	126.7	138.9	-82	61.3	0	0	0	126.2
67	H	36.6	Very low	36.6	Very low	142 Å²	142	151 Å²	151	66%	0.657	78%	0.775	S	S	*	*				60.7	151.8	126.8	-71.8	38.5	0	0	0	119.8
68	H	38.3	Very low	36.5	Very low	156 Å²	156	153.2 Å²	153.2	72%	0.722	78%	0.777	S	S	*	*			cis	-155.3	173.1	5.1	-133.1	-24.9	0	0	0	112.2
69	H	36.3	Very low	36.5	Very low	146 Å²	146	151.9 Å²	151.9	68%	0.676	78%	0.778	S	S	*	*			trans	-42.7	151.4	173.6	-71.8	-4.2	0	0	0	118.5
70	H	39.8	Very low	36.5	Very low	180 Å²	180	152.7 Å²	152.7	83%	0.833	78%	0.776	S	S	*	*				-164.6	157.5	105.6	-109.4	65.3	0	0	0	116.6
71	H	38.6	Very low	36.4	Very low	155 Å²	155	156.5 Å²	156.5	72%	0.718	77%	0.773	S	S	*	*			trans	-68.8	158.2	-179.9	-76.8	-81.1	0	0	0	113.7
72	H	43	Very low	36.3	Very low	183 Å²	183	157.4 Å²	157.4	85%	0.847	77%	0.772	S	S	*	*				-168.5	163.2	77.5	-129.9	26.3	0	0	0	114.4
73	P	37.6	Very low	35.9	Very low	100 Å²	100	160.5 Å²	160.5	65%	0.649	78%	0.776	S	S	*	*			trans	-114.2	159.3	-169.8	41.1	-31.9	0	0	0	115.9
74	Q	40.6	Very low	35.6	Very low	189 Å²	189	166 Å²	166	88%	0.883	78%	0.784	S	S	*	*			trans	-160.6	103.7	155.5	-103.7	162.7	38	0	0	107.9
75	Q	34.5	Very low	35.6	Very low	172 Å²	172	163 Å²	163	80%	0.804	78%	0.781	S	S	*	*				44.6	100	96.6	-70.1	-163.7	10	0	0	115.8
76	H	38.2	Very low	35.6	Very low	173 Å²	173	165.4 Å²	165.4	80%	0.801	79%	0.786	S	S	*	*				172.6	107.7	122	-96.3	44.7	0	0	0	111.8
77	Q	37	Very low	35.4	Very low	199 Å²	199	165.3 Å²	165.3	93%	0.93	79%	0.789	S	S	*	*			trans	156.5	108.7	138.3	-87.5	176.2	3	0	0	110.2
78	Q	31.9	Very low	35.3	Very low	173 Å²	173	167.5 Å²	167.5	81%	0.808	80%	0.797	S	S	*	*			trans	-90	164.8	170.5	-71.8	-178.5	-13	0	0	110.6
79	Q	30.5	Very low	35.2	Very low	165 Å²	165	170.6 Å²	170.6	77%	0.771	80%	0.803	S	S	*	*			trans	69.5	84.2	162.3	-62.7	167.9	23.9	0	0	117.1
80	Q	31.3	Very low	35.2	Very low	176 Å²	176	170.5 Å²	170.5	82%	0.822	80%	0.803	S	S	*	*				-162.4	145.7	122.7	-109.7	158.9	77.9	0	0	113.5
81	Q	32.6	Very low	35	Very low	160 Å²	160	169 Å²	169	75%	0.748	80%	0.8	S	S	*	*			trans	67.7	74.9	160.6	-57.7	177.9	33.1	0	0	118.5
82	H	31.7	Very low	35.2	Very low	199 Å²	199	165.9 Å²	165.9	92%	0.921	80%	0.796	S	S	*	*			trans	-110.9	76.5	147.3	-96	29.8	0	0	0	109.2
83	Q	30	Very low	35.3	Very low	187 Å²	187	161.5 Å²	161.5	87%	0.874	79%	0.791	S	S	*	*			trans	-155.6	30.8	-178.5	-119.5	166.5	38.2	0	0	116.1
84	Q	28.4	Very low	35.9	Very low	178 Å²	178	163.7 Å²	163.7	83%	0.832	80%	0.795	S	S	*	*			trans	-133.3	128.6	162.4	-62.6	-176.7	-0.7	0	0	106.6
85	P	36.6	Very low	36.8	Very low	117 Å²	117	159.7 Å²	159.7	76%	0.76	79%	0.786	S	S	*	*	S	Bend	cis	-131.4	102.6	36.9	35.7	-16.7	0	0	0	114
86	K	37.3	Very low	38.2	Very low	183 Å²	183	155.3 Å²	155.3	80%	0.796	77%	0.768	S	S	*	*	S	Bend	trans	-117.3	-24.2	164.4	-73.6	-173.5	176.4	-179.6	0	113.8
87	L	32.5	Very low	40.2	Very low	138 Å²	138	150.2 Å²	150.2	72%	0.723	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-73	-27.6	-176.7	-116.1	159.6	0	0	0	114.3	R89 Q90	L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 3.22Å; L87-Q90 PolarHBondContact O-N 3.41Å
88	F	33.8	Very low	42.4	Very low	188 Å²	188	141.4 Å²	141.4	83%	0.825	71%	0.709	S	S	*	*	G	3₁₀ helix	trans	-73.7	-13.9	-178.1	-143.3	-93.1	0	0	0	114.1
89	R	37.7	Very low	45	Very low	221 Å²	221	136 Å²	136	83%	0.834	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-85.7	-6.6	173	-75.9	-170.4	-174.5	171	2.9	114.2	L87 S92	L87-R89 VanDerWaalsContact C-N 3.27Å; L87-R89 PolarHBondContact O-N 3.22Å; R89-S92 PolarHBondContact O-OG 2.95Å
90	Q	35.7	Very low	47.7	Very low	145 Å²	145	133.1 Å²	133.1	68%	0.678	67%	0.668	S	S	*	*	S	Bend	trans	-97.7	-4.4	-177.1	-68.7	-176.6	-81.1	0	0	113.9	L87	L87-Q90 PolarHBondContact O-N 3.41Å
91	L	35.3	Very low	50.6	Low	149 Å²	149	126.5 Å²	126.5	78%	0.78	64%	0.636	S	S	*	*	S	Bend	trans	-92	-2.7	174.1	-72.5	169.2	0	0	0	113.8	A93	L91-A93 PolarHBondContact O-N 3.02Å
92	S	43.7	Very low	53.5	Low	89 Å²	89	119 Å²	119	62%	0.622	60%	0.601	S	S	*	*			trans	-87.1	27.4	176.3	66.1	0	0	0	0	113.7	R89 I94	R89-S92 PolarHBondContact O-OG 2.95Å; S92-I94 PolarHBondContact O-N 3.26Å
93	A	44.5	Very low	56.4	Low	90 Å²	90	111.9 Å²	111.9	74%	0.744	57%	0.568	S	S	*	*			trans	-76.2	-7.9	-176.6	0	0	0	0	0	114	L91	L91-A93 PolarHBondContact O-N 3.02Å
94	I	49.8	Very low	59.4	Low	146 Å²	146	104.8 Å²	104.8	75%	0.749	54%	0.536	S	S	*	.	S	Bend	trans	-98.1	112.1	167.8	-56.5	174.8	0	0	0	106.7	S92 N96	S92-I94 PolarHBondContact O-N 3.26Å; I94-N96 PolarHBondContact O-N 3.01Å
95	P	59.8	Low	62.5	Low	105 Å²	105	96.4 Å²	96.4	68%	0.682	50%	0.497	S	S	*	.			trans	-56.5	131.3	174.1	-23.3	33.6	0	0	0	109.8	P97	P95-P97 VanDerWaalsContact O-CD 3.26Å; P95-P97 WeakPolarHBondContact O-CD 3.33Å
96	N	64	Low	65.3	Low	81 Å²	81	92.6 Å²	92.6	43%	0.433	47%	0.468	S	S	.	.			trans	-58.3	113.3	179.7	-176.8	-12	0	0	0	109	I94 I98 Y99	I94-N96 PolarHBondContact O-N 3.01Å; N96-I98 HydrophobicContact CB-CG2 4.46Å; N96-I98 VanDerWaalsContact CG-CG2 3.47Å; N96-I98 WeakPolarHBondContact ND2-CG2 3.49Å; N96-I98 PolarHBondContact O-N 3.01Å; N96-I98 WeakPolarHBondContact OD1-CB 3.38Å; N96-I98 VanDerWaalsContact OD1-CG2 3.24Å; N96-I98 WeakPolarHBondContact OD1-CG2 3.19Å; N96-I98 PolarHBondContact OD1-N 2.81Å; N96-Y99 PolarHBondContact O-N 2.89Å
97	P	79.5	Confident	68	Low	66 Å²	66	88 Å²	88	43%	0.429	45%	0.45	S	S	.	.	H	α-helix	trans	-65.9	-17.2	-169.5	27.4	-36.2	0	0	0	112.3	P95 Y99 H100 Y101	P95-P97 VanDerWaalsContact O-CD 3.26Å; P95-P97 WeakPolarHBondContact O-CD 3.33Å; P97-Y99 PolarHBondContact O-N 3.35Å; P97-H100 PolarHBondContact O-N 3.41Å; P97-Y101 HydrophobicContact CB-CD2 4.47Å; P97-Y101 HydrophobicContact CB-CE2 4.01Å; P97-Y101 WeakPolarHBondContact O-CD2 3.47Å; P97-Y101 PolarHBondContact O-N 2.84Å
98	I	84.4	Confident	70.9	Confident	13 Å²	13	86.9 Å²	86.9	7%	0.067	44%	0.439	C	S	.	.	H	α-helix	trans	-57	-35.2	176.2	-154.9	169.8	0	0	0	112.8	N96 H100 Y101 L102 P557 L560	N96-I98 HydrophobicContact CB-CG2 4.46Å; N96-I98 VanDerWaalsContact CG-CG2 3.47Å; N96-I98 WeakPolarHBondContact ND2-CG2 3.49Å; N96-I98 PolarHBondContact O-N 3.01Å; N96-I98 WeakPolarHBondContact OD1-CB 3.38Å; N96-I98 VanDerWaalsContact OD1-CG2 3.24Å; N96-I98 WeakPolarHBondContact OD1-CG2 3.19Å; N96-I98 PolarHBondContact OD1-N 2.81Å; I98-H100 VanDerWaalsContact C-N 3.35Å; I98-H100 PolarHBondContact O-N 2.76Å; I98-Y101 PolarHBondContact O-N 2.68Å; I98-L102 HydrophobicContact CG1-CD1 4.01Å; I98-L102 HydrophobicContact CG1-CG 4.19Å; I98-L102 HydrophobicContact CG2-CD1 4.37Å; I98-L102 WeakPolarHBondContact O-CB 3.3Å; I98-L102 WeakPolarHBondContact O-CG 3.33Å; I98-L102 PolarHBondContact O-N 2.96Å; I98-P557 HydrophobicContact CB-CB 4.07Å; I98-P557 HydrophobicContact CB-CG 4.43Å; I98-P557 HydrophobicContact CG1-CB 4.09Å; I98-L560 HydrophobicContact CG1-CD1 4.34Å
99	Y	85.3	Confident	73.8	Confident	59 Å²	59	81 Å²	81	23%	0.231	41%	0.412	C	S	.	.	H	α-helix	trans	-62.3	-43.9	179.2	166.8	-103.5	0	0	0	111.3	N96 P97 Y101 L102 H103 E497	N96-Y99 PolarHBondContact O-N 2.89Å; P97-Y99 PolarHBondContact O-N 3.35Å; Y99-Y101 PolarHBondContact O-N 2.82Å; Y99-L102 PolarHBondContact O-N 2.97Å; Y99-H103 WeakPolarHBondContact O-CB 3.42Å; Y99-H103 PolarHBondContact O-N 2.85Å; Y99-E497 HydrophobicContact CD2-CB 3.89Å; Y99-E497 VanDerWaalsContact CD2-O 3.28Å; Y99-E497 WeakPolarHBondContact CD2-O 3.49Å; Y99-E497 HydrophobicContact CE2-CB 3.49Å; Y99-E497 VanDerWaalsContact CE2-CB 3.49Å; Y99-E497 HydrophobicContact CE2-CG 3.83Å; Y99-E497 WeakPolarHBondContact CE2-OE1 3.37Å; Y99-E497 PolarHBondContact OH-OE1 3.09Å
100	H	88.8	Confident	76.5	Confident	105 Å²	105	70.7 Å²	70.7	49%	0.486	37%	0.373	S	S	.	.	H	α-helix	trans	-60.1	-46.9	178.1	179.6	73.3	0	0	0	111.3	P97 I98 H103 L104	P97-H100 PolarHBondContact O-N 3.41Å; I98-H100 VanDerWaalsContact C-N 3.35Å; I98-H100 PolarHBondContact O-N 2.76Å; H100-H103 PolarHBondContact O-N 3.27Å; H100-L104 WeakPolarHBondContact NE2-CD1 3.32Å; H100-L104 WeakPolarHBondContact O-CG 2.96Å; H100-L104 PolarHBondContact O-N 3.17Å
101	Y	92	Very high	79.2	Confident	38 Å²	38	65.8 Å²	65.8	15%	0.149	35%	0.35	C	S	.	.	H	α-helix	trans	-69.7	-33.7	178.6	-60.1	-63.9	0	0	0	113.1	P97 I98 Y99 L104 F105 P557 Q558 E561	P97-Y101 HydrophobicContact CB-CD2 4.47Å; P97-Y101 HydrophobicContact CB-CE2 4.01Å; P97-Y101 WeakPolarHBondContact O-CD2 3.47Å; P97-Y101 PolarHBondContact O-N 2.84Å; I98-Y101 PolarHBondContact O-N 2.68Å; Y99-Y101 PolarHBondContact O-N 2.82Å; Y101-L104 HydrophobicContact CD1-CD1 4.43Å; Y101-L104 PolarHBondContact O-N 2.98Å; Y101-F105 VanDerWaalsContact O-CB 3.32Å; Y101-F105 WeakPolarHBondContact O-CB 3.46Å; Y101-F105 PolarHBondContact O-N 3.32Å; Y101-P557 WeakPolarHBondContact CB-O 3.15Å; Y101-P557 HydrophobicContact CD2-CB 3.93Å; Y101-P557 WeakPolarHBondContact CD2-O 3.17Å; Y101-P557 HydrophobicContact CE2-CB 4.39Å; Y101-Q558 HydrophobicContact CD2-CG 4.45Å; Y101-Q558 HydrophobicContact CE1-CG 3.81Å; Y101-Q558 HydrophobicContact CE2-CG 3.64Å; Y101-Q558 WeakPolarHBondContact OH-CG 3.44Å; Y101-Q558 PolarHBondContact OH-NE2 2.68Å; Y101-Q558 VanDerWaalsContact OH-NE2 3.16Å; Y101-E561 HydrophobicContact CD1-CG 3.82Å; Y101-E561 HydrophobicContact CE1-CG 4.15Å
102	L	93	Very high	82	Confident	3 Å²	3	63.1 Å²	63.1	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-65.6	-41.2	172.8	-75	169.1	0	0	0	111.8	I98 Y99 F105 Y106 I430 L500 I504 L560	I98-L102 HydrophobicContact CG1-CD1 4.01Å; I98-L102 HydrophobicContact CG1-CG 4.19Å; I98-L102 HydrophobicContact CG2-CD1 4.37Å; I98-L102 WeakPolarHBondContact O-CB 3.3Å; I98-L102 WeakPolarHBondContact O-CG 3.33Å; I98-L102 PolarHBondContact O-N 2.96Å; Y99-L102 PolarHBondContact O-N 2.97Å; L102-F105 PolarHBondContact O-N 3.06Å; L102-Y106 WeakPolarHBondContact O-CB 3.36Å; L102-Y106 PolarHBondContact O-N 3.35Å; L102-I430 HydrophobicContact CB-CD1 4.49Å; L102-I430 HydrophobicContact CD2-CD1 4.25Å; L102-I430 HydrophobicContact CD2-CG2 4.19Å; L102-L500 HydrophobicContact CD1-CG 4.3Å; L102-I504 HydrophobicContact CD1-CD1 4.13Å; L102-I504 HydrophobicContact CD2-CD1 3.53Å; L102-I504 HydrophobicContact CG-CD1 4.48Å; L102-L560 HydrophobicContact CB-CD1 4.49Å; L102-L560 HydrophobicContact CD2-CD1 3.59Å; L102-L560 HydrophobicContact CD2-CD2 4.18Å; L102-L560 HydrophobicContact CG-CD1 3.71Å
103	H	92	Very high	84.2	Confident	48 Å²	48	60.6 Å²	60.6	22%	0.222	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-45.1	173.7	178.9	-94.1	0	0	0	111.3	M1 Y99 H100 Y106 M107	M1-H103 WeakPolarHBondContact CE-NE2 3.44Å; Y99-H103 WeakPolarHBondContact O-CB 3.42Å; Y99-H103 PolarHBondContact O-N 2.85Å; H100-H103 PolarHBondContact O-N 3.27Å; H103-Y106 PolarHBondContact O-N 3.14Å; H103-M107 WeakPolarHBondContact NE2-CE 3.34Å; H103-M107 WeakPolarHBondContact O-CG 3.4Å; H103-M107 PolarHBondContact O-N 2.77Å
104	L	92.7	Very high	86.4	Confident	39 Å²	39	58.7 Å²	58.7	20%	0.204	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-42.6	174	-73.2	179	0	0	0	112.6	H100 Y101 Y106 M107 K108	H100-L104 WeakPolarHBondContact NE2-CD1 3.32Å; H100-L104 WeakPolarHBondContact O-CG 2.96Å; H100-L104 PolarHBondContact O-N 3.17Å; Y101-L104 HydrophobicContact CD1-CD1 4.43Å; Y101-L104 PolarHBondContact O-N 2.98Å; L104-Y106 VanDerWaalsContact C-N 3.33Å; L104-M107 PolarHBondContact O-N 2.91Å; L104-K108 VanDerWaalsContact O-CB 3.29Å; L104-K108 WeakPolarHBondContact O-CB 3.09Å; L104-K108 WeakPolarHBondContact O-CG 3.13Å; L104-K108 PolarHBondContact O-N 3.08Å
105	F	94.9	Very high	88.4	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-41.1	175.6	179.8	-88.3	0	0	0	111.4	Y101 L102 R109 V110 I430 T433 L434 L560 L563	Y101-F105 VanDerWaalsContact O-CB 3.32Å; Y101-F105 WeakPolarHBondContact O-CB 3.46Å; Y101-F105 PolarHBondContact O-N 3.32Å; L102-F105 PolarHBondContact O-N 3.06Å; F105-R109 HydrophobicContact CD1-CB 4.45Å; F105-R109 HydrophobicContact CD2-CB 3.96Å; F105-R109 HydrophobicContact CD2-CG 3.6Å; F105-R109 HydrophobicContact CE1-CB 4.31Å; F105-R109 HydrophobicContact CE2-CB 3.81Å; F105-R109 HydrophobicContact CE2-CG 3.71Å; F105-R109 HydrophobicContact CG-CB 4.29Å; F105-R109 HydrophobicContact CG-CG 4.23Å; F105-R109 HydrophobicContact CZ-CB 4Å; F105-R109 HydrophobicContact CZ-CG 4.4Å; F105-R109 WeakPolarHBondContact O-CA 3.2Å; F105-R109 VanDerWaalsContact O-CB 3.3Å; F105-R109 WeakPolarHBondContact O-CB 3.48Å; F105-R109 PolarHBondContact O-N 2.8Å; F105-V110 HydrophobicContact CD1-CG2 4.08Å; F105-V110 HydrophobicContact CE1-CG2 3.95Å; F105-V110 PolarHBondContact O-N 2.7Å; F105-I430 HydrophobicContact CD1-CG1 4.34Å; F105-I430 HydrophobicContact CD1-CG2 3.91Å; F105-I430 HydrophobicContact CE1-CB 4.47Å; F105-I430 HydrophobicContact CE1-CG2 3.88Å; F105-T433 HydrophobicContact CE1-CG2 3.93Å; F105-T433 HydrophobicContact CZ-CG2 3.74Å; F105-L434 HydrophobicContact CE1-CD2 4.2Å; F105-L434 HydrophobicContact CE1-CG 4.11Å; F105-L434 HydrophobicContact CE2-CD2 3.73Å; F105-L434 HydrophobicContact CE2-CG 4.49Å; F105-L434 HydrophobicContact CZ-CD2 3.46Å; F105-L434 VanDerWaalsContact CZ-CD2 3.46Å; F105-L434 HydrophobicContact CZ-CG 3.76Å; F105-L560 HydrophobicContact CB-CB 4.31Å; F105-L560 HydrophobicContact CB-CD2 4.16Å; F105-L560 HydrophobicContact CD2-CD2 3.96Å; F105-L560 WeakPolarHBondContact CD2-O 3.46Å; F105-L560 HydrophobicContact CG-CD2 3.99Å; F105-L563 WeakPolarHBondContact CE2-O 3.28Å
106	Y	94.3	Very high	89.9	Confident	37 Å²	37	57.1 Å²	57.1	15%	0.145	27%	0.271	C	S	.	.	I	π-helix	trans	-59.8	-57.4	174.6	-169.7	-85.5	0	0	0	111.1	L102 H103 L104 K108 V110 E111 Q426 I430	L102-Y106 WeakPolarHBondContact O-CB 3.36Å; L102-Y106 PolarHBondContact O-N 3.35Å; H103-Y106 PolarHBondContact O-N 3.14Å; L104-Y106 VanDerWaalsContact C-N 3.33Å; Y106-K108 VanDerWaalsContact C-N 3.32Å; Y106-K108 PolarHBondContact O-N 3.14Å; Y106-V110 HydrophobicContact CD2-CB 4.1Å; Y106-V110 HydrophobicContact CD2-CG1 4.15Å; Y106-V110 HydrophobicContact CD2-CG2 3.97Å; Y106-V110 HydrophobicContact CE2-CB 4.43Å; Y106-V110 HydrophobicContact CE2-CG1 4Å; Y106-V110 HydrophobicContact CG-CB 4.32Å; Y106-V110 HydrophobicContact CG-CG2 4.36Å; Y106-V110 VanDerWaalsContact O-CB 3.29Å; Y106-V110 WeakPolarHBondContact O-CB 3.42Å; Y106-V110 PolarHBondContact O-N 3.04Å; Y106-E111 PolarHBondContact O-N 3.33Å; Y106-E111 VanDerWaalsContact O-N 3.15Å; Y106-Q426 HydrophobicContact CD2-CG 3.67Å; Y106-Q426 HydrophobicContact CE2-CB 4.38Å; Y106-Q426 HydrophobicContact CE2-CG 3.74Å; Y106-Q426 HydrophobicContact CG-CG 4.44Å; Y106-I430 HydrophobicContact CD2-CD1 4.32Å; Y106-I430 HydrophobicContact CD2-CG1 3.94Å
107	M	93.6	Very high	91.2	Very high	85 Å²	85	53.8 Å²	53.8	42%	0.419	25%	0.253	S	S	.	.	I	π-helix	trans	-65.1	-32.2	-175.9	-63	-57.8	162.4	0	0	113.4	M1 H103 L104 E111	M1-M107 HydrophobicContact CE-CE 4.18Å; M1-M107 HydrophobicContact SD-CE 4.45Å; H103-M107 WeakPolarHBondContact NE2-CE 3.34Å; H103-M107 WeakPolarHBondContact O-CG 3.4Å; H103-M107 PolarHBondContact O-N 2.77Å; L104-M107 PolarHBondContact O-N 2.91Å; M107-E111 WeakPolarHBondContact O-CB 3.47Å
108	K	94.2	Very high	91.7	Very high	116 Å²	116	52.6 Å²	52.6	50%	0.504	25%	0.249	S	C	.	.	I	π-helix	trans	-88.9	-55.3	179.2	-66.2	176.5	179.6	174.4	0	113	L104 Y106 T112	L104-K108 VanDerWaalsContact O-CB 3.29Å; L104-K108 WeakPolarHBondContact O-CB 3.09Å; L104-K108 WeakPolarHBondContact O-CG 3.13Å; L104-K108 PolarHBondContact O-N 3.08Å; Y106-K108 VanDerWaalsContact C-N 3.32Å; Y106-K108 PolarHBondContact O-N 3.14Å; K108-T112 VanDerWaalsContact O-CB 3.24Å; K108-T112 WeakPolarHBondContact O-CB 3.35Å; K108-T112 PolarHBondContact O-N 3.12Å; K108-T112 PolarHBondContact O-OG1 2.88Å
109	R	94.5	Very high	91.9	Very high	64 Å²	64	57.5 Å²	57.5	24%	0.242	28%	0.275	C	S	.	.	I	π-helix	trans	-90.5	-45	-168	-52.4	-59.6	-176.1	108.6	-8.1	112.2	F105 R113 T433 R437 E561 Y562 L563	F105-R109 HydrophobicContact CD1-CB 4.45Å; F105-R109 HydrophobicContact CD2-CB 3.96Å; F105-R109 HydrophobicContact CD2-CG 3.6Å; F105-R109 HydrophobicContact CE1-CB 4.31Å; F105-R109 HydrophobicContact CE2-CB 3.81Å; F105-R109 HydrophobicContact CE2-CG 3.71Å; F105-R109 HydrophobicContact CG-CB 4.29Å; F105-R109 HydrophobicContact CG-CG 4.23Å; F105-R109 HydrophobicContact CZ-CB 4Å; F105-R109 HydrophobicContact CZ-CG 4.4Å; F105-R109 WeakPolarHBondContact O-CA 3.2Å; F105-R109 VanDerWaalsContact O-CB 3.3Å; F105-R109 WeakPolarHBondContact O-CB 3.48Å; F105-R109 PolarHBondContact O-N 2.8Å; R109-R113 WeakPolarHBondContact O-CB 3.34Å; R109-R113 PolarHBondContact O-N 3.33Å; R109-T433 HydrophobicContact CB-CG2 4.03Å; R109-R437 VanDerWaalsContact NH1-CZ 3.34Å; R109-E561 PolarHBondContact NH2-O 2.9Å; R109-Y562 PolarHBondContact NH1-O 2.78Å; R109-Y562 PolarHBondContact NH2-O 2.76Å; R109-L563 PolarHBondContact NH1-O 3.01Å
110	V	94.1	Very high	92.3	Very high	4 Å²	4	55.2 Å²	55.2	2%	0.024	27%	0.267	C	S	.	.	I	π-helix	trans	-67.6	-43.8	179.6	-177.1	0	0	0	0	110.3	F105 Y106 R113 R114 I430 T433	F105-V110 HydrophobicContact CD1-CG2 4.08Å; F105-V110 HydrophobicContact CE1-CG2 3.95Å; F105-V110 PolarHBondContact O-N 2.7Å; Y106-V110 HydrophobicContact CD2-CB 4.1Å; Y106-V110 HydrophobicContact CD2-CG1 4.15Å; Y106-V110 HydrophobicContact CD2-CG2 3.97Å; Y106-V110 HydrophobicContact CE2-CB 4.43Å; Y106-V110 HydrophobicContact CE2-CG1 4Å; Y106-V110 HydrophobicContact CG-CB 4.32Å; Y106-V110 HydrophobicContact CG-CG2 4.36Å; Y106-V110 VanDerWaalsContact O-CB 3.29Å; Y106-V110 WeakPolarHBondContact O-CB 3.42Å; Y106-V110 PolarHBondContact O-N 3.04Å; V110-R113 WeakPolarHBondContact O-CB 3.4Å; V110-R113 PolarHBondContact O-N 3.36Å; V110-R114 WeakPolarHBondContact O-CG 3.44Å; V110-R114 PolarHBondContact O-N 3.45Å; V110-I430 HydrophobicContact CG2-CG1 4.21Å; V110-T433 HydrophobicContact CG2-CG2 4.21Å
111	E	92.9	Very high	92.4	Very high	43 Å²	43	50.4 Å²	50.4	20%	0.201	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-41.6	179.2	-159.7	56.4	-131.2	0	0	112.8	Y106 M107 R113 R114 I115	Y106-E111 PolarHBondContact O-N 3.33Å; Y106-E111 VanDerWaalsContact O-N 3.15Å; M107-E111 WeakPolarHBondContact O-CB 3.47Å; E111-R113 VanDerWaalsContact C-N 3.26Å; E111-R113 PolarHBondContact O-N 3.37Å; E111-R114 WeakPolarHBondContact O-CB 3.34Å; E111-R114 PolarHBondContact O-N 3.28Å; E111-R114 VanDerWaalsContact O-N 3.09Å; E111-R114 IonicContact OE1-CZ 2.71Å; E111-R114 VanDerWaalsContact OE1-CZ 3.27Å; E111-R114 IonicContact OE1-NE 2.67Å; E111-R114 PolarHBondContact OE1-NE 3.48Å; E111-R114 IonicContact OE1-NH1 2.75Å; E111-R114 PolarHBondContact OE1-NH1 3.07Å; E111-R114 IonicContact OE1-NH2 3.83Å; E111-R114 VanDerWaalsContact OE2-CD 3.3Å; E111-R114 WeakPolarHBondContact OE2-CD 3.48Å; E111-R114 IonicContact OE2-CZ 2.64Å; E111-R114 IonicContact OE2-NE 3.35Å; E111-R114 IonicContact OE2-NH1 3.97Å; E111-R114 PolarHBondContact OE2-NH1 2.99Å; E111-I115 HydrophobicContact CG-CD1 4.19Å; E111-I115 WeakPolarHBondContact O-CG1 3.4Å; E111-I115 PolarHBondContact O-N 2.95Å
112	T	93.4	Very high	92.4	Very high	93 Å²	93	54.7 Å²	54.7	57%	0.571	27%	0.267	S	S	*	.	H	α-helix	trans	-57.6	-40.7	172.3	-63.5	0	0	0	0	111.7	K108 K116	K108-T112 VanDerWaalsContact O-CB 3.24Å; K108-T112 WeakPolarHBondContact O-CB 3.35Å; K108-T112 PolarHBondContact O-N 3.12Å; K108-T112 PolarHBondContact O-OG1 2.88Å; T112-K116 WeakPolarHBondContact O-CB 3.24Å; T112-K116 PolarHBondContact O-N 3.47Å; T112-K116 VanDerWaalsContact O-N 3.09Å
113	R	91.5	Very high	92.3	Very high	35 Å²	35	57.7 Å²	57.7	13%	0.132	28%	0.28	C	S	.	.	H	α-helix	trans	-61.1	-47	174.3	-178.4	-171.5	-173.9	-94.1	-2.7	111.2	R109 V110 E111 K116 I117 T433 D436 E475	R109-R113 WeakPolarHBondContact O-CB 3.34Å; R109-R113 PolarHBondContact O-N 3.33Å; V110-R113 WeakPolarHBondContact O-CB 3.4Å; V110-R113 PolarHBondContact O-N 3.36Å; E111-R113 VanDerWaalsContact C-N 3.26Å; E111-R113 PolarHBondContact O-N 3.37Å; R113-K116 PolarHBondContact O-N 3.19Å; R113-I117 HydrophobicContact CG-CD1 3.79Å; R113-I117 WeakPolarHBondContact O-CB 3.27Å; R113-I117 VanDerWaalsContact O-CG1 3.32Å; R113-I117 WeakPolarHBondContact O-CG1 3.49Å; R113-I117 PolarHBondContact O-N 3.18Å; R113-T433 HydrophobicContact CB-CG2 4.5Å; R113-T433 WeakPolarHBondContact CD-OG1 3.3Å; R113-D436 IonicContact CZ-OD2 3.95Å; R113-D436 IonicContact NE-OD2 3.49Å; R113-D436 PolarHBondContact NE-OD2 3.24Å; R113-D436 IonicContact NH2-OD1 3.97Å; R113-D436 IonicContact NH2-OD2 2.72Å; R113-D436 PolarHBondContact NH2-OD2 2.84Å; R113-E475 IonicContact CZ-OE1 3.7Å; R113-E475 IonicContact NH1-OE1 2.85Å; R113-E475 PolarHBondContact NH1-OE1 3.07Å; R113-E475 IonicContact NH2-OE1 2.76Å; R113-E475 PolarHBondContact NH2-OE1 3.12Å
114	R	90.2	Very high	92.5	Very high	50 Å²	50	55.4 Å²	55.4	19%	0.189	27%	0.27	C	S	.	.	H	α-helix	trans	-58.2	-50.6	177.5	-73.9	174.2	58	-178.2	8.4	112.3	V110 E111 K116 I117 A118	V110-R114 WeakPolarHBondContact O-CG 3.44Å; V110-R114 PolarHBondContact O-N 3.45Å; E111-R114 WeakPolarHBondContact O-CB 3.34Å; E111-R114 PolarHBondContact O-N 3.28Å; E111-R114 VanDerWaalsContact O-N 3.09Å; E111-R114 IonicContact OE1-CZ 2.71Å; E111-R114 VanDerWaalsContact OE1-CZ 3.27Å; E111-R114 IonicContact OE1-NE 2.67Å; E111-R114 PolarHBondContact OE1-NE 3.48Å; E111-R114 IonicContact OE1-NH1 2.75Å; E111-R114 PolarHBondContact OE1-NH1 3.07Å; E111-R114 IonicContact OE1-NH2 3.83Å; E111-R114 VanDerWaalsContact OE2-CD 3.3Å; E111-R114 WeakPolarHBondContact OE2-CD 3.48Å; E111-R114 IonicContact OE2-CZ 2.64Å; E111-R114 IonicContact OE2-NE 3.35Å; E111-R114 IonicContact OE2-NH1 3.97Å; E111-R114 PolarHBondContact OE2-NH1 2.99Å; R114-K116 VanDerWaalsContact C-N 3.35Å; R114-K116 PolarHBondContact O-N 3.08Å; R114-I117 PolarHBondContact O-N 2.87Å; R114-A118 WeakPolarHBondContact O-CB 3.23Å; R114-A118 PolarHBondContact O-N 3.13Å
115	I	90.5	Very high	92.5	Very high	93 Å²	93	53.8 Å²	53.8	48%	0.477	26%	0.261	S	S	.	.	H	α-helix	trans	-60.1	-45.8	-179	-66.3	166	0	0	0	110.5	E111 I117 A118 N119	E111-I115 HydrophobicContact CG-CD1 4.19Å; E111-I115 WeakPolarHBondContact O-CG1 3.4Å; E111-I115 PolarHBondContact O-N 2.95Å; I115-I117 VanDerWaalsContact C-N 3.35Å; I115-I117 PolarHBondContact O-N 3.31Å; I115-A118 PolarHBondContact O-N 2.83Å; I115-N119 VanDerWaalsContact O-CG 3.28Å; I115-N119 PolarHBondContact O-N 2.75Å; I115-N119 PolarHBondContact O-OD1 3.26Å
116	K	91.6	Very high	92.4	Very high	125 Å²	125	58.5 Å²	58.5	54%	0.543	28%	0.284	S	S	.	.	H	α-helix	trans	-58.6	-45.3	176.5	-176.7	-178.4	176.1	-173.1	0	112	T112 R113 R114 T120	T112-K116 WeakPolarHBondContact O-CB 3.24Å; T112-K116 PolarHBondContact O-N 3.47Å; T112-K116 VanDerWaalsContact O-N 3.09Å; R113-K116 PolarHBondContact O-N 3.19Å; R114-K116 VanDerWaalsContact C-N 3.35Å; R114-K116 PolarHBondContact O-N 3.08Å; K116-T120 PolarHBondContact O-N 3.43Å; K116-T120 VanDerWaalsContact O-N 3.15Å; K116-T120 PolarHBondContact O-OG1 3.45Å; K116-T120 VanDerWaalsContact O-OG1 3.1Å
117	I	91.2	Very high	92.5	Very high	12 Å²	12	56.8 Å²	56.8	6%	0.062	28%	0.277	C	S	.	.	H	α-helix	trans	-66.1	-44.1	178.7	-71.6	170	0	0	0	111	R113 R114 I115 N119 T120 L121 V232 F238	R113-I117 HydrophobicContact CG-CD1 3.79Å; R113-I117 WeakPolarHBondContact O-CB 3.27Å; R113-I117 VanDerWaalsContact O-CG1 3.32Å; R113-I117 WeakPolarHBondContact O-CG1 3.49Å; R113-I117 PolarHBondContact O-N 3.18Å; R114-I117 PolarHBondContact O-N 2.87Å; I115-I117 VanDerWaalsContact C-N 3.35Å; I115-I117 PolarHBondContact O-N 3.31Å; I117-N119 VanDerWaalsContact C-N 3.34Å; I117-N119 PolarHBondContact O-N 2.81Å; I117-T120 PolarHBondContact O-N 3.47Å; I117-L121 HydrophobicContact CG2-CD1 3.93Å; I117-L121 HydrophobicContact CG2-CG 4.17Å; I117-L121 WeakPolarHBondContact O-CB 3.41Å; I117-L121 WeakPolarHBondContact O-CG 3.28Å; I117-L121 PolarHBondContact O-N 3.2Å; I117-V232 HydrophobicContact CD1-CG1 4.19Å; I117-V232 HydrophobicContact CG2-CG1 3.93Å; I117-V232 HydrophobicContact CG2-CG2 3.79Å; I117-F238 HydrophobicContact CG2-CE1 4.42Å
118	A	89.6	Confident	92.6	Very high	41 Å²	41	52.7 Å²	52.7	34%	0.339	26%	0.257	S	S	.	.	H	α-helix	trans	-59.4	-43.4	178.3	0	0	0	0	0	112.2	R114 I115 T120 L121 H122	R114-A118 WeakPolarHBondContact O-CB 3.23Å; R114-A118 PolarHBondContact O-N 3.13Å; I115-A118 PolarHBondContact O-N 2.83Å; A118-T120 PolarHBondContact O-N 2.81Å; A118-L121 PolarHBondContact O-N 3.36Å; A118-H122 PolarHBondContact O-N 3.44Å
119	N	90.6	Very high	92.7	Very high	115 Å²	115	50.9 Å²	50.9	62%	0.615	25%	0.25	S	C	*	.	H	α-helix	trans	-62.9	-41.8	175.7	-67.2	-8.4	0	0	0	112	I115 I117	I115-N119 VanDerWaalsContact O-CG 3.28Å; I115-N119 PolarHBondContact O-N 2.75Å; I115-N119 PolarHBondContact O-OD1 3.26Å; I117-N119 VanDerWaalsContact C-N 3.34Å; I117-N119 PolarHBondContact O-N 2.81Å
120	T	92.1	Very high	92.7	Very high	11 Å²	11	50.5 Å²	50.5	7%	0.067	25%	0.251	C	S	.	.	H	α-helix	trans	-66.9	-38.5	175.5	-60.2	0	0	0	0	112.4	K116 I117 A118 H122 E123 I124 F238 Y330	K116-T120 PolarHBondContact O-N 3.43Å; K116-T120 VanDerWaalsContact O-N 3.15Å; K116-T120 PolarHBondContact O-OG1 3.45Å; K116-T120 VanDerWaalsContact O-OG1 3.1Å; I117-T120 PolarHBondContact O-N 3.47Å; A118-T120 PolarHBondContact O-N 2.81Å; T120-H122 VanDerWaalsContact C-N 3.34Å; T120-H122 PolarHBondContact O-N 2.82Å; T120-E123 PolarHBondContact O-N 3.28Å; T120-I124 HydrophobicContact CG2-CD1 3.71Å; T120-I124 HydrophobicContact CG2-CG1 4.37Å; T120-I124 WeakPolarHBondContact O-CG1 3.21Å; T120-I124 PolarHBondContact O-N 3.08Å; T120-F238 HydrophobicContact CG2-CE2 3.89Å; T120-F238 HydrophobicContact CG2-CZ 3.67Å; T120-Y330 HydrophobicContact CG2-CD1 3.99Å; T120-Y330 HydrophobicContact CG2-CD2 4.23Å; T120-Y330 HydrophobicContact CG2-CE1 3.61Å; T120-Y330 HydrophobicContact CG2-CE2 3.86Å; T120-Y330 HydrophobicContact CG2-CG 4.28Å
121	L	92.1	Very high	92.8	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-62.8	-38.5	179.4	-80	176.8	0	0	0	112.6	L7 I117 A118 E123 I124 I125 L230 V232 F238	L7-L121 HydrophobicContact CD1-CD1 3.79Å; I117-L121 HydrophobicContact CG2-CD1 3.93Å; I117-L121 HydrophobicContact CG2-CG 4.17Å; I117-L121 WeakPolarHBondContact O-CB 3.41Å; I117-L121 WeakPolarHBondContact O-CG 3.28Å; I117-L121 PolarHBondContact O-N 3.2Å; A118-L121 PolarHBondContact O-N 3.36Å; L121-E123 VanDerWaalsContact C-N 3.33Å; L121-E123 PolarHBondContact O-N 2.86Å; L121-I124 PolarHBondContact O-N 3Å; L121-I125 HydrophobicContact CB-CD1 4.19Å; L121-I125 VanDerWaalsContact O-CB 3.28Å; L121-I125 WeakPolarHBondContact O-CB 3.35Å; L121-I125 VanDerWaalsContact O-CD1 3.28Å; L121-I125 WeakPolarHBondContact O-CD1 3.27Å; L121-I125 WeakPolarHBondContact O-CG1 3.46Å; L121-I125 PolarHBondContact O-N 3.07Å; L121-L230 HydrophobicContact CD1-CD2 4.18Å; L121-L230 HydrophobicContact CD2-CD1 4.12Å; L121-L230 HydrophobicContact CD2-CD2 3.98Å; L121-L230 HydrophobicContact CD2-CG 4.3Å; L121-V232 HydrophobicContact CD1-CG2 3.74Å; L121-V232 HydrophobicContact CD2-CG2 4.1Å; L121-V232 HydrophobicContact CG-CG2 4.28Å; L121-F238 HydrophobicContact CD2-CD1 3.43Å; L121-F238 VanDerWaalsContact CD2-CD1 3.43Å; L121-F238 HydrophobicContact CD2-CE1 3.62Å; L121-F238 HydrophobicContact CD2-CG 4.37Å; L121-F238 HydrophobicContact CG-CD1 4.38Å; L121-F238 HydrophobicContact CG-CE1 4.09Å
122	H	90.4	Very high	93	Very high	129 Å²	129	48.2 Å²	48.2	60%	0.597	24%	0.24	S	C	*	.	H	α-helix	trans	-56.5	-46.7	180	-172.3	69.2	0	0	0	112.3	A118 T120 Q126	A118-H122 PolarHBondContact O-N 3.44Å; T120-H122 VanDerWaalsContact C-N 3.34Å; T120-H122 PolarHBondContact O-N 2.82Å; H122-Q126 PolarHBondContact O-N 3.29Å
123	E	92.8	Very high	93.2	Very high	65 Å²	65	48.9 Å²	48.9	30%	0.304	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-48.4	175.1	175.8	176.6	-138.4	0	0	112	T120 L121 I125 Q126 I127 H327	T120-E123 PolarHBondContact O-N 3.28Å; L121-E123 VanDerWaalsContact C-N 3.33Å; L121-E123 PolarHBondContact O-N 2.86Å; E123-I125 VanDerWaalsContact C-N 3.29Å; E123-I125 PolarHBondContact O-N 3.27Å; E123-Q126 PolarHBondContact O-N 3.05Å; E123-I127 HydrophobicContact CG-CD1 3.98Å; E123-I127 WeakPolarHBondContact O-CG1 3.35Å; E123-I127 PolarHBondContact O-N 3.35Å; E123-I127 VanDerWaalsContact O-N 3.12Å; E123-H327 IonicContact OE1-CD2 3.47Å; E123-H327 PolarHBondContact OE1-CD2 3.43Å; E123-H327 IonicContact OE1-CE1 3.26Å; E123-H327 IonicContact OE1-NE2 2.84Å; E123-H327 PolarHBondContact OE1-NE2 3.36Å; E123-H327 IonicContact OE2-CD2 3.98Å; E123-H327 IonicContact OE2-NE2 3.79Å
124	I	94.2	Very high	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63	-37	-177.8	-69	-178.9	0	0	0	111.8	T120 L121 A128 F238 I326 Y330 L332	T120-I124 HydrophobicContact CG2-CD1 3.71Å; T120-I124 HydrophobicContact CG2-CG1 4.37Å; T120-I124 WeakPolarHBondContact O-CG1 3.21Å; T120-I124 PolarHBondContact O-N 3.08Å; L121-I124 PolarHBondContact O-N 3Å; I124-A128 VanDerWaalsContact O-CB 3.31Å; I124-A128 WeakPolarHBondContact O-CB 3.47Å; I124-A128 PolarHBondContact O-N 2.91Å; I124-F238 HydrophobicContact CD1-CD1 4.4Å; I124-F238 HydrophobicContact CD1-CD2 3.18Å; I124-F238 HydrophobicContact CD1-CE1 4.47Å; I124-F238 HydrophobicContact CD1-CE2 3.27Å; I124-F238 HydrophobicContact CD1-CG 3.79Å; I124-F238 HydrophobicContact CD1-CZ 3.95Å; I124-I326 HydrophobicContact CG1-CD1 4.16Å; I124-I326 HydrophobicContact CG2-CD1 4.37Å; I124-Y330 HydrophobicContact CD1-CD2 4.3Å; I124-Y330 HydrophobicContact CD1-CG 4.19Å; I124-L332 HydrophobicContact CG2-CB 4.24Å; I124-L332 HydrophobicContact CG2-CD1 4.06Å; I124-L332 HydrophobicContact CG2-CD2 3.86Å; I124-L332 HydrophobicContact CG2-CG 4.26Å
125	I	93.5	Very high	93.8	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-67.3	-45.4	178.1	-73.7	164.4	0	0	0	111.2	L121 E123 I127 A128 Q129 L146 Y227 L230	L121-I125 HydrophobicContact CB-CD1 4.19Å; L121-I125 VanDerWaalsContact O-CB 3.28Å; L121-I125 WeakPolarHBondContact O-CB 3.35Å; L121-I125 VanDerWaalsContact O-CD1 3.28Å; L121-I125 WeakPolarHBondContact O-CD1 3.27Å; L121-I125 WeakPolarHBondContact O-CG1 3.46Å; L121-I125 PolarHBondContact O-N 3.07Å; E123-I125 VanDerWaalsContact C-N 3.29Å; E123-I125 PolarHBondContact O-N 3.27Å; I125-I127 VanDerWaalsContact C-N 3.33Å; I125-I127 PolarHBondContact O-N 2.81Å; I125-A128 PolarHBondContact O-N 3Å; I125-Q129 HydrophobicContact CG2-CG 4.46Å; I125-Q129 WeakPolarHBondContact O-CB 3.29Å; I125-Q129 WeakPolarHBondContact O-CG 3.36Å; I125-Q129 PolarHBondContact O-N 2.85Å; I125-L146 HydrophobicContact CB-CD2 4.29Å; I125-L146 HydrophobicContact CG1-CD2 4.22Å; I125-L146 HydrophobicContact CG2-CD2 3.65Å; I125-Y227 HydrophobicContact CD1-CD1 4.46Å; I125-Y227 HydrophobicContact CD1-CD2 3.57Å; I125-Y227 HydrophobicContact CD1-CE1 4.37Å; I125-Y227 HydrophobicContact CD1-CE2 3.47Å; I125-Y227 VanDerWaalsContact CD1-CE2 3.47Å; I125-Y227 HydrophobicContact CD1-CG 4.07Å; I125-Y227 HydrophobicContact CG2-CD1 4.31Å; I125-Y227 HydrophobicContact CG2-CE1 3.71Å; I125-L230 HydrophobicContact CD1-CD2 3.67Å; I125-L230 HydrophobicContact CG1-CD1 4.42Å; I125-L230 HydrophobicContact CG1-CD2 4.19Å
126	Q	93.6	Very high	94	Very high	102 Å²	102	45.2 Å²	45.2	48%	0.477	22%	0.221	S	C	.	.	H	α-helix	trans	-59.5	-45.6	177.4	-172.9	-178.3	-5	0	0	111.1	H122 E123 Q129 E130 Y309	H122-Q126 PolarHBondContact O-N 3.29Å; E123-Q126 PolarHBondContact O-N 3.05Å; Q126-Q129 PolarHBondContact O-N 3.46Å; Q126-E130 PolarHBondContact O-N 3.11Å; Q126-E130 VanDerWaalsContact O-N 3.16Å; Q126-Y309 VanDerWaalsContact CD-OH 3.23Å; Q126-Y309 WeakPolarHBondContact CG-OH 3.27Å; Q126-Y309 PolarHBondContact NE2-OH 3.13Å; Q126-Y309 VanDerWaalsContact NE2-OH 3.07Å
127	I	95.7	Very high	94.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-45.6	175.7	-67.8	169.6	0	0	0	111.1	E123 I125 Q129 E130 I131 Y309 I312 V313 I326	E123-I127 HydrophobicContact CG-CD1 3.98Å; E123-I127 WeakPolarHBondContact O-CG1 3.35Å; E123-I127 PolarHBondContact O-N 3.35Å; E123-I127 VanDerWaalsContact O-N 3.12Å; I125-I127 VanDerWaalsContact C-N 3.33Å; I125-I127 PolarHBondContact O-N 2.81Å; I127-Q129 PolarHBondContact O-N 3.09Å; I127-E130 PolarHBondContact O-N 2.7Å; I127-I131 HydrophobicContact CG2-CD1 3.76Å; I127-I131 WeakPolarHBondContact O-CG1 3.31Å; I127-I131 PolarHBondContact O-N 3.47Å; I127-I131 VanDerWaalsContact O-N 3.11Å; I127-Y309 HydrophobicContact CB-CD2 4.28Å; I127-Y309 HydrophobicContact CB-CE2 4.39Å; I127-Y309 HydrophobicContact CD1-CD1 4.4Å; I127-Y309 HydrophobicContact CG1-CD1 3.91Å; I127-Y309 HydrophobicContact CG1-CD2 3.89Å; I127-Y309 HydrophobicContact CG1-CE1 3.9Å; I127-Y309 HydrophobicContact CG1-CE2 3.89Å; I127-Y309 HydrophobicContact CG1-CG 3.89Å; I127-Y309 HydrophobicContact CG2-CD2 4.32Å; I127-Y309 HydrophobicContact CG2-CG 4.49Å; I127-I312 HydrophobicContact CD1-CD1 4Å; I127-V313 HydrophobicContact CG2-CG2 3.6Å; I127-I326 HydrophobicContact CD1-CD1 4.37Å; I127-I326 HydrophobicContact CD1-CG2 3.63Å; I127-I326 HydrophobicContact CG2-CD1 4.22Å
128	A	96.5	Very high	94.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-38.9	179.7	0	0	0	0	0	112.7	I124 I125 L132 I240 L332	I124-A128 VanDerWaalsContact O-CB 3.31Å; I124-A128 WeakPolarHBondContact O-CB 3.47Å; I124-A128 PolarHBondContact O-N 2.91Å; I125-A128 PolarHBondContact O-N 3Å; A128-L132 VanDerWaalsContact O-CB 3.28Å; A128-L132 WeakPolarHBondContact O-CB 3.43Å; A128-L132 VanDerWaalsContact O-CG 3.27Å; A128-L132 WeakPolarHBondContact O-CG 3.43Å; A128-L132 PolarHBondContact O-N 3.44Å; A128-I240 HydrophobicContact CB-CD1 3.32Å; A128-L332 HydrophobicContact CB-CD2 3.8Å
129	Q	94.8	Very high	94.8	Very high	77 Å²	77	45.6 Å²	45.6	36%	0.36	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-43.2	178	-76	176.1	-27	0	0	111.9	I125 Q126 I127 H133 L146	I125-Q129 HydrophobicContact CG2-CG 4.46Å; I125-Q129 WeakPolarHBondContact O-CB 3.29Å; I125-Q129 WeakPolarHBondContact O-CG 3.36Å; I125-Q129 PolarHBondContact O-N 2.85Å; Q126-Q129 PolarHBondContact O-N 3.46Å; I127-Q129 PolarHBondContact O-N 3.09Å; Q129-H133 WeakPolarHBondContact O-CB 3.33Å; Q129-H133 PolarHBondContact O-N 3.07Å; Q129-L146 HydrophobicContact CG-CD2 3.89Å; Q129-L146 PolarHBondContact NE2-O 3.37Å
130	E	95.2	Very high	95	Very high	56 Å²	56	44.6 Å²	44.6	26%	0.262	22%	0.22	S	C	.	.	H	α-helix	trans	-63	-47.1	175.5	-166.6	-167.6	108.2	0	0	111.5	Q126 I127 L132 H133 E134 S307 T308 Y309	Q126-E130 PolarHBondContact O-N 3.11Å; Q126-E130 VanDerWaalsContact O-N 3.16Å; I127-E130 PolarHBondContact O-N 2.7Å; E130-L132 PolarHBondContact O-N 3.28Å; E130-H133 PolarHBondContact O-N 2.54Å; E130-E134 PolarHBondContact O-N 3.16Å; E130-S307 WeakPolarHBondContact OE1-CA 3.32Å; E130-S307 VanDerWaalsContact OE1-CB 3.23Å; E130-S307 WeakPolarHBondContact OE1-CB 3.3Å; E130-S307 PolarHBondContact OE1-OG 2.8Å; E130-T308 PolarHBondContact OE1-N 2.58Å; E130-T308 PolarHBondContact OE1-OG1 3.07Å; E130-T308 WeakPolarHBondContact OE2-CG2 3.44Å; E130-T308 PolarHBondContact OE2-OG1 3.18Å; E130-Y309 HydrophobicContact CB-CD2 4.37Å; E130-Y309 HydrophobicContact CB-CE2 4.12Å; E130-Y309 VanDerWaalsContact OE2-CE2 3.24Å; E130-Y309 WeakPolarHBondContact OE2-CE2 3.39Å
131	I	97.1	Very high	95.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-43	-179.7	-69.4	171.2	0	0	0	111.3	I127 E134 V135 I300 A303 I304 V313 L324	I127-I131 HydrophobicContact CG2-CD1 3.76Å; I127-I131 WeakPolarHBondContact O-CG1 3.31Å; I127-I131 PolarHBondContact O-N 3.47Å; I127-I131 VanDerWaalsContact O-N 3.11Å; I131-E134 PolarHBondContact O-N 2.9Å; I131-V135 WeakPolarHBondContact O-CG2 3.45Å; I131-V135 PolarHBondContact O-N 3.3Å; I131-V135 VanDerWaalsContact O-N 3.07Å; I131-I300 HydrophobicContact CG2-CD1 3.69Å; I131-I300 HydrophobicContact CG2-CG2 4.18Å; I131-A303 HydrophobicContact CG2-CB 4.25Å; I131-I304 HydrophobicContact CD1-CG1 4.08Å; I131-I304 HydrophobicContact CG1-CG1 4.49Å; I131-V313 HydrophobicContact CD1-CG1 3.99Å; I131-V313 HydrophobicContact CD1-CG2 4.43Å; I131-L324 HydrophobicContact CD1-CD1 3.82Å
132	L	97.1	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-35.7	177	-74.7	171.6	0	0	0	112.1	A128 E130 V135 E136 L242 F296 I300 I334	A128-L132 VanDerWaalsContact O-CB 3.28Å; A128-L132 WeakPolarHBondContact O-CB 3.43Å; A128-L132 VanDerWaalsContact O-CG 3.27Å; A128-L132 WeakPolarHBondContact O-CG 3.43Å; A128-L132 PolarHBondContact O-N 3.44Å; E130-L132 PolarHBondContact O-N 3.28Å; L132-V135 PolarHBondContact O-N 3.38Å; L132-E136 WeakPolarHBondContact O-CB 3.37Å; L132-E136 PolarHBondContact O-N 2.95Å; L132-L242 HydrophobicContact CD1-CD1 4.34Å; L132-L242 HydrophobicContact CD2-CD1 4.09Å; L132-L242 HydrophobicContact CD2-CD2 4.03Å; L132-F296 HydrophobicContact CD2-CE2 4.24Å; L132-F296 HydrophobicContact CD2-CZ 4Å; L132-I300 HydrophobicContact CD2-CD1 4.43Å; L132-I334 HydrophobicContact CD2-CG2 4.34Å; L132-I334 HydrophobicContact CG-CD1 4.48Å
133	H	95.8	Very high	95.5	Very high	107 Å²	107	42.4 Å²	42.4	50%	0.495	21%	0.211	S	C	.	.	H	α-helix	trans	-62.7	-45.3	174.8	-176.6	56.5	0	0	0	111.7	Q129 E130 V135 E136 L137	Q129-H133 WeakPolarHBondContact O-CB 3.33Å; Q129-H133 PolarHBondContact O-N 3.07Å; E130-H133 PolarHBondContact O-N 2.54Å; H133-V135 VanDerWaalsContact C-N 3.27Å; H133-V135 PolarHBondContact O-N 3.33Å; H133-E136 WeakPolarHBondContact O-CB 3.28Å; H133-E136 PolarHBondContact O-N 2.96Å; H133-E136 VanDerWaalsContact O-N 3.12Å; H133-L137 WeakPolarHBondContact O-CG 3.3Å; H133-L137 PolarHBondContact O-N 3.16Å
134	E	96.7	Very high	95.3	Very high	41 Å²	41	40.5 Å²	40.5	19%	0.192	21%	0.205	C	C	.	.	H	α-helix	trans	-68.2	-24.5	175.9	-179.9	59.3	-134.3	0	0	112.9	E130 I131 Q138 A303 K306	E130-E134 PolarHBondContact O-N 3.16Å; I131-E134 PolarHBondContact O-N 2.9Å; E134-Q138 WeakPolarHBondContact O-CG 3.46Å; E134-Q138 PolarHBondContact O-NE2 3.46Å; E134-Q138 PolarHBondContact OE1-NE2 3.13Å; E134-A303 HydrophobicContact CB-CB 3.91Å; E134-A303 HydrophobicContact CG-CB 3.74Å; E134-K306 VanDerWaalsContact CD-CD 3.4Å; E134-K306 HydrophobicContact CG-CB 4.18Å; E134-K306 HydrophobicContact CG-CD 3.91Å; E134-K306 WeakPolarHBondContact OE1-CD 3.45Å; E134-K306 WeakPolarHBondContact OE1-CE 3.45Å; E134-K306 IonicContact OE1-NZ 3.59Å; E134-K306 PolarHBondContact OE1-NZ 3.43Å
135	V	97.6	Very high	95.1	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-70.1	-45.4	166.7	168.6	0	0	0	0	111.4	I131 L132 H133 L137 Q138 E139 F142 F296 L299 I300 A303	I131-V135 WeakPolarHBondContact O-CG2 3.45Å; I131-V135 PolarHBondContact O-N 3.3Å; I131-V135 VanDerWaalsContact O-N 3.07Å; L132-V135 PolarHBondContact O-N 3.38Å; H133-V135 VanDerWaalsContact C-N 3.27Å; H133-V135 PolarHBondContact O-N 3.33Å; V135-L137 VanDerWaalsContact C-N 3.32Å; V135-L137 PolarHBondContact O-N 3.39Å; V135-Q138 PolarHBondContact O-N 3.31Å; V135-E139 PolarHBondContact O-N 3.45Å; V135-F142 HydrophobicContact CG1-CB 3.82Å; V135-F142 HydrophobicContact CG1-CD2 4.4Å; V135-F142 HydrophobicContact CG1-CG 4.39Å; V135-F296 HydrophobicContact CG1-CD2 4.38Å; V135-F296 HydrophobicContact CG1-CE2 4.14Å; V135-L299 HydrophobicContact CG1-CB 4.01Å; V135-L299 HydrophobicContact CG1-CD1 4.31Å; V135-L299 HydrophobicContact CG2-CB 4.08Å; V135-I300 HydrophobicContact CG2-CD1 3.63Å; V135-I300 HydrophobicContact CG2-CG1 4Å; V135-A303 HydrophobicContact CG2-CB 3.73Å
136	E	96.6	Very high	94.7	Very high	60 Å²	60	42.1 Å²	42.1	28%	0.28	22%	0.215	S	C	.	.	H	α-helix	trans	-61.5	-38.3	-179.8	-168.5	175.9	149.6	0	0	112	L132 H133 Q138 E139 P140 V143 S144	L132-E136 WeakPolarHBondContact O-CB 3.37Å; L132-E136 PolarHBondContact O-N 2.95Å; H133-E136 WeakPolarHBondContact O-CB 3.28Å; H133-E136 PolarHBondContact O-N 2.96Å; H133-E136 VanDerWaalsContact O-N 3.12Å; E136-Q138 PolarHBondContact O-N 3.21Å; E136-E139 CarbonylContact O-C 3.35Å; E136-E139 PolarHBondContact O-N 2.74Å; E136-P140 WeakPolarHBondContact O-CA 3.47Å; E136-V143 WeakPolarHBondContact OE2-CA 3.11Å; E136-S144 PolarHBondContact OE2-N 3.48Å
137	L	96.2	Very high	94	Very high	110 Å²	110	44.4 Å²	44.4	58%	0.576	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-26.9	172.6	-70.2	177.8	0	0	0	113.7	H133 V135	H133-L137 WeakPolarHBondContact O-CG 3.3Å; H133-L137 PolarHBondContact O-N 3.16Å; V135-L137 VanDerWaalsContact C-N 3.32Å; V135-L137 PolarHBondContact O-N 3.39Å
138	Q	95.5	Very high	93.1	Very high	57 Å²	57	47.7 Å²	47.7	27%	0.266	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-24.1	-179.5	-67.1	175.6	101.2	0	0	113	E134 V135 E136 L299	E134-Q138 WeakPolarHBondContact O-CG 3.46Å; E134-Q138 PolarHBondContact O-NE2 3.46Å; E134-Q138 PolarHBondContact OE1-NE2 3.13Å; V135-Q138 PolarHBondContact O-N 3.31Å; E136-Q138 PolarHBondContact O-N 3.21Å; Q138-L299 HydrophobicContact CB-CD2 4.02Å
139	E	96.3	Very high	91.7	Very high	19 Å²	19	52.1 Å²	52.1	9%	0.089	27%	0.265	C	S	.	.			trans	-152	87.6	-177	-175.2	64	-104.3	0	0	109.7	V135 E136 R141 F142 R295 L299	V135-E139 PolarHBondContact O-N 3.45Å; E136-E139 CarbonylContact O-C 3.35Å; E136-E139 PolarHBondContact O-N 2.74Å; E139-R141 PolarHBondContact O-N 2.87Å; E139-R141 IonicContact OE1-CZ 2.84Å; E139-R141 VanDerWaalsContact OE1-CZ 3.22Å; E139-R141 IonicContact OE1-NE 3.74Å; E139-R141 PolarHBondContact OE1-NE 3.49Å; E139-R141 IonicContact OE1-NH2 3.93Å; E139-R141 PolarHBondContact OE1-NH2 2.9Å; E139-R141 IonicContact OE2-NH2 2.66Å; E139-R141 PolarHBondContact OE2-NH2 3.11Å; E139-R141 VanDerWaalsContact OE2-NH2 3.09Å; E139-F142 HydrophobicContact CB-CD2 3.99Å; E139-F142 HydrophobicContact CG-CD2 3.4Å; E139-F142 VanDerWaalsContact CG-CD2 3.4Å; E139-F142 HydrophobicContact CG-CE2 3.72Å; E139-F142 PolarHBondContact O-N 3.22Å; E139-R295 IonicContact OE2-CZ 3.34Å; E139-R295 IonicContact OE2-NE 3.52Å; E139-R295 IonicContact OE2-NH2 2.67Å; E139-R295 PolarHBondContact OE2-NH2 3.46Å; E139-L299 HydrophobicContact CB-CD1 3.62Å; E139-L299 HydrophobicContact CB-CD2 4.13Å; E139-L299 HydrophobicContact CG-CD1 3.84Å
140	P	95.4	Very high	89.6	Confident	93 Å²	93	54 Å²	54	60%	0.604	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-1.7	-173	-26.6	35.8	0	0	0	116.1	E136 V143	E136-P140 WeakPolarHBondContact O-CA 3.47Å; P140-V143 WeakPolarHBondContact O-CG2 3.27Å
141	R	95.1	Very high	87.5	Confident	43 Å²	43	55 Å²	55	16%	0.162	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-19.9	174.2	-66.1	178.4	-72.2	166.3	2	113.1	E139 V143 L276 W277 E279	E139-R141 PolarHBondContact O-N 2.87Å; E139-R141 IonicContact OE1-CZ 2.84Å; E139-R141 VanDerWaalsContact OE1-CZ 3.22Å; E139-R141 IonicContact OE1-NE 3.74Å; E139-R141 PolarHBondContact OE1-NE 3.49Å; E139-R141 IonicContact OE1-NH2 3.93Å; E139-R141 PolarHBondContact OE1-NH2 2.9Å; E139-R141 IonicContact OE2-NH2 2.66Å; E139-R141 PolarHBondContact OE2-NH2 3.11Å; E139-R141 VanDerWaalsContact OE2-NH2 3.09Å; R141-V143 PolarHBondContact O-N 2.84Å; R141-L276 WeakPolarHBondContact CD-O 3.46Å; R141-L276 HydrophobicContact CG-CD1 3.86Å; R141-L276 HydrophobicContact CG-CD2 4.25Å; R141-L276 HydrophobicContact CG-CG 3.99Å; R141-L276 PolarHBondContact NH1-O 2.93Å; R141-W277 HydrophobicContact CB-CH2 4.01Å; R141-W277 HydrophobicContact CB-CZ3 4Å; R141-E279 IonicContact CZ-OE1 3.2Å; R141-E279 VanDerWaalsContact NH1-CD 3.27Å; R141-E279 IonicContact NH1-OE1 3.12Å; R141-E279 PolarHBondContact NH1-OE1 3.22Å; R141-E279 IonicContact NH1-OE2 2.97Å; R141-E279 PolarHBondContact NH1-OE2 3.21Å; R141-E279 IonicContact NH2-OE1 2.88Å; R141-E279 PolarHBondContact NH2-OE1 3.28Å
142	F	95.8	Very high	84.6	Confident	1 Å²	1	60 Å²	60	0%	0.004	31%	0.314	C	S	.	.	S	Bend	trans	-96.9	59.9	175.7	-68	-69.3	0	0	0	111.1	V135 E139 L242 L244 W277 I292 R295 F296 L299	V135-F142 HydrophobicContact CG1-CB 3.82Å; V135-F142 HydrophobicContact CG1-CD2 4.4Å; V135-F142 HydrophobicContact CG1-CG 4.39Å; E139-F142 HydrophobicContact CB-CD2 3.99Å; E139-F142 HydrophobicContact CG-CD2 3.4Å; E139-F142 VanDerWaalsContact CG-CD2 3.4Å; E139-F142 HydrophobicContact CG-CE2 3.72Å; E139-F142 PolarHBondContact O-N 3.22Å; F142-L242 HydrophobicContact CB-CD2 4.35Å; F142-L242 HydrophobicContact CD1-CD2 4.06Å; F142-L244 HydrophobicContact CD1-CD2 3.55Å; F142-L244 HydrophobicContact CE1-CD2 3.71Å; F142-W277 HydrophobicContact CE1-CZ3 4.49Å; F142-I292 HydrophobicContact CE1-CG2 4.15Å; F142-I292 HydrophobicContact CZ-CG2 4.27Å; F142-R295 HydrophobicContact CE2-CG 4.43Å; F142-F296 HydrophobicContact CB-CD2 4.46Å; F142-F296 HydrophobicContact CB-CE2 4.44Å; F142-F296 AromaticContact CD1-CD2 3.65Å; F142-F296 HydrophobicContact CD1-CD2 3.65Å; F142-F296 HydrophobicContact CD1-CE2 4.15Å; F142-F296 HydrophobicContact CD1-CG 4.45Å; F142-F296 HydrophobicContact CD2-CD2 4.23Å; F142-F296 HydrophobicContact CE1-CB 4.1Å; F142-F296 AromaticContact CE1-CD2 3.85Å; F142-F296 HydrophobicContact CE1-CD2 3.85Å; F142-F296 HydrophobicContact CE1-CG 4.24Å; F142-F296 HydrophobicContact CE2-CD2 4.42Å; F142-F296 AromaticContact CG-CD2 3.87Å; F142-F296 HydrophobicContact CG-CD2 3.87Å; F142-F296 HydrophobicContact CG-CE2 4.3Å; F142-F296 HydrophobicContact CZ-CB 4.01Å; F142-F296 HydrophobicContact CZ-CD2 4.24Å; F142-L299 HydrophobicContact CD2-CD1 3.67Å; F142-L299 HydrophobicContact CE2-CD1 3.64Å
143	V	93	Very high	81.5	Confident	54 Å²	54	65.5 Å²	65.5	33%	0.327	34%	0.343	S	S	.	.			trans	-65.7	134.7	179.1	-178.7	0	0	0	0	110.8	E136 P140 R141 T145 L242	E136-V143 WeakPolarHBondContact OE2-CA 3.11Å; P140-V143 WeakPolarHBondContact O-CG2 3.27Å; R141-V143 PolarHBondContact O-N 2.84Å; V143-T145 PolarHBondContact O-N 3.36Å; V143-L242 WeakPolarHBondContact O-CD1 3.42Å
144	S	90.6	Very high	78.5	Confident	26 Å²	26	68 Å²	68	18%	0.182	36%	0.36	C	S	.	.			trans	-65.7	114.9	176.6	-172.6	0	0	0	0	112	E136	E136-S144 PolarHBondContact OE2-N 3.48Å
145	T	88.6	Confident	75.5	Confident	32 Å²	32	73.4 Å²	73.4	20%	0.196	39%	0.39	C	S	.	.			trans	-91.7	4	176.6	60.4	0	0	0	0	114	V143 K147 Y243	V143-T145 PolarHBondContact O-N 3.36Å; T145-K147 VanDerWaalsContact C-N 3.3Å; T145-K147 PolarHBondContact O-N 3.13Å; T145-Y243 WeakPolarHBondContact CG2-O 3.4Å; T145-Y243 PolarHBondContact OG1-N 3.19Å; T145-Y243 VanDerWaalsContact OG1-N 3.08Å
146	L	85.3	Confident	72.3	Confident	7 Å²	7	81.2 Å²	81.2	4%	0.037	43%	0.426	C	S	.	.			trans	-78.2	77.3	-174.1	-160.8	99.6	0	0	0	111.8	I125 Q129 Y227 I240	I125-L146 HydrophobicContact CB-CD2 4.29Å; I125-L146 HydrophobicContact CG1-CD2 4.22Å; I125-L146 HydrophobicContact CG2-CD2 3.65Å; Q129-L146 HydrophobicContact CG-CD2 3.89Å; Q129-L146 PolarHBondContact NE2-O 3.37Å; L146-Y227 HydrophobicContact CD2-CD1 3.94Å; L146-Y227 HydrophobicContact CD2-CE1 4.39Å; L146-Y227 HydrophobicContact CG-CD1 3.96Å; L146-I240 HydrophobicContact CD1-CB 4.31Å; L146-I240 HydrophobicContact CD1-CD1 3.81Å; L146-I240 HydrophobicContact CD1-CG1 3.73Å; L146-I240 HydrophobicContact CD1-CG2 3.63Å
147	K	78.2	Confident	69.2	Low	149 Å²	149	87.2 Å²	87.2	65%	0.648	45%	0.454	S	S	*	.			trans	-105.7	146.6	-178.5	-63.4	-178.4	-178.5	179.7	0	111.4	T145 M149 Y227 D228	T145-K147 VanDerWaalsContact C-N 3.3Å; T145-K147 PolarHBondContact O-N 3.13Å; K147-M149 PolarHBondContact O-N 3.05Å; K147-Y227 WeakPolarHBondContact O-CA 3.42Å; K147-D228 PolarHBondContact O-N 3.48Å
148	V	77.7	Confident	66.1	Low	69 Å²	69	91.5 Å²	91.5	42%	0.418	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	128.3	168.8	175	0	0	0	0	109.4	V225 Y226 Y227	V148-V225 HydrophobicContact CB-CG1 4.1Å; V148-V225 HydrophobicContact CG1-CG1 3.54Å; V148-V225 HydrophobicContact CG2-CG1 3.51Å; V148-Y226 CarbonylContact C-O 3.55Å; V148-Y226 WeakPolarHBondContact CA-O 3.39Å; V148-Y227 HydrophobicContact CG2-CD1 4.25Å; V148-Y227 HydrophobicContact CG2-CE1 3.61Å; V148-Y227 HydrophobicContact CG2-CE2 4.37Å
149	M	66.5	Low	63	Low	94 Å²	94	99.7 Å²	99.7	46%	0.463	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	114.2	167.9	-64.3	-175.1	65.4	0	0	109.4	K147 T151 Y226 D228	K147-M149 PolarHBondContact O-N 3.05Å; M149-T151 PolarHBondContact O-N 3.08Å; M149-Y226 HydrophobicContact CB-CD1 3.91Å; M149-Y226 HydrophobicContact CG-CD1 3.91Å; M149-Y226 HydrophobicContact CG-CE1 4.41Å; M149-Y226 PolarHBondContact N-O 3.42Å; M149-Y226 HydrophobicContact SD-CD1 3.51Å; M149-Y226 VanDerWaalsContact SD-CD1 3.51Å; M149-Y226 HydrophobicContact SD-CE1 3.46Å; M149-Y226 WeakPolarHBondContact SD-CE1 3.11Å; M149-D228 HydrophobicContact CG-CB 4.14Å; M149-D228 HydrophobicContact SD-CB 3.81Å
150	N	52.3	Low	59.9	Low	117 Å²	117	107.6 Å²	107.6	63%	0.626	53%	0.534	S	S	*	.			trans	-71.8	115.9	168.6	-70	-8.2	0	0	0	108.7	N152	N150-N152 PolarHBondContact O-N 2.92Å
151	T	51.3	Low	57.2	Low	75 Å²	75	112.5 Å²	112.5	46%	0.46	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	0.2	-176.1	47.3	0	0	0	0	114.9	P5 M149	P5-T151 HydrophobicContact CB-CG2 4.33Å; P5-T151 HydrophobicContact CG-CG2 4.22Å; M149-T151 PolarHBondContact O-N 3.08Å
152	N	35	Very low	54.2	Low	107 Å²	107	118.4 Å²	118.4	57%	0.572	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-13.2	-171.9	-64	11.6	0	0	0	113.7	N150 N154	N150-N152 PolarHBondContact O-N 2.92Å; N152-N154 VanDerWaalsContact C-N 3.3Å; N152-N154 PolarHBondContact O-N 3.17Å; N152-N154 VanDerWaalsContact O-N 3.13Å
153	N	31.9	Very low	51.5	Low	115 Å²	115	125.9 Å²	125.9	62%	0.615	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	9.4	-164.6	-75	27.1	0	0	0	116.6
154	N	32.9	Very low	48.8	Very low	159 Å²	159	129.4 Å²	129.4	85%	0.85	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.6	12.4	-177.9	-84.9	-17.7	0	0	0	114.9	N152	N152-N154 VanDerWaalsContact C-N 3.3Å; N152-N154 PolarHBondContact O-N 3.17Å; N152-N154 VanDerWaalsContact O-N 3.13Å
155	L	34.1	Very low	46.1	Very low	155 Å²	155	134.8 Å²	134.8	81%	0.812	67%	0.672	S	S	*	*	S	Bend	trans	-119.8	-13.6	-179.7	-76.1	168	0	0	0	115.5
156	E	30.3	Very low	43.7	Very low	163 Å²	163	140.1 Å²	140.1	76%	0.762	70%	0.699	S	S	*	*	S	Bend	trans	-112.2	-24.1	-172.4	-67.7	178.7	154	0	0	114.7	K158	E156-K158 PolarHBondContact O-N 3.06Å
157	Q	31	Very low	41.4	Very low	187 Å²	187	147.3 Å²	147.3	87%	0.874	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.6	41	179	-74.3	-171.6	-30.3	0	0	114.7
158	K	32.2	Very low	39.4	Very low	200 Å²	200	145.1 Å²	145.1	87%	0.87	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.5	29.6	176	-134.7	179.8	-172.2	-176.4	0	114.2	E156	E156-K158 PolarHBondContact O-N 3.06Å
159	R	30.6	Very low	37.3	Very low	228 Å²	228	150 Å²	150	86%	0.86	76%	0.762	S	S	*	*	S	Bend	trans	-133.1	0.6	-177.5	-75.3	-167	177	-146.4	-0.4	115.9
160	E	31.1	Very low	35.6	Very low	185 Å²	185	155.8 Å²	155.8	86%	0.864	78%	0.78	S	S	*	*	S	Bend	trans	-136.3	72.8	-175.3	-65.7	-178.1	173	0	0	110.4
161	E	37.9	Very low	34.7	Very low	197 Å²	197	155.6 Å²	155.6	92%	0.921	79%	0.788	S	S	*	*	S	Bend	trans	-172.1	57.7	167.5	-115.1	172.4	-141.7	0	0	110.6
162	D	33	Very low	33.6	Very low	166 Å²	166	159 Å²	159	89%	0.888	80%	0.803	S	S	*	*			trans	-163.3	79.3	164.8	-125.6	-9.3	0	0	0	110.6
163	D	37.3	Very low	33.6	Very low	158 Å²	158	158.4 Å²	158.4	85%	0.845	81%	0.808	S	S	*	*			trans	-152.3	77.6	176.9	-125.6	-12.6	0	0	0	109.5
164	T	36.3	Very low	33.6	Very low	128 Å²	128	159.3 Å²	159.3	79%	0.785	81%	0.812	S	S	*	*			trans	-172.7	123.1	142.9	13.4	0	0	0	0	113.7
165	D	35.1	Very low	33.6	Very low	139 Å²	139	158.1 Å²	158.1	74%	0.743	81%	0.806	S	S	*	*			trans	71.4	122.5	143	-57	-15.5	0	0	0	123.9
166	D	38.9	Very low	33.7	Very low	145 Å²	145	157.1 Å²	157.1	78%	0.775	80%	0.801	S	S	*	*			trans	79.2	74	139.5	-65.8	-19.2	0	0	0	122.5
167	N	35.4	Very low	34	Very low	157 Å²	157	155.6 Å²	155.6	84%	0.84	80%	0.804	S	S	*	*				45.9	159.3	107.7	-104.6	-13.6	0	0	0	121.7
168	P	36	Very low	34.3	Very low	104 Å²	104	152 Å²	152	68%	0.675	80%	0.796	S	S	*	*				-129	178.7	-125.3	39	-20.3	0	0	0	114.1
169	L	33.6	Very low	34.6	Very low	171 Å²	171	148.4 Å²	148.4	90%	0.895	79%	0.794	S	S	*	*			trans	-160	148.4	150	-110.8	159.4	0	0	0	113.5
170	Y	31.6	Very low	34.6	Very low	215 Å²	215	142.6 Å²	142.6	84%	0.843	79%	0.788	S	S	*	*			trans	-70.1	145.7	-178.5	-78.6	-116.1	0	0	0	112.6
171	S	32.7	Very low	34.8	Very low	114 Å²	114	140.8 Å²	140.8	80%	0.797	79%	0.79	S	S	*	*				169.5	133.5	96	51.8	0	0	0	0	115.8
172	N	29.3	Very low	34.4	Very low	146 Å²	146	137.8 Å²	137.8	78%	0.781	79%	0.785	S	S	*	*			trans	-27.8	141.6	159.8	-138.9	8.8	0	0	0	117.4
173	S	33.7	Very low	34.5	Very low	95 Å²	95	135.3 Å²	135.3	66%	0.664	78%	0.78	S	S	*	*				159.9	119	113.8	-69	0	0	0	0	115.5
174	N	32	Very low	34.1	Very low	134 Å²	134	135.7 Å²	135.7	72%	0.717	78%	0.783	S	S	*	*			trans	60	128.5	131.9	-69.8	-4.7	0	0	0	124.2
175	N	33.4	Very low	34	Very low	133 Å²	133	135.1 Å²	135.1	71%	0.711	78%	0.778	S	S	*	*				108.7	130.5	126.9	-75.7	-3.8	0	0	0	122.1
176	N	35.3	Very low	33.8	Very low	134 Å²	134	134.7 Å²	134.7	72%	0.717	78%	0.781	S	S	*	*			trans	88.7	95	146.1	-59.9	-14	0	0	0	121.6
177	T	36.8	Very low	33.6	Very low	132 Å²	132	135.6 Å²	135.6	81%	0.81	78%	0.78	S	S	*	*				41.2	154.5	116.8	29.7	0	0	0	0	122.9
178	P	39	Very low	33.3	Very low	111 Å²	111	133.3 Å²	133.3	72%	0.721	78%	0.776	S	S	*	*			trans	-115.2	-168.5	-147.9	42.3	-28.1	0	0	0	114.5
179	P	38.2	Very low	33.2	Very low	125 Å²	125	135.6 Å²	135.6	81%	0.812	78%	0.782	S	S	*	*				-144.8	-175.9	102.4	40.1	-24.7	0	0	0	115.5
180	S	30	Very low	33.1	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	78%	0.781	S	S	*	*			trans	-85.6	145.1	176.3	53.3	0	0	0	0	115
181	T	35.8	Very low	33.4	Very low	148 Å²	148	131.1 Å²	131.1	91%	0.908	78%	0.779	S	S	*	*			trans	-158.6	155.2	140.8	3.2	0	0	0	0	114.1
182	T	29.9	Very low	33.6	Very low	133 Å²	133	131.1 Å²	131.1	82%	0.816	78%	0.776	S	S	*	*			trans	-75.5	144.2	-175	48.2	0	0	0	0	115.3
183	S	34.4	Very low	33.7	Very low	114 Å²	114	131.7 Å²	131.7	80%	0.797	78%	0.779	S	S	*	*			trans	-162.5	151.1	138	52	0	0	0	0	112.6
184	N	29.5	Very low	33.7	Very low	167 Å²	167	132.6 Å²	132.6	89%	0.893	79%	0.785	S	S	*	*			trans	-79.7	135.3	-178.9	-60	-50.6	0	0	0	111.4
185	V	33.8	Very low	33.6	Very low	115 Å²	115	132.2 Å²	132.2	70%	0.697	79%	0.788	S	S	*	*			trans	-138.3	129.8	158.9	-175.8	0	0	0	0	111
186	T	29.8	Very low	33.6	Very low	130 Å²	130	132.1 Å²	132.1	80%	0.798	79%	0.792	S	S	*	*			trans	-70.5	122.2	171.4	44.3	0	0	0	0	111.6
187	H	34.4	Very low	33.3	Very low	165 Å²	165	131.6 Å²	131.6	76%	0.764	79%	0.794	S	S	*	*			trans	-92.3	102	168.5	-81.3	-70.9	0	0	0	112
188	S	30.7	Very low	33	Very low	108 Å²	108	132 Å²	132	76%	0.755	80%	0.797	S	S	*	*			trans	-84.8	132.1	148	43.3	0	0	0	0	108.4
189	L	33.8	Very low	32.7	Very low	152 Å²	152	133.1 Å²	133.1	80%	0.796	80%	0.802	S	S	*	*			trans	-118.9	111.9	174.7	-85.9	163.4	0	0	0	109.2
190	N	31.9	Very low	32.3	Very low	161 Å²	161	133.6 Å²	133.6	86%	0.861	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-75.4	129.3	165.7	-71.6	-34.1	0	0	0	108.6
191	T	37.4	Very low	32.4	Very low	131 Å²	131	135.4 Å²	135.4	80%	0.804	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-81.9	143.3	159.6	37.8	0	0	0	0	109.9
192	P	37	Very low	32.1	Very low	115 Å²	115	133.7 Å²	133.7	75%	0.747	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-76.9	144.3	177.5	31.4	-33.8	0	0	0	111.5
193	N	30.9	Very low	32.2	Very low	158 Å²	158	134.2 Å²	134.2	85%	0.845	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-73.9	132.1	169	-76.4	-23.6	0	0	0	110.2
194	S	33.5	Very low	32.1	Very low	113 Å²	113	134.4 Å²	134.4	79%	0.79	80%	0.803	S	S	*	*			trans	-114.4	110.4	162.9	-55.3	0	0	0	0	108.3
195	T	29.6	Very low	32.3	Very low	127 Å²	127	132 Å²	132	78%	0.779	80%	0.795	S	S	*	*			trans	-94.2	121.8	179.4	-51.1	0	0	0	0	109.5
196	T	33.3	Very low	32.1	Very low	130 Å²	130	133 Å²	133	80%	0.798	80%	0.796	S	S	*	*			trans	-124.6	106.4	170.9	-28.8	0	0	0	0	109.8
197	T	28.7	Very low	32.3	Very low	123 Å²	123	132.2 Å²	132.2	76%	0.755	79%	0.791	S	S	*	*			trans	-78.5	135.4	168.7	34.8	0	0	0	0	110.5
198	T	32.3	Very low	32.2	Very low	141 Å²	141	129.6 Å²	129.6	87%	0.865	79%	0.787	S	S	*	*			trans	-123.9	114.8	164.9	9.7	0	0	0	0	110.2
199	T	32.2	Very low	32.2	Very low	134 Å²	134	131.8 Å²	131.8	82%	0.822	79%	0.79	S	S	*	*			trans	-82.1	141.2	178.6	-10.4	0	0	0	0	110.7
200	T	29.7	Very low	32.2	Very low	135 Å²	135	130.4 Å²	130.4	83%	0.828	79%	0.794	S	S	*	*			trans	-77.3	136.3	169.9	42.6	0	0	0	0	111.9
201	T	32	Very low	32.1	Very low	143 Å²	143	131.3 Å²	131.3	88%	0.877	80%	0.795	S	S	*	*			trans	-150.2	133.2	155.8	10.2	0	0	0	0	109.9
202	S	29	Very low	31.9	Very low	112 Å²	112	133.3 Å²	133.3	78%	0.783	80%	0.8	S	S	*	*			trans	-110	137.2	177.7	52.3	0	0	0	0	110.5
203	T	33	Very low	31.5	Very low	145 Å²	145	133.3 Å²	133.3	89%	0.89	80%	0.803	S	S	*	*			trans	-157.7	160.3	158.4	11	0	0	0	0	110.5
204	T	31.2	Very low	31.6	Very low	117 Å²	117	131.3 Å²	131.3	72%	0.718	80%	0.801	S	S	*	*			trans	-117.5	167.9	-158.1	50.1	0	0	0	0	113.2
205	T	33.4	Very low	31.3	Very low	117 Å²	117	131.7 Å²	131.7	72%	0.718	80%	0.804	S	S	*	*			trans	64.2	145.8	152.9	47.9	0	0	0	0	117.8
206	D	31	Very low	31.4	Very low	137 Å²	137	131.5 Å²	131.5	73%	0.733	80%	0.803	S	S	*	*			cis	-165.7	172.8	-11.3	-125.7	-28.5	0	0	0	111.4
207	T	32.7	Very low	31.2	Very low	112 Å²	112	132.8 Å²	132.8	69%	0.687	81%	0.805	S	S	*	*			trans	72.7	115.9	150.6	47.9	0	0	0	0	124.6
208	T	32.2	Very low	31.1	Very low	110 Å²	110	134 Å²	134	68%	0.675	81%	0.807	S	S	*	*				88	115.1	127.1	56.4	0	0	0	0	124.9
209	N	32.3	Very low	30.8	Very low	154 Å²	154	134.7 Å²	134.7	82%	0.824	81%	0.805	S	S	*	*				63.4	114.5	126.8	-57.3	-10.7	0	0	0	122.4
210	S	31.9	Very low	30.6	Very low	124 Å²	124	136.5 Å²	136.5	87%	0.867	80%	0.804	S	S	*	*				-159.2	151.7	112.8	-166.4	0	0	0	0	111.8
211	M	31.4	Very low	30.4	Very low	179 Å²	179	134.1 Å²	134.1	88%	0.882	79%	0.793	S	S	*	*			trans	-85.1	148.2	-176.7	-64	168.2	167.8	0	0	112.3
212	N	32.8	Very low	30.3	Very low	173 Å²	173	136.2 Å²	136.2	93%	0.925	79%	0.793	S	S	*	*			trans	-155.9	137.3	136.6	-111.8	-20.9	0	0	0	111.3
213	S	28	Very low	30.7	Very low	115 Å²	115	135.7 Å²	135.7	80%	0.804	78%	0.781	S	S	*	*			trans	-112.5	126.3	-171.7	54.5	0	0	0	0	112
214	S	32.6	Very low	31.7	Very low	116 Å²	116	130 Å²	130	81%	0.811	75%	0.751	S	S	*	*			trans	-144.8	115.2	159	50.4	0	0	0	0	110.2
215	S	27.2	Very low	33.2	Very low	121 Å²	121	127.8 Å²	127.8	85%	0.846	74%	0.738	S	S	*	*			trans	-88.1	117.8	-176.1	51	0	0	0	0	111.8
216	T	32.4	Very low	35.3	Very low	123 Å²	123	124.6 Å²	124.6	76%	0.755	71%	0.713	S	S	*	*			trans	-139.9	102.4	168.2	38.6	0	0	0	0	112.2
217	N	28.7	Very low	37.9	Very low	158 Å²	158	119.5 Å²	119.5	85%	0.845	68%	0.683	S	S	*	*			trans	40.2	85.4	152.2	-62.1	-12	0	0	0	119.1	N219	N217-N219 PolarHBondContact O-N 2.82Å
218	N	26.7	Very low	40.5	Very low	147 Å²	147	115.9 Å²	115.9	79%	0.786	66%	0.66	S	S	*	*			trans	-72.9	86	159.1	-87.6	-15.7	0	0	0	111.7
219	N	26.5	Very low	43.3	Very low	157 Å²	157	110.6 Å²	110.6	84%	0.84	63%	0.628	S	S	*	*			trans	-108.8	67.2	153.6	-88.6	-13.6	0	0	0	108.7	N217 S221	N217-N219 PolarHBondContact O-N 2.82Å; N219-S221 VanDerWaalsContact C-N 3.3Å; N219-S221 PolarHBondContact O-N 3.43Å
220	H	27.3	Very low	46.1	Very low	171 Å²	171	103.8 Å²	103.8	79%	0.792	59%	0.591	S	S	*	*			trans	-71	92.1	167.4	-88.9	31.7	0	0	0	109	H222	H220-H222 PolarHBondContact O-N 3.5Å
221	S	26.4	Very low	48.9	Very low	86 Å²	86	97.9 Å²	97.9	60%	0.601	55%	0.55	S	S	*	.			trans	-47.8	137.1	164.3	-175.2	0	0	0	0	109.6	N219 N223	N219-S221 VanDerWaalsContact C-N 3.3Å; N219-S221 PolarHBondContact O-N 3.43Å; S221-N223 PolarHBondContact O-N 3.42Å
222	H	29.7	Very low	51.7	Low	187 Å²	187	89.6 Å²	89.6	87%	0.866	51%	0.509	S	S	*	.			trans	-67.3	77	175.4	-87.5	-76.8	0	0	0	110.6	H220 G224	H220-H222 PolarHBondContact O-N 3.5Å; H222-G224 PolarHBondContact O-N 3.09Å
223	N	37.7	Very low	54.2	Low	100 Å²	100	82 Å²	82	54%	0.535	47%	0.468	S	S	.	.			trans	-60.8	123.5	166.7	-77.9	-7.3	0	0	0	108.2	S221 V225	S221-N223 PolarHBondContact O-N 3.42Å; N223-V225 PolarHBondContact O-N 3.25Å; N223-V225 VanDerWaalsContact O-N 3.08Å
224	G	53.3	Low	56.8	Low	26 Å²	26	77.5 Å²	77.5	27%	0.268	44%	0.437	S	S	.	.			trans	-60	112.4	-172.7	0	0	0	0	0	111.9	H222 Y226	H222-G224 PolarHBondContact O-N 3.09Å; G224-Y226 PolarHBondContact O-N 3.04Å
225	V	63.9	Low	59.3	Low	71 Å²	71	74 Å²	74	43%	0.43	41%	0.413	S	S	.	.			trans	-70	101.1	-178.2	-172.7	0	0	0	0	109.6	L7 V148 N223 Y227	L7-V225 WeakPolarHBondContact CD2-O 3.39Å; V148-V225 HydrophobicContact CB-CG1 4.1Å; V148-V225 HydrophobicContact CG1-CG1 3.54Å; V148-V225 HydrophobicContact CG2-CG1 3.51Å; N223-V225 PolarHBondContact O-N 3.25Å; N223-V225 VanDerWaalsContact O-N 3.08Å; V225-Y227 HydrophobicContact CB-CE2 3.97Å; V225-Y227 HydrophobicContact CG1-CD2 4.12Å; V225-Y227 HydrophobicContact CG1-CE2 3.36Å; V225-Y227 VanDerWaalsContact O-CD2 3.32Å; V225-Y227 WeakPolarHBondContact O-CD2 3.24Å
226	Y	76.6	Confident	62.3	Low	50 Å²	50	70.4 Å²	70.4	20%	0.196	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.5	174.9	-171.8	-84.5	0	0	0	110.6	L7 V148 M149 G224	L7-Y226 HydrophobicContact CD2-CD2 4.06Å; L7-Y226 HydrophobicContact CD2-CG 4.47Å; V148-Y226 CarbonylContact C-O 3.55Å; V148-Y226 WeakPolarHBondContact CA-O 3.39Å; M149-Y226 HydrophobicContact CB-CD1 3.91Å; M149-Y226 HydrophobicContact CG-CD1 3.91Å; M149-Y226 HydrophobicContact CG-CE1 4.41Å; M149-Y226 PolarHBondContact N-O 3.42Å; M149-Y226 HydrophobicContact SD-CD1 3.51Å; M149-Y226 VanDerWaalsContact SD-CD1 3.51Å; M149-Y226 HydrophobicContact SD-CE1 3.46Å; M149-Y226 WeakPolarHBondContact SD-CE1 3.11Å; G224-Y226 PolarHBondContact O-N 3.04Å
227	Y	85.2	Confident	65	Low	29 Å²	29	65.9 Å²	65.9	11%	0.114	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	128.3	175.8	-71.6	-100.1	0	0	0	109.6	I125 L146 K147 V148 V225 G229 L230	I125-Y227 HydrophobicContact CD1-CD1 4.46Å; I125-Y227 HydrophobicContact CD1-CD2 3.57Å; I125-Y227 HydrophobicContact CD1-CE1 4.37Å; I125-Y227 HydrophobicContact CD1-CE2 3.47Å; I125-Y227 VanDerWaalsContact CD1-CE2 3.47Å; I125-Y227 HydrophobicContact CD1-CG 4.07Å; I125-Y227 HydrophobicContact CG2-CD1 4.31Å; I125-Y227 HydrophobicContact CG2-CE1 3.71Å; L146-Y227 HydrophobicContact CD2-CD1 3.94Å; L146-Y227 HydrophobicContact CD2-CE1 4.39Å; L146-Y227 HydrophobicContact CG-CD1 3.96Å; K147-Y227 WeakPolarHBondContact O-CA 3.42Å; V148-Y227 HydrophobicContact CG2-CD1 4.25Å; V148-Y227 HydrophobicContact CG2-CE1 3.61Å; V148-Y227 HydrophobicContact CG2-CE2 4.37Å; V225-Y227 HydrophobicContact CB-CE2 3.97Å; V225-Y227 HydrophobicContact CG1-CD2 4.12Å; V225-Y227 HydrophobicContact CG1-CE2 3.36Å; V225-Y227 VanDerWaalsContact O-CD2 3.32Å; V225-Y227 WeakPolarHBondContact O-CD2 3.24Å; Y227-G229 PolarHBondContact O-N 3.18Å; Y227-L230 HydrophobicContact CD2-CD2 4.15Å; Y227-L230 HydrophobicContact CG-CD2 4.32Å; Y227-L230 WeakPolarHBondContact O-CB 3.21Å; Y227-L230 PolarHBondContact O-N 3.43Å
228	D	88.4	Confident	68.1	Low	36 Å²	36	58.4 Å²	58.4	19%	0.193	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	134.3	179	-169	27.2	0	0	0	111	K147 M149 L230 R339	K147-D228 PolarHBondContact O-N 3.48Å; M149-D228 HydrophobicContact CG-CB 4.14Å; M149-D228 HydrophobicContact SD-CB 3.81Å; D228-L230 VanDerWaalsContact C-N 3.3Å; D228-L230 PolarHBondContact O-N 3.38Å; D228-R339 IonicContact OD1-CZ 3.22Å; D228-R339 IonicContact OD1-NH2 2.76Å; D228-R339 PolarHBondContact OD1-NH2 3.3Å; D228-R339 IonicContact OD2-CZ 3.09Å; D228-R339 IonicContact OD2-NH2 3.19Å; D228-R339 PolarHBondContact OD2-NH2 2.66Å
229	G	89.5	Confident	71.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	2.1	-175.1	0	0	0	0	0	116.7	Y227 I240 T241	Y227-G229 PolarHBondContact O-N 3.18Å; G229-I240 WeakPolarHBondContact O-CA 3.47Å; G229-T241 PolarHBondContact O-N 3.36Å
230	L	92.9	Very high	74.6	Confident	10 Å²	10	44 Å²	44	5%	0.052	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.7	-177.1	-179.1	65.3	0	0	0	114	P9 L121 I125 Y227 D228 I240	P9-L230 VanDerWaalsContact CG-O 3.3Å; P9-L230 WeakPolarHBondContact CG-O 3.47Å; L121-L230 HydrophobicContact CD1-CD2 4.18Å; L121-L230 HydrophobicContact CD2-CD1 4.12Å; L121-L230 HydrophobicContact CD2-CD2 3.98Å; L121-L230 HydrophobicContact CD2-CG 4.3Å; I125-L230 HydrophobicContact CD1-CD2 3.67Å; I125-L230 HydrophobicContact CG1-CD1 4.42Å; I125-L230 HydrophobicContact CG1-CD2 4.19Å; Y227-L230 HydrophobicContact CD2-CD2 4.15Å; Y227-L230 HydrophobicContact CG-CD2 4.32Å; Y227-L230 WeakPolarHBondContact O-CB 3.21Å; Y227-L230 PolarHBondContact O-N 3.43Å; D228-L230 VanDerWaalsContact C-N 3.3Å; D228-L230 PolarHBondContact O-N 3.38Å; L230-I240 HydrophobicContact CD1-CG1 3.9Å
231	R	90.1	Very high	77.9	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	49.1	-164.8	-11.8	179.9	-173.3	-173.5	-1.2	125.5	P9 L233 F238 E239 T241 D409 Y411	P9-R231 HydrophobicContact CB-CB 3.54Å; P9-R231 HydrophobicContact CB-CG 3.43Å; P9-R231 VanDerWaalsContact CB-CG 3.43Å; P9-R231 HydrophobicContact CG-CB 3.14Å; P9-R231 HydrophobicContact CG-CG 3.64Å; R231-L233 HydrophobicContact CB-CD2 4.24Å; R231-L233 WeakPolarHBondContact O-CG 3.37Å; R231-L233 PolarHBondContact O-N 3.43Å; R231-F238 CarbonylContact O-C 3.52Å; R231-F238 WeakPolarHBondContact O-CA 3.48Å; R231-E239 WeakPolarHBondContact CA-O 3.44Å; R231-E239 HydrophobicContact CB-CB 3.81Å; R231-E239 HydrophobicContact CB-CG 4.03Å; R231-E239 WeakPolarHBondContact CD-OE2 3.32Å; R231-E239 HydrophobicContact CG-CG 4.37Å; R231-E239 PolarHBondContact N-O 3.46Å; R231-E239 PolarHBondContact O-N 3.42Å; R231-T241 PolarHBondContact NE-OG1 2.87Å; R231-T241 PolarHBondContact NH2-OG1 2.9Å; R231-D409 IonicContact CZ-OD1 2.7Å; R231-D409 IonicContact CZ-OD2 2.96Å; R231-D409 VanDerWaalsContact NH1-CG 3.26Å; R231-D409 IonicContact NH1-OD1 2.75Å; R231-D409 PolarHBondContact NH1-OD1 3.41Å; R231-D409 IonicContact NH1-OD2 2.81Å; R231-D409 PolarHBondContact NH1-OD2 3.36Å; R231-D409 VanDerWaalsContact NH1-OD2 3.13Å; R231-D409 IonicContact NH2-OD1 3.84Å; R231-D409 IonicContact NH2-OD2 3.81Å; R231-D409 PolarHBondContact NH2-OD2 3.33Å; R231-Y411 VanDerWaalsContact NH2-CB 3.32Å
232	V	89	Confident	81.3	Confident	6 Å²	6	31.8 Å²	31.8	4%	0.036	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	101.4	172.5	-171.3	0	0	0	0	113.7	P9 I117 L121 F238	P9-V232 VanDerWaalsContact CD-O 3.26Å; P9-V232 WeakPolarHBondContact CD-O 3.37Å; P9-V232 HydrophobicContact CG-CB 4.34Å; I117-V232 HydrophobicContact CD1-CG1 4.19Å; I117-V232 HydrophobicContact CG2-CG1 3.93Å; I117-V232 HydrophobicContact CG2-CG2 3.79Å; L121-V232 HydrophobicContact CD1-CG2 3.74Å; L121-V232 HydrophobicContact CD2-CG2 4.1Å; L121-V232 HydrophobicContact CG-CG2 4.28Å; V232-F238 HydrophobicContact CB-CD1 4.41Å; V232-F238 HydrophobicContact CG1-CD1 4.46Å; V232-F238 HydrophobicContact CG1-CE1 4.17Å; V232-F238 HydrophobicContact CG2-CD1 4.12Å; V232-F238 HydrophobicContact CG2-CE1 4.16Å
233	L	86.3	Confident	84.4	Confident	13 Å²	13	23.9 Å²	23.9	7%	0.068	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-20.1	177	-51.7	-177.4	0	0	0	113.1	H10 M13 R231 H237 E239	H10-L233 PolarHBondContact CE1-O 3.43Å; H10-L233 VanDerWaalsContact NE2-CA 3.34Å; H10-L233 WeakPolarHBondContact NE2-CA 3.34Å; H10-L233 PolarHBondContact NE2-O 2.88Å; M13-L233 HydrophobicContact CG-CD1 3.77Å; R231-L233 HydrophobicContact CB-CD2 4.24Å; R231-L233 WeakPolarHBondContact O-CG 3.37Å; R231-L233 PolarHBondContact O-N 3.43Å; L233-H237 WeakPolarHBondContact CA-O 3.38Å; L233-H237 HydrophobicContact CB-CB 3.96Å; L233-H237 PolarHBondContact N-O 3.06Å; L233-E239 HydrophobicContact CD1-CB 4.17Å; L233-E239 HydrophobicContact CG-CB 4.39Å
234	S	83.2	Confident	87.2	Confident	20 Å²	20	19.9 Å²	19.9	14%	0.14	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	-178.8	168.1	79	0	0	0	0	109.1	N236 H237	S234-N236 PolarHBondContact O-N 2.88Å; S234-N236 PolarHBondContact OG-N 2.83Å; S234-N236 VanDerWaalsContact OG-N 3.08Å; S234-N236 PolarHBondContact OG-OD1 2.75Å; S234-H237 PolarHBondContact N-O 3.45Å; S234-H237 PolarHBondContact O-N 3.04Å; S234-H237 WeakPolarHBondContact OG-CB 3.1Å; S234-H237 PolarHBondContact OG-N 2.9Å; S234-H237 PolarHBondContact OG-ND1 3.18Å
235	S	85.1	Confident	89	Confident	43 Å²	43	22.5 Å²	22.5	30%	0.301	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-8.6	171.3	68.9	0	0	0	0	115.6
236	N	88.5	Confident	90	Very high	46 Å²	46	27.3 Å²	27.3	25%	0.246	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	5.7	174.7	75.3	-32.2	0	0	0	115.3	S234 K329 Y330 I331	S234-N236 PolarHBondContact O-N 2.88Å; S234-N236 PolarHBondContact OG-N 2.83Å; S234-N236 VanDerWaalsContact OG-N 3.08Å; S234-N236 PolarHBondContact OG-OD1 2.75Å; N236-K329 PolarHBondContact ND2-O 2.79Å; N236-Y330 HydrophobicContact CB-CD1 4.09Å; N236-Y330 CarbonylContact O-C 3.34Å; N236-Y330 WeakPolarHBondContact O-CA 3.37Å; N236-I331 PolarHBondContact O-N 2.77Å
237	H	90.1	Very high	90.4	Very high	28 Å²	28	26.6 Å²	26.6	13%	0.13	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.1	176.4	-71.4	63.7	0	0	0	109.7	L233 S234 I331 M468 H470	L233-H237 WeakPolarHBondContact CA-O 3.38Å; L233-H237 HydrophobicContact CB-CB 3.96Å; L233-H237 PolarHBondContact N-O 3.06Å; S234-H237 PolarHBondContact N-O 3.45Å; S234-H237 PolarHBondContact O-N 3.04Å; S234-H237 WeakPolarHBondContact OG-CB 3.1Å; S234-H237 PolarHBondContact OG-N 2.9Å; S234-H237 PolarHBondContact OG-ND1 3.18Å; H237-I331 CarbonylContact C-O 3.54Å; H237-I331 WeakPolarHBondContact CA-O 3.24Å; H237-M468 VanDerWaalsContact CE1-CE 3.47Å; H237-M468 WeakPolarHBondContact CE1-CE 3.41Å; H237-H470 AromaticContact CE1-CE1 3.99Å; H237-H470 AromaticContact CE1-ND1 3.77Å; H237-H470 AromaticContact NE2-CE1 3.12Å; H237-H470 PolarHBondContact NE2-CE1 3.28Å; H237-H470 AromaticContact NE2-ND1 3.14Å; H237-H470 PolarHBondContact NE2-ND1 3.35Å; H237-H470 VanDerWaalsContact NE2-ND1 3.14Å
238	F	93.2	Very high	90.5	Very high	1 Å²	1	28 Å²	28	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.2	-175.3	-53.8	-86.5	0	0	0	109	I117 T120 L121 I124 R231 V232 Y330 I331 L332 Q333	I117-F238 HydrophobicContact CG2-CE1 4.42Å; T120-F238 HydrophobicContact CG2-CE2 3.89Å; T120-F238 HydrophobicContact CG2-CZ 3.67Å; L121-F238 HydrophobicContact CD2-CD1 3.43Å; L121-F238 VanDerWaalsContact CD2-CD1 3.43Å; L121-F238 HydrophobicContact CD2-CE1 3.62Å; L121-F238 HydrophobicContact CD2-CG 4.37Å; L121-F238 HydrophobicContact CG-CD1 4.38Å; L121-F238 HydrophobicContact CG-CE1 4.09Å; I124-F238 HydrophobicContact CD1-CD1 4.4Å; I124-F238 HydrophobicContact CD1-CD2 3.18Å; I124-F238 HydrophobicContact CD1-CE1 4.47Å; I124-F238 HydrophobicContact CD1-CE2 3.27Å; I124-F238 HydrophobicContact CD1-CG 3.79Å; I124-F238 HydrophobicContact CD1-CZ 3.95Å; R231-F238 CarbonylContact O-C 3.52Å; R231-F238 WeakPolarHBondContact O-CA 3.48Å; V232-F238 HydrophobicContact CB-CD1 4.41Å; V232-F238 HydrophobicContact CG1-CD1 4.46Å; V232-F238 HydrophobicContact CG1-CE1 4.17Å; V232-F238 HydrophobicContact CG2-CD1 4.12Å; V232-F238 HydrophobicContact CG2-CE1 4.16Å; F238-Y330 HydrophobicContact CE2-CD1 4.22Å; F238-Y330 HydrophobicContact CE2-CG 4.46Å; F238-I331 PolarHBondContact N-O 2.97Å; F238-L332 HydrophobicContact CB-CD1 4.11Å; F238-L332 CarbonylContact O-C 3.34Å; F238-L332 WeakPolarHBondContact O-CA 3.31Å; F238-Q333 PolarHBondContact O-N 2.88Å
239	E	93.9	Very high	90.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158.5	173	157.5	172.5	-114.2	0	0	109.8	R231 L233 Q333 T335 Q389	R231-E239 WeakPolarHBondContact CA-O 3.44Å; R231-E239 HydrophobicContact CB-CB 3.81Å; R231-E239 HydrophobicContact CB-CG 4.03Å; R231-E239 WeakPolarHBondContact CD-OE2 3.32Å; R231-E239 HydrophobicContact CG-CG 4.37Å; R231-E239 PolarHBondContact N-O 3.46Å; R231-E239 PolarHBondContact O-N 3.42Å; L233-E239 HydrophobicContact CD1-CB 4.17Å; L233-E239 HydrophobicContact CG-CB 4.39Å; E239-Q333 CarbonylContact C-O 3.6Å; E239-Q333 VanDerWaalsContact C-O 3.3Å; E239-Q333 WeakPolarHBondContact CA-O 3.35Å; E239-Q333 HydrophobicContact CB-CB 4.07Å; E239-Q333 HydrophobicContact CG-CB 4.47Å; E239-Q333 HydrophobicContact CG-CG 4.41Å; E239-T335 WeakPolarHBondContact OE1-CB 3.5Å; E239-T335 PolarHBondContact OE1-OG1 2.81Å; E239-Q389 PolarHBondContact OE1-NE2 2.76Å
240	I	96	Very high	90.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	120.2	168.2	-72.4	166.1	0	0	0	106.6	A128 L146 G229 L230 L242 L332 Q333 I334 T335	A128-I240 HydrophobicContact CB-CD1 3.32Å; L146-I240 HydrophobicContact CD1-CB 4.31Å; L146-I240 HydrophobicContact CD1-CD1 3.81Å; L146-I240 HydrophobicContact CD1-CG1 3.73Å; L146-I240 HydrophobicContact CD1-CG2 3.63Å; G229-I240 WeakPolarHBondContact O-CA 3.47Å; L230-I240 HydrophobicContact CD1-CG1 3.9Å; I240-L242 PolarHBondContact O-N 3.34Å; I240-L332 HydrophobicContact CD1-CD1 3.76Å; I240-L332 HydrophobicContact CD1-CD2 4.04Å; I240-L332 HydrophobicContact CD1-CG 4.49Å; I240-L332 HydrophobicContact CG1-CD1 3.86Å; I240-Q333 PolarHBondContact N-O 2.67Å; I240-I334 HydrophobicContact CB-CG1 4.41Å; I240-I334 HydrophobicContact CB-CG2 4.37Å; I240-I334 HydrophobicContact CG2-CG2 4.3Å; I240-I334 CarbonylContact O-C 3.54Å; I240-I334 WeakPolarHBondContact O-CA 3.45Å; I240-T335 PolarHBondContact O-N 2.83Å
241	T	96.4	Very high	90.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	108.6	167.4	-49.1	0	0	0	0	108.7	G229 R231 Y243 T335 A337 L387	G229-T241 PolarHBondContact O-N 3.36Å; R231-T241 PolarHBondContact NE-OG1 2.87Å; R231-T241 PolarHBondContact NH2-OG1 2.9Å; T241-Y243 HydrophobicContact CG2-CD1 3.98Å; T241-Y243 HydrophobicContact CG2-CE1 3.43Å; T241-Y243 VanDerWaalsContact CG2-CE1 3.43Å; T241-Y243 HydrophobicContact CG2-CE2 4.16Å; T241-Y243 PolarHBondContact O-N 2.89Å; T241-T335 WeakPolarHBondContact CA-O 3.31Å; T241-A337 HydrophobicContact CG2-CB 3.46Å; T241-A337 VanDerWaalsContact CG2-CB 3.46Å; T241-L387 HydrophobicContact CG2-CD2 3.97Å
242	L	97.2	Very high	91.1	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	104.6	174.2	-178.9	67.5	0	0	0	108.5	L132 F142 V143 I240 L244 F296 I334 T335 P336 A337	L132-L242 HydrophobicContact CD1-CD1 4.34Å; L132-L242 HydrophobicContact CD2-CD1 4.09Å; L132-L242 HydrophobicContact CD2-CD2 4.03Å; F142-L242 HydrophobicContact CB-CD2 4.35Å; F142-L242 HydrophobicContact CD1-CD2 4.06Å; V143-L242 WeakPolarHBondContact O-CD1 3.42Å; I240-L242 PolarHBondContact O-N 3.34Å; L242-L244 PolarHBondContact O-N 2.84Å; L242-F296 HydrophobicContact CD2-CD2 4.23Å; L242-F296 HydrophobicContact CD2-CE1 4.42Å; L242-F296 HydrophobicContact CD2-CE2 3.4Å; L242-F296 HydrophobicContact CD2-CZ 3.52Å; L242-I334 HydrophobicContact CB-CG2 4.12Å; L242-T335 PolarHBondContact N-O 3.07Å; L242-P336 CarbonylContact O-C 3.56Å; L242-P336 WeakPolarHBondContact O-CA 3.23Å; L242-A337 PolarHBondContact O-N 2.52Å
243	Y	96.3	Very high	91.4	Very high	21 Å²	21	36.5 Å²	36.5	8%	0.082	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	111.1	-178.4	-65.2	-68.3	0	0	0	110.5	T145 T241 A337 R339	T145-Y243 WeakPolarHBondContact CG2-O 3.4Å; T145-Y243 PolarHBondContact OG1-N 3.19Å; T145-Y243 VanDerWaalsContact OG1-N 3.08Å; T241-Y243 HydrophobicContact CG2-CD1 3.98Å; T241-Y243 HydrophobicContact CG2-CE1 3.43Å; T241-Y243 VanDerWaalsContact CG2-CE1 3.43Å; T241-Y243 HydrophobicContact CG2-CE2 4.16Å; T241-Y243 PolarHBondContact O-N 2.89Å; Y243-A337 HydrophobicContact CD1-CB 4.44Å; Y243-R339 HydrophobicContact CD1-CB 4.07Å; Y243-R339 HydrophobicContact CE1-CB 4.27Å; Y243-R339 HydrophobicContact CE1-CG 4.43Å; Y243-R339 PolarHBondContact OH-NH2 2.99Å
244	L	96.4	Very high	91.8	Very high	15 Å²	15	36.3 Å²	36.3	8%	0.079	20%	0.202	C	C	.	.			trans	-70.5	151.3	175.8	-57.1	-177.8	0	0	0	110.6	F142 L242 W277 I292 P336 A337 F338 W406	F142-L244 HydrophobicContact CD1-CD2 3.55Å; F142-L244 HydrophobicContact CE1-CD2 3.71Å; L242-L244 PolarHBondContact O-N 2.84Å; L244-W277 HydrophobicContact CB-CH2 3.99Å; L244-W277 HydrophobicContact CB-CZ2 3.79Å; L244-W277 HydrophobicContact CD1-CH2 4.16Å; L244-W277 HydrophobicContact CD1-CZ2 4.38Å; L244-W277 HydrophobicContact CD1-CZ3 4.47Å; L244-W277 HydrophobicContact CD2-CH2 3.98Å; L244-W277 HydrophobicContact CG-CH2 4.26Å; L244-W277 HydrophobicContact CG-CZ2 4.49Å; L244-I292 HydrophobicContact CD1-CD1 4.37Å; L244-I292 HydrophobicContact CD1-CG2 4.05Å; L244-P336 HydrophobicContact CD1-CB 4.1Å; L244-P336 HydrophobicContact CD2-CB 4.25Å; L244-P336 HydrophobicContact CG-CB 4.3Å; L244-A337 PolarHBondContact N-O 2.78Å; L244-F338 HydrophobicContact CB-CD1 3.87Å; L244-F338 HydrophobicContact CB-CE1 3.59Å; L244-F338 HydrophobicContact CB-CZ 4.25Å; L244-F338 HydrophobicContact CD1-CE1 4.1Å; L244-F338 HydrophobicContact CD1-CE2 4.3Å; L244-F338 HydrophobicContact CD1-CZ 3.89Å; L244-F338 HydrophobicContact CG-CE1 4.48Å; L244-W406 HydrophobicContact CD1-CH2 4.4Å
245	N	91.5	Very high	92.1	Very high	81 Å²	81	40.7 Å²	40.7	43%	0.433	22%	0.224	S	C	.	.	S	Bend	trans	-53.1	157.8	170.7	-80	-34.5	0	0	0	111.8	L276 W277 F338	N245-L276 HydrophobicContact CB-CD2 3.96Å; N245-W277 HydrophobicContact CB-CZ2 4.37Å; N245-F338 WeakPolarHBondContact O-CD1 3.37Å; N245-F338 WeakPolarHBondContact O-CE1 3.4Å
246	Q	84.1	Confident	92.1	Very high	172 Å²	172	41.1 Å²	41.1	80%	0.804	23%	0.234	S	C	*	.			trans	-42.9	137.7	-171.1	-60.1	-179	3.9	0	0	114.3	G248	Q246-G248 PolarHBondContact O-N 3.17Å
247	M	84.8	Confident	92	Very high	36 Å²	36	42.6 Å²	42.6	18%	0.177	25%	0.249	C	C	.	.			trans	-63.6	-29.5	175.5	66.3	-179.9	72.2	0	0	112.6	V249 F250 L264 F338 L386	M247-V249 PolarHBondContact O-N 2.64Å; M247-F250 HydrophobicContact CB-CD2 4.4Å; M247-F250 WeakPolarHBondContact O-CD2 3.09Å; M247-L264 HydrophobicContact CE-CD2 4.17Å; M247-L264 HydrophobicContact SD-CD2 3.65Å; M247-F338 HydrophobicContact CB-CD1 4.16Å; M247-F338 HydrophobicContact CB-CE1 4.32Å; M247-F338 HydrophobicContact CB-CG 4.35Å; M247-F338 HydrophobicContact CE-CB 3.87Å; M247-F338 HydrophobicContact CE-CG 4.42Å; M247-L386 HydrophobicContact CE-CD1 4.15Å
248	G	87.5	Confident	91.9	Very high	58 Å²	58	42 Å²	42	60%	0.598	25%	0.246	S	C	*	.			trans	66.6	-103.1	174	0	0	0	0	0	113.5	Q246 F250	Q246-G248 PolarHBondContact O-N 3.17Å; G248-F250 VanDerWaalsContact C-N 3.33Å; G248-F250 PolarHBondContact O-N 3.48Å
249	V	90.3	Very high	91.7	Very high	26 Å²	26	44.4 Å²	44.4	16%	0.158	26%	0.262	C	S	.	.	S	Bend	trans	-83.9	3.2	-166	-62.1	0	0	0	0	115.5	M247 L266 S267 K271	M247-V249 PolarHBondContact O-N 2.64Å; V249-L266 HydrophobicContact CG2-CD2 3.7Å; V249-S267 WeakPolarHBondContact O-CB 3.36Å; V249-S267 PolarHBondContact O-N 3.01Å; V249-S267 PolarHBondContact O-OG 3.43Å; V249-K271 HydrophobicContact CB-CB 4.11Å; V249-K271 HydrophobicContact CB-CD 4.25Å; V249-K271 HydrophobicContact CG1-CB 4.09Å; V249-K271 HydrophobicContact CG1-CD 4.03Å; V249-K271 HydrophobicContact CG2-CB 4.38Å
250	F	95.2	Very high	91.7	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	137	178.8	-58.3	-78.7	0	0	0	112.3	M247 G248 L264 K265 L266 S275 I281 L287	M247-F250 HydrophobicContact CB-CD2 4.4Å; M247-F250 WeakPolarHBondContact O-CD2 3.09Å; G248-F250 VanDerWaalsContact C-N 3.33Å; G248-F250 PolarHBondContact O-N 3.48Å; F250-L264 HydrophobicContact CB-CB 4.03Å; F250-L264 HydrophobicContact CB-CD2 4.26Å; F250-L264 HydrophobicContact CG-CB 4.28Å; F250-K265 CarbonylContact C-O 3.56Å; F250-K265 WeakPolarHBondContact CA-O 3.37Å; F250-L266 HydrophobicContact CD1-CD2 3.93Å; F250-L266 HydrophobicContact CD1-CG 4.17Å; F250-L266 HydrophobicContact CE1-CD2 3.52Å; F250-L266 HydrophobicContact CE1-CG 3.77Å; F250-L266 HydrophobicContact CZ-CD2 4.04Å; F250-S275 VanDerWaalsContact CE2-OG 3.3Å; F250-S275 WeakPolarHBondContact CE2-OG 3.47Å; F250-S275 WeakPolarHBondContact CZ-OG 3.27Å; F250-I281 HydrophobicContact CE1-CD1 4.02Å; F250-I281 HydrophobicContact CE1-CG1 4.11Å; F250-I281 HydrophobicContact CZ-CD1 3.65Å; F250-I281 HydrophobicContact CZ-CG1 3.8Å; F250-L287 HydrophobicContact CD1-CB 4.08Å; F250-L287 HydrophobicContact CD2-CD2 4.05Å; F250-L287 HydrophobicContact CE1-CB 3.72Å; F250-L287 HydrophobicContact CE2-CB 4.19Å; F250-L287 HydrophobicContact CE2-CD1 4.31Å; F250-L287 HydrophobicContact CE2-CD2 3.73Å; F250-L287 HydrophobicContact CE2-CG 4.3Å; F250-L287 HydrophobicContact CG-CB 4.49Å; F250-L287 HydrophobicContact CZ-CB 3.8Å; F250-L287 HydrophobicContact CZ-CD1 3.98Å; F250-L287 HydrophobicContact CZ-CD2 4.12Å; F250-L287 HydrophobicContact CZ-CG 4.18Å
251	N	94.5	Very high	91.5	Very high	89 Å²	89	45.1 Å²	45.1	48%	0.476	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.9	163.7	-65.5	-17.3	0	0	0	109.2	L264 K265	N251-L264 WeakPolarHBondContact O-CA 3.28Å; N251-K265 PolarHBondContact N-O 3.44Å; N251-K265 PolarHBondContact O-N 2.85Å
252	F	94.5	Very high	91.5	Very high	50 Å²	50	45.3 Å²	45.3	22%	0.219	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.4	164.2	165.8	-104.9	0	0	0	109.9	D254 A262 L264 P345 F384 L386 L408	F252-D254 HydrophobicContact CE1-CB 3.89Å; F252-D254 HydrophobicContact CE2-CB 4.2Å; F252-D254 HydrophobicContact CZ-CB 3.5Å; F252-A262 HydrophobicContact CD2-CB 4.03Å; F252-A262 HydrophobicContact CE2-CB 3.37Å; F252-A262 HydrophobicContact CZ-CB 4.17Å; F252-L264 HydrophobicContact CB-CD2 4.36Å; F252-P345 HydrophobicContact CZ-CB 4.1Å; F252-P345 HydrophobicContact CZ-CG 4.32Å; F252-F384 HydrophobicContact CD1-CZ 4.26Å; F252-F384 HydrophobicContact CD2-CE2 4.17Å; F252-F384 AromaticContact CD2-CZ 3.97Å; F252-F384 HydrophobicContact CD2-CZ 3.97Å; F252-F384 AromaticContact CE1-CZ 3.84Å; F252-F384 HydrophobicContact CE1-CZ 3.84Å; F252-F384 AromaticContact CE2-CE2 3.56Å; F252-F384 HydrophobicContact CE2-CE2 3.56Å; F252-F384 AromaticContact CE2-CZ 3.5Å; F252-F384 HydrophobicContact CE2-CZ 3.5Å; F252-F384 VanDerWaalsContact CE2-CZ 3.5Å; F252-F384 HydrophobicContact CG-CZ 4.32Å; F252-F384 HydrophobicContact CZ-CE1 4.35Å; F252-F384 AromaticContact CZ-CE2 3.85Å; F252-F384 HydrophobicContact CZ-CE2 3.85Å; F252-F384 AromaticContact CZ-CZ 3.43Å; F252-F384 HydrophobicContact CZ-CZ 3.43Å; F252-F384 VanDerWaalsContact CZ-CZ 3.43Å; F252-L386 HydrophobicContact CD2-CD1 4.15Å; F252-L386 HydrophobicContact CD2-CD2 4.31Å; F252-L386 HydrophobicContact CE2-CD2 4.08Å; F252-L408 HydrophobicContact CE2-CD2 3.91Å; F252-L408 HydrophobicContact CZ-CD2 4.09Å
253	I	94.7	Very high	91.4	Very high	56 Å²	56	46.5 Å²	46.5	29%	0.287	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.1	178	-55.5	178.4	0	0	0	108.8	A262 V263 K265	I253-A262 WeakPolarHBondContact O-CB 3.12Å; I253-V263 HydrophobicContact CB-CG2 3.85Å; I253-V263 HydrophobicContact CG2-CG2 4.3Å; I253-V263 PolarHBondContact N-O 3.39Å; I253-V263 PolarHBondContact O-N 3.38Å; I253-K265 HydrophobicContact CD1-CB 3.64Å; I253-K265 HydrophobicContact CD1-CD 3.86Å; I253-K265 HydrophobicContact CD1-CG 4.4Å
254	D	94.4	Very high	91.3	Very high	9 Å²	9	45.5 Å²	45.5	5%	0.048	27%	0.274	C	S	.	.			trans	-124.3	104.3	169.8	169.7	17	0	0	0	107.5	F252 G256 A262 P345 R346 S347	F252-D254 HydrophobicContact CE1-CB 3.89Å; F252-D254 HydrophobicContact CE2-CB 4.2Å; F252-D254 HydrophobicContact CZ-CB 3.5Å; D254-G256 PolarHBondContact OD1-N 2.87Å; D254-A262 HydrophobicContact CB-CB 4.28Å; D254-P345 VanDerWaalsContact OD2-CB 3.23Å; D254-P345 WeakPolarHBondContact OD2-CB 3.36Å; D254-R346 WeakPolarHBondContact O-CD 3.44Å; D254-R346 PolarHBondContact OD2-N 2.97Å; D254-S347 WeakPolarHBondContact OD1-CB 3.46Å; D254-S347 PolarHBondContact OD1-OG 3.01Å; D254-S347 VanDerWaalsContact OD2-CB 3.27Å; D254-S347 WeakPolarHBondContact OD2-CB 3.48Å; D254-S347 PolarHBondContact OD2-N 2.87Å; D254-S347 PolarHBondContact OD2-OG 3.19Å
255	D	89.3	Confident	91.3	Very high	113 Å²	113	48.3 Å²	48.3	60%	0.604	29%	0.286	S	S	*	.			trans	-112.5	7.4	179.1	61.9	5.6	0	0	0	112.3	S257	D255-S257 PolarHBondContact O-N 2.93Å; D255-S257 WeakPolarHBondContact OD1-CB 3.28Å; D255-S257 PolarHBondContact OD1-N 3.4Å; D255-S257 PolarHBondContact OD1-OG 3.1Å
256	G	84.7	Confident	91.5	Very high	51 Å²	51	45.4 Å²	45.4	53%	0.526	27%	0.27	S	S	.	.	S	Bend	trans	72.1	1.9	-175.8	0	0	0	0	0	115.7	D254 I258	D254-G256 PolarHBondContact OD1-N 2.87Å; G256-I258 PolarHBondContact O-N 2.91Å
257	S	86.4	Confident	91.9	Very high	78 Å²	78	39.7 Å²	39.7	55%	0.545	25%	0.249	S	C	.	.	S	Bend	trans	-67.3	-24.3	-179.9	63.3	0	0	0	0	113.6	D255	D255-S257 PolarHBondContact O-N 2.93Å; D255-S257 WeakPolarHBondContact OD1-CB 3.28Å; D255-S257 PolarHBondContact OD1-N 3.4Å; D255-S257 PolarHBondContact OD1-OG 3.1Å
258	I	88.3	Confident	92.3	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.077	25%	0.254	C	S	.	.	S	Bend	trans	-118.5	107.5	-178.5	-53.7	-175	0	0	0	108.7	G256 G260 G261 V263 A405	G256-I258 PolarHBondContact O-N 2.91Å; I258-G260 PolarHBondContact O-N 3.47Å; I258-G260 VanDerWaalsContact O-N 3.08Å; I258-G261 PolarHBondContact O-N 3.33Å; I258-G261 VanDerWaalsContact O-O 3.1Å; I258-V263 HydrophobicContact CD1-CG1 3.91Å; I258-A405 HydrophobicContact CD1-CB 3.43Å; I258-A405 VanDerWaalsContact CD1-CB 3.43Å; I258-A405 HydrophobicContact CG2-CB 4.1Å
259	P	90.1	Very high	92.4	Very high	52 Å²	52	40.2 Å²	40.2	34%	0.338	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	116.1	-178	-27.6	35.8	0	0	0	112.5	G261 Y393 L528	P259-G261 PolarHBondContact O-N 3.03Å; P259-Y393 HydrophobicContact CB-CD1 3.89Å; P259-Y393 HydrophobicContact CB-CD2 4.28Å; P259-Y393 HydrophobicContact CB-CE1 4.2Å; P259-Y393 HydrophobicContact CB-CG 3.93Å; P259-Y393 HydrophobicContact CG-CD1 4.07Å; P259-Y393 HydrophobicContact CG-CG 4.33Å; P259-L528 HydrophobicContact CB-CD1 4.07Å
260	G	92.5	Very high	92.5	Very high	14 Å²	14	48.6 Å²	48.6	14%	0.144	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	12.1	-178.5	0	0	0	0	0	115	I258 L408	I258-G260 PolarHBondContact O-N 3.47Å; I258-G260 VanDerWaalsContact O-N 3.08Å; G260-L408 PolarHBondContact O-N 3Å
261	G	93.1	Very high	92.4	Very high	2 Å²	2	52 Å²	52	2%	0.021	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	167.3	179.3	0	0	0	0	0	113.2	I258 P259 W406	I258-G261 PolarHBondContact O-N 3.33Å; I258-G261 VanDerWaalsContact O-O 3.1Å; P259-G261 PolarHBondContact O-N 3.03Å; G261-W406 CarbonylContact C-O 3.57Å; G261-W406 WeakPolarHBondContact CA-O 3.37Å
262	A	95	Very high	92.4	Very high	3 Å²	3	51.6 Å²	51.6	3%	0.025	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	167.2	178.9	0	0	0	0	0	110.1	F252 I253 D254 L386 W406 L408	F252-A262 HydrophobicContact CD2-CB 4.03Å; F252-A262 HydrophobicContact CE2-CB 3.37Å; F252-A262 HydrophobicContact CZ-CB 4.17Å; I253-A262 WeakPolarHBondContact O-CB 3.12Å; D254-A262 HydrophobicContact CB-CB 4.28Å; A262-L386 HydrophobicContact CB-CD2 4.17Å; A262-W406 PolarHBondContact N-O 2.95Å; A262-W406 PolarHBondContact O-N 2.91Å; A262-L408 HydrophobicContact CB-CD2 4.01Å; A262-L408 HydrophobicContact CB-CG 4.49Å
263	V	95.2	Very high	92.4	Very high	26 Å²	26	54 Å²	54	16%	0.158	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146.9	177.6	-58.7	0	0	0	0	111.8	I253 I258 Y286 A405	I253-V263 HydrophobicContact CB-CG2 3.85Å; I253-V263 HydrophobicContact CG2-CG2 4.3Å; I253-V263 PolarHBondContact N-O 3.39Å; I253-V263 PolarHBondContact O-N 3.38Å; I258-V263 HydrophobicContact CD1-CG1 3.91Å; V263-Y286 HydrophobicContact CB-CD1 4.03Å; V263-Y286 HydrophobicContact CB-CE1 4.33Å; V263-Y286 HydrophobicContact CG2-CD1 3.96Å; V263-Y286 HydrophobicContact CG2-CE1 3.78Å; V263-A405 HydrophobicContact CG1-CB 4.17Å
264	L	96	Very high	92.3	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	116.7	172.7	-72.1	175.4	0	0	0	108.4	M247 F250 N251 F252 Y286 L287 F338 L386 W406	M247-L264 HydrophobicContact CE-CD2 4.17Å; M247-L264 HydrophobicContact SD-CD2 3.65Å; F250-L264 HydrophobicContact CB-CB 4.03Å; F250-L264 HydrophobicContact CB-CD2 4.26Å; F250-L264 HydrophobicContact CG-CB 4.28Å; N251-L264 WeakPolarHBondContact O-CA 3.28Å; F252-L264 HydrophobicContact CB-CD2 4.36Å; L264-Y286 CarbonylContact O-C 3.53Å; L264-Y286 VanDerWaalsContact O-CA 3.27Å; L264-Y286 WeakPolarHBondContact O-CA 3.38Å; L264-L287 HydrophobicContact CB-CB 4.03Å; L264-L287 HydrophobicContact CD1-CD2 4.1Å; L264-L287 PolarHBondContact O-N 3.35Å; L264-F338 HydrophobicContact CD1-CD2 3.61Å; L264-F338 HydrophobicContact CD1-CE2 3.81Å; L264-L386 HydrophobicContact CD1-CD1 3.99Å; L264-L386 HydrophobicContact CD2-CD1 3.77Å; L264-L386 HydrophobicContact CG-CD1 3.96Å; L264-W406 HydrophobicContact CD1-CD2 4.38Å; L264-W406 HydrophobicContact CD1-CG 4.5Å
265	K	95.1	Very high	92.3	Very high	75 Å²	75	58 Å²	58	33%	0.326	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.6	-176.1	-166.9	-179.2	-169.5	162.2	0	111.4	F250 N251 I253 S267 Y286	F250-K265 CarbonylContact C-O 3.56Å; F250-K265 WeakPolarHBondContact CA-O 3.37Å; N251-K265 PolarHBondContact N-O 3.44Å; N251-K265 PolarHBondContact O-N 2.85Å; I253-K265 HydrophobicContact CD1-CB 3.64Å; I253-K265 HydrophobicContact CD1-CD 3.86Å; I253-K265 HydrophobicContact CD1-CG 4.4Å; K265-S267 PolarHBondContact O-N 3.21Å; K265-Y286 HydrophobicContact CB-CD1 3.75Å; K265-Y286 HydrophobicContact CB-CE1 3.76Å; K265-Y286 HydrophobicContact CD-CD1 4.25Å; K265-Y286 HydrophobicContact CD-CE1 3.53Å; K265-Y286 HydrophobicContact CG-CD1 3.83Å; K265-Y286 HydrophobicContact CG-CE1 3.64Å; K265-Y286 PolarHBondContact NZ-OH 3.11Å; K265-Y286 VanDerWaalsContact NZ-OH 3.09Å
266	L	95.3	Very high	92.5	Very high	19 Å²	19	56.6 Å²	56.6	10%	0.099	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	130.9	176.1	-75.8	175.6	0	0	0	111.3	V249 F250 R272 I281 G285	V249-L266 HydrophobicContact CG2-CD2 3.7Å; F250-L266 HydrophobicContact CD1-CD2 3.93Å; F250-L266 HydrophobicContact CD1-CG 4.17Å; F250-L266 HydrophobicContact CE1-CD2 3.52Å; F250-L266 HydrophobicContact CE1-CG 3.77Å; F250-L266 HydrophobicContact CZ-CD2 4.04Å; L266-R272 HydrophobicContact CD1-CB 3.77Å; L266-R272 HydrophobicContact CD1-CG 4.23Å; L266-I281 HydrophobicContact CD1-CD1 4.27Å; L266-I281 HydrophobicContact CD1-CG2 4.03Å; L266-I281 HydrophobicContact CD2-CD1 4.17Å; L266-I281 HydrophobicContact CG-CD1 4.44Å; L266-I281 HydrophobicContact CG-CG2 4.39Å; L266-G285 PolarHBondContact N-O 3Å
267	S	92.9	Very high	93	Very high	52 Å²	52	54.2 Å²	54.2	36%	0.364	30%	0.297	S	S	.	.	S	Bend	trans	-65.8	-38.3	173.9	51.9	0	0	0	0	112.8	V249 K265	V249-S267 WeakPolarHBondContact O-CB 3.36Å; V249-S267 PolarHBondContact O-N 3.01Å; V249-S267 PolarHBondContact O-OG 3.43Å; K265-S267 PolarHBondContact O-N 3.21Å
268	D	92.5	Very high	93.4	Very high	53 Å²	53	53.6 Å²	53.6	28%	0.283	29%	0.289	S	S	.	.			trans	-140.2	133.8	168.3	-179	-8.6	0	0	0	108.2	R270 K271	D268-R270 PolarHBondContact O-N 2.84Å; D268-R270 WeakPolarHBondContact OD1-CG 3.42Å; D268-R270 PolarHBondContact OD1-N 3.42Å; D268-R270 IonicContact OD1-NH1 3.89Å; D268-R270 PolarHBondContact OD1-NH1 3.01Å; D268-R270 IonicContact OD2-CZ 3.36Å; D268-R270 IonicContact OD2-NH1 3.25Å; D268-R270 PolarHBondContact OD2-NH1 3.14Å; D268-K271 HydrophobicContact CB-CD 4.33Å; D268-K271 HydrophobicContact CB-CG 4.21Å; D268-K271 WeakPolarHBondContact O-CB 3.23Å; D268-K271 PolarHBondContact O-N 3.39Å
269	G	90.7	Very high	93.7	Very high	52 Å²	52	56.9 Å²	56.9	54%	0.536	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-57.7	-28	174.8	0	0	0	0	0	113.6	K271 R272	G269-K271 PolarHBondContact O-N 3.3Å; G269-R272 VanDerWaalsContact O-CB 3.24Å; G269-R272 WeakPolarHBondContact O-CB 3.5Å; G269-R272 PolarHBondContact O-N 3.01Å
270	R	92.8	Very high	94	Very high	202 Å²	202	54.9 Å²	54.9	76%	0.762	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-63.1	-27.5	174.2	-61.5	179.5	-168.1	85.6	-0.5	113	D268 R272	D268-R270 PolarHBondContact O-N 2.84Å; D268-R270 WeakPolarHBondContact OD1-CG 3.42Å; D268-R270 PolarHBondContact OD1-N 3.42Å; D268-R270 IonicContact OD1-NH1 3.89Å; D268-R270 PolarHBondContact OD1-NH1 3.01Å; D268-R270 IonicContact OD2-CZ 3.36Å; D268-R270 IonicContact OD2-NH1 3.25Å; D268-R270 PolarHBondContact OD2-NH1 3.14Å; R270-R272 PolarHBondContact O-N 3.16Å
271	K	92.6	Very high	94.2	Very high	82 Å²	82	54.6 Å²	54.6	36%	0.357	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-80.8	1.6	178.4	-61.3	-179.8	-178	178.5	0	113.3	V249 D268 G269 S273 M274	V249-K271 HydrophobicContact CB-CB 4.11Å; V249-K271 HydrophobicContact CB-CD 4.25Å; V249-K271 HydrophobicContact CG1-CB 4.09Å; V249-K271 HydrophobicContact CG1-CD 4.03Å; V249-K271 HydrophobicContact CG2-CB 4.38Å; D268-K271 HydrophobicContact CB-CD 4.33Å; D268-K271 HydrophobicContact CB-CG 4.21Å; D268-K271 WeakPolarHBondContact O-CB 3.23Å; D268-K271 PolarHBondContact O-N 3.39Å; G269-K271 PolarHBondContact O-N 3.3Å; K271-S273 VanDerWaalsContact C-N 3.31Å; K271-S273 PolarHBondContact O-N 3.04Å; K271-M274 HydrophobicContact CB-SD 4.13Å; K271-M274 HydrophobicContact CG-SD 3.95Å; K271-M274 WeakPolarHBondContact O-CB 3.21Å; K271-M274 PolarHBondContact O-N 2.92Å
272	R	94.9	Very high	94.2	Very high	80 Å²	80	55.3 Å²	55.3	30%	0.302	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-51.1	-47.2	-179.2	177.5	-177.8	-75.6	-97.4	3.2	112.5	L266 G269 R270 M274 S275 V278 I281 T282 A283	L266-R272 HydrophobicContact CD1-CB 3.77Å; L266-R272 HydrophobicContact CD1-CG 4.23Å; G269-R272 VanDerWaalsContact O-CB 3.24Å; G269-R272 WeakPolarHBondContact O-CB 3.5Å; G269-R272 PolarHBondContact O-N 3.01Å; R270-R272 PolarHBondContact O-N 3.16Å; R272-M274 VanDerWaalsContact C-N 3.27Å; R272-M274 PolarHBondContact O-N 3.38Å; R272-S275 WeakPolarHBondContact O-CB 3.42Å; R272-S275 PolarHBondContact O-N 3.46Å; R272-V278 HydrophobicContact CG-CG2 4.13Å; R272-V278 WeakPolarHBondContact O-CG2 3.3Å; R272-I281 HydrophobicContact CG-CD1 4.11Å; R272-T282 PolarHBondContact NH1-O 2.85Å; R272-T282 VanDerWaalsContact NH1-O 3.14Å; R272-T282 PolarHBondContact NH2-O 3.31Å; R272-A283 PolarHBondContact NH2-O 3.19Å; R272-A283 VanDerWaalsContact NH2-O 3.08Å
273	S	93.6	Very high	94.2	Very high	101 Å²	101	60 Å²	60	71%	0.706	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-73.9	-12.5	-179.6	49.7	0	0	0	0	114.4	K271 S275	K271-S273 VanDerWaalsContact C-N 3.31Å; K271-S273 PolarHBondContact O-N 3.04Å; S273-S275 VanDerWaalsContact C-N 3.32Å
274	M	92.1	Very high	94	Very high	139 Å²	139	62.9 Å²	62.9	69%	0.685	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-84.2	-9.1	174.3	-55.8	177.4	68.1	0	0	112.5	K271 R272	K271-M274 HydrophobicContact CB-SD 4.13Å; K271-M274 HydrophobicContact CG-SD 3.95Å; K271-M274 WeakPolarHBondContact O-CB 3.21Å; K271-M274 PolarHBondContact O-N 2.92Å; R272-M274 VanDerWaalsContact C-N 3.27Å; R272-M274 PolarHBondContact O-N 3.38Å
275	S	94.2	Very high	93.9	Very high	10 Å²	10	63.2 Å²	63.2	7%	0.07	35%	0.353	C	S	.	.			trans	-79.7	131.1	-179.9	-171.3	0	0	0	0	111.3	F250 R272 S273 W277 V278	F250-S275 VanDerWaalsContact CE2-OG 3.3Å; F250-S275 WeakPolarHBondContact CE2-OG 3.47Å; F250-S275 WeakPolarHBondContact CZ-OG 3.27Å; R272-S275 WeakPolarHBondContact O-CB 3.42Å; R272-S275 PolarHBondContact O-N 3.46Å; S273-S275 VanDerWaalsContact C-N 3.32Å; S275-W277 PolarHBondContact O-N 3.43Å; S275-W277 PolarHBondContact OG-N 2.87Å; S275-V278 PolarHBondContact O-N 3.21Å
276	L	94.3	Very high	93.9	Very high	83 Å²	83	63.1 Å²	63.1	44%	0.435	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.7	169.2	-171.6	63.2	0	0	0	113	R141 N245	R141-L276 WeakPolarHBondContact CD-O 3.46Å; R141-L276 HydrophobicContact CG-CD1 3.86Å; R141-L276 HydrophobicContact CG-CD2 4.25Å; R141-L276 HydrophobicContact CG-CG 3.99Å; R141-L276 PolarHBondContact NH1-O 2.93Å; N245-L276 HydrophobicContact CB-CD2 3.96Å
277	W	95.5	Very high	94	Very high	1 Å²	1	62.3 Å²	62.3	0%	0.004	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	24.4	-171.9	-49.2	107.1	0	0	0	112.5	R141 F142 L244 N245 S275 E279 F280 L287 I292 F338	R141-W277 HydrophobicContact CB-CH2 4.01Å; R141-W277 HydrophobicContact CB-CZ3 4Å; F142-W277 HydrophobicContact CE1-CZ3 4.49Å; L244-W277 HydrophobicContact CB-CH2 3.99Å; L244-W277 HydrophobicContact CB-CZ2 3.79Å; L244-W277 HydrophobicContact CD1-CH2 4.16Å; L244-W277 HydrophobicContact CD1-CZ2 4.38Å; L244-W277 HydrophobicContact CD1-CZ3 4.47Å; L244-W277 HydrophobicContact CD2-CH2 3.98Å; L244-W277 HydrophobicContact CG-CH2 4.26Å; L244-W277 HydrophobicContact CG-CZ2 4.49Å; N245-W277 HydrophobicContact CB-CZ2 4.37Å; S275-W277 PolarHBondContact O-N 3.43Å; S275-W277 PolarHBondContact OG-N 2.87Å; W277-E279 VanDerWaalsContact C-N 3.31Å; W277-E279 PolarHBondContact O-N 3.36Å; W277-F280 HydrophobicContact CB-CD2 4.02Å; W277-F280 HydrophobicContact CE3-CD2 4.06Å; W277-F280 AromaticContact CE3-CE2 3.99Å; W277-F280 HydrophobicContact CE3-CE2 3.99Å; W277-F280 WeakPolarHBondContact O-CB 3.37Å; W277-F280 PolarHBondContact O-N 3.23Å; W277-L287 HydrophobicContact CB-CD1 3.61Å; W277-L287 HydrophobicContact CB-CD2 4.42Å; W277-L287 HydrophobicContact CG-CD1 4.46Å; W277-L287 HydrophobicContact CG-CD2 4.5Å; W277-I292 HydrophobicContact CD2-CD1 4.46Å; W277-I292 HydrophobicContact CE3-CD1 4.2Å; W277-F338 HydrophobicContact CD2-CZ 4.48Å; W277-F338 HydrophobicContact CZ2-CE1 4.24Å; W277-F338 AromaticContact NE1-CE1 3.67Å; W277-F338 AromaticContact NE1-CZ 3.75Å
278	V	95.4	Very high	94.1	Very high	64 Å²	64	59.8 Å²	59.8	39%	0.388	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-52.6	-38.2	-167.1	61.4	0	0	0	0	114.9	R272 S275 F280 I281	R272-V278 HydrophobicContact CG-CG2 4.13Å; R272-V278 WeakPolarHBondContact O-CG2 3.3Å; S275-V278 PolarHBondContact O-N 3.21Å; V278-F280 VanDerWaalsContact C-N 3.29Å; V278-F280 PolarHBondContact O-N 2.91Å; V278-I281 PolarHBondContact O-N 3.12Å
279	E	95	Very high	94.3	Very high	85 Å²	85	57.3 Å²	57.3	40%	0.397	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-73	-21.9	-179.4	73.4	-87	-133.9	0	0	113.4	R141 W277 I281	R141-E279 IonicContact CZ-OE1 3.2Å; R141-E279 VanDerWaalsContact NH1-CD 3.27Å; R141-E279 IonicContact NH1-OE1 3.12Å; R141-E279 PolarHBondContact NH1-OE1 3.22Å; R141-E279 IonicContact NH1-OE2 2.97Å; R141-E279 PolarHBondContact NH1-OE2 3.21Å; R141-E279 IonicContact NH2-OE1 2.88Å; R141-E279 PolarHBondContact NH2-OE1 3.28Å; W277-E279 VanDerWaalsContact C-N 3.31Å; W277-E279 PolarHBondContact O-N 3.36Å; E279-I281 VanDerWaalsContact C-N 3.31Å
280	F	95.8	Very high	94.5	Very high	10 Å²	10	60.4 Å²	60.4	4%	0.044	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-86.1	-4.7	178.8	-49.8	-63.2	0	0	0	112.5	W277 V278 L287 S288 K291 I292 R295	W277-F280 HydrophobicContact CB-CD2 4.02Å; W277-F280 HydrophobicContact CE3-CD2 4.06Å; W277-F280 AromaticContact CE3-CE2 3.99Å; W277-F280 HydrophobicContact CE3-CE2 3.99Å; W277-F280 WeakPolarHBondContact O-CB 3.37Å; W277-F280 PolarHBondContact O-N 3.23Å; V278-F280 VanDerWaalsContact C-N 3.29Å; V278-F280 PolarHBondContact O-N 2.91Å; F280-L287 HydrophobicContact CB-CD1 3.78Å; F280-S288 WeakPolarHBondContact O-CB 3.06Å; F280-S288 PolarHBondContact O-N 3.49Å; F280-K291 HydrophobicContact CB-CB 4.32Å; F280-K291 HydrophobicContact CD1-CB 3.91Å; F280-I292 HydrophobicContact CB-CD1 4.29Å; F280-I292 HydrophobicContact CB-CG1 3.76Å; F280-I292 HydrophobicContact CD1-CG1 3.94Å; F280-I292 HydrophobicContact CD2-CD1 4.19Å; F280-I292 HydrophobicContact CD2-CG1 3.66Å; F280-I292 HydrophobicContact CE1-CG1 4.5Å; F280-I292 HydrophobicContact CE2-CG1 4.25Å; F280-I292 HydrophobicContact CG-CD1 4.3Å; F280-I292 HydrophobicContact CG-CG1 3.48Å; F280-I292 VanDerWaalsContact CG-CG1 3.48Å; F280-R295 HydrophobicContact CE1-CB 3.71Å; F280-R295 HydrophobicContact CE1-CG 3.98Å; F280-R295 HydrophobicContact CZ-CB 4.13Å; F280-R295 HydrophobicContact CZ-CG 3.92Å
281	I	95.5	Very high	94.6	Very high	7 Å²	7	55 Å²	55	4%	0.036	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-79.2	128.6	178.3	-50.6	176.9	0	0	0	110.1	F250 L266 R272 V278 E279 Y286 L287	F250-I281 HydrophobicContact CE1-CD1 4.02Å; F250-I281 HydrophobicContact CE1-CG1 4.11Å; F250-I281 HydrophobicContact CZ-CD1 3.65Å; F250-I281 HydrophobicContact CZ-CG1 3.8Å; L266-I281 HydrophobicContact CD1-CD1 4.27Å; L266-I281 HydrophobicContact CD1-CG2 4.03Å; L266-I281 HydrophobicContact CD2-CD1 4.17Å; L266-I281 HydrophobicContact CG-CD1 4.44Å; L266-I281 HydrophobicContact CG-CG2 4.39Å; R272-I281 HydrophobicContact CG-CD1 4.11Å; V278-I281 PolarHBondContact O-N 3.12Å; E279-I281 VanDerWaalsContact C-N 3.31Å; I281-Y286 CarbonylContact C-O 3.6Å; I281-Y286 WeakPolarHBondContact CA-O 3.48Å; I281-L287 HydrophobicContact CG1-CD1 4.27Å
282	T	94.8	Very high	94.8	Very high	17 Å²	17	51 Å²	51	10%	0.104	28%	0.277	C	S	.	.			trans	-69	167.6	175.5	64.3	0	0	0	0	111.9	R272 S284 G285 Y286 D404	R272-T282 PolarHBondContact NH1-O 2.85Å; R272-T282 VanDerWaalsContact NH1-O 3.14Å; R272-T282 PolarHBondContact NH2-O 3.31Å; T282-S284 PolarHBondContact O-N 2.83Å; T282-G285 PolarHBondContact O-N 2.77Å; T282-G285 VanDerWaalsContact O-N 3.11Å; T282-G285 PolarHBondContact OG1-N 2.82Å; T282-Y286 PolarHBondContact N-O 3.04Å; T282-Y286 PolarHBondContact OG1-N 2.73Å; T282-Y286 PolarHBondContact OG1-O 2.69Å; T282-D404 VanDerWaalsContact CG2-OD2 3.24Å; T282-D404 WeakPolarHBondContact CG2-OD2 3.29Å
283	A	93.2	Very high	94.9	Very high	101 Å²	101	47.6 Å²	47.6	84%	0.835	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-43.1	173	0	0	0	0	0	111.1	R272 G285	R272-A283 PolarHBondContact NH2-O 3.19Å; R272-A283 VanDerWaalsContact NH2-O 3.08Å; A283-G285 PolarHBondContact O-N 2.71Å; A283-G285 VanDerWaalsContact O-N 3.14Å
284	S	92.4	Very high	95	Very high	87 Å²	87	46.4 Å²	46.4	61%	0.608	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	0.4	178.1	-43.8	0	0	0	0	115.4	T282	T282-S284 PolarHBondContact O-N 2.83Å
285	G	94.4	Very high	95.2	Very high	8 Å²	8	44 Å²	44	8%	0.082	24%	0.239	C	C	.	.	S	Bend	trans	86.2	15.3	173.2	0	0	0	0	0	115.8	L266 T282 A283	L266-G285 PolarHBondContact N-O 3Å; T282-G285 PolarHBondContact O-N 2.77Å; T282-G285 VanDerWaalsContact O-N 3.11Å; T282-G285 PolarHBondContact OG1-N 2.82Å; A283-G285 PolarHBondContact O-N 2.71Å; A283-G285 VanDerWaalsContact O-N 3.14Å
286	Y	95.1	Very high	95.4	Very high	73 Å²	73	43.6 Å²	43.6	29%	0.286	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-90.7	141.8	174	-59.8	-74.6	0	0	0	111.3	V263 L264 K265 I281 T282 S288	V263-Y286 HydrophobicContact CB-CD1 4.03Å; V263-Y286 HydrophobicContact CB-CE1 4.33Å; V263-Y286 HydrophobicContact CG2-CD1 3.96Å; V263-Y286 HydrophobicContact CG2-CE1 3.78Å; L264-Y286 CarbonylContact O-C 3.53Å; L264-Y286 VanDerWaalsContact O-CA 3.27Å; L264-Y286 WeakPolarHBondContact O-CA 3.38Å; K265-Y286 HydrophobicContact CB-CD1 3.75Å; K265-Y286 HydrophobicContact CB-CE1 3.76Å; K265-Y286 HydrophobicContact CD-CD1 4.25Å; K265-Y286 HydrophobicContact CD-CE1 3.53Å; K265-Y286 HydrophobicContact CG-CD1 3.83Å; K265-Y286 HydrophobicContact CG-CE1 3.64Å; K265-Y286 PolarHBondContact NZ-OH 3.11Å; K265-Y286 VanDerWaalsContact NZ-OH 3.09Å; I281-Y286 CarbonylContact C-O 3.6Å; I281-Y286 WeakPolarHBondContact CA-O 3.48Å; T282-Y286 PolarHBondContact N-O 3.04Å; T282-Y286 PolarHBondContact OG1-N 2.73Å; T282-Y286 PolarHBondContact OG1-O 2.69Å; Y286-S288 PolarHBondContact O-N 3.13Å
287	L	96.2	Very high	95.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-81.6	109.5	170.4	-176.9	63.2	0	0	0	109.9	F250 L264 W277 F280 I281 A289 I292 F338 W406	F250-L287 HydrophobicContact CD1-CB 4.08Å; F250-L287 HydrophobicContact CD2-CD2 4.05Å; F250-L287 HydrophobicContact CE1-CB 3.72Å; F250-L287 HydrophobicContact CE2-CB 4.19Å; F250-L287 HydrophobicContact CE2-CD1 4.31Å; F250-L287 HydrophobicContact CE2-CD2 3.73Å; F250-L287 HydrophobicContact CE2-CG 4.3Å; F250-L287 HydrophobicContact CG-CB 4.49Å; F250-L287 HydrophobicContact CZ-CB 3.8Å; F250-L287 HydrophobicContact CZ-CD1 3.98Å; F250-L287 HydrophobicContact CZ-CD2 4.12Å; F250-L287 HydrophobicContact CZ-CG 4.18Å; L264-L287 HydrophobicContact CB-CB 4.03Å; L264-L287 HydrophobicContact CD1-CD2 4.1Å; L264-L287 PolarHBondContact O-N 3.35Å; W277-L287 HydrophobicContact CB-CD1 3.61Å; W277-L287 HydrophobicContact CB-CD2 4.42Å; W277-L287 HydrophobicContact CG-CD1 4.46Å; W277-L287 HydrophobicContact CG-CD2 4.5Å; F280-L287 HydrophobicContact CB-CD1 3.78Å; I281-L287 HydrophobicContact CG1-CD1 4.27Å; L287-A289 PolarHBondContact O-N 2.85Å; L287-I292 HydrophobicContact CD1-CD1 4.07Å; L287-I292 HydrophobicContact CD2-CD1 4.27Å; L287-I292 HydrophobicContact CG-CD1 4.2Å; L287-F338 HydrophobicContact CD2-CE2 3.52Å; L287-F338 HydrophobicContact CD2-CZ 3.72Å; L287-W406 HydrophobicContact CD2-CZ2 4.08Å; L287-W406 HydrophobicContact CG-CZ2 4.12Å; L287-W406 PolarHBondContact O-NE1 2.66Å
288	S	95.6	Very high	95.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.			trans	-75.8	115.8	-175.2	170.8	0	0	0	0	112.2	F280 Y286 R290 K291 I292 D404	F280-S288 WeakPolarHBondContact O-CB 3.06Å; F280-S288 PolarHBondContact O-N 3.49Å; Y286-S288 PolarHBondContact O-N 3.13Å; S288-R290 PolarHBondContact OG-N 3.17Å; S288-K291 PolarHBondContact O-N 3.28Å; S288-K291 WeakPolarHBondContact OG-CG 3.14Å; S288-K291 PolarHBondContact OG-N 3.16Å; S288-I292 PolarHBondContact O-N 3.09Å; S288-D404 WeakPolarHBondContact CB-OD1 3.01Å; S288-D404 PolarHBondContact OG-OD1 3.15Å
289	A	96.1	Very high	95.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-55.4	-51	168.9	0	0	0	0	0	111.3	L287 K291 I292 R293 S388 D404 A405 W406	L287-A289 PolarHBondContact O-N 2.85Å; A289-K291 PolarHBondContact O-N 2.91Å; A289-I292 PolarHBondContact O-N 2.59Å; A289-R293 PolarHBondContact O-N 3.37Å; A289-S388 PolarHBondContact O-OG 3.09Å; A289-D404 PolarHBondContact N-O 3.18Å; A289-A405 WeakPolarHBondContact CB-O 3.19Å; A289-W406 HydrophobicContact CB-CD2 3.82Å; A289-W406 HydrophobicContact CB-CE3 4.32Å; A289-W406 HydrophobicContact CB-CG 4.06Å; A289-W406 HydrophobicContact CB-CZ2 4.1Å
290	R	94.7	Very high	95.8	Very high	117 Å²	117	37.6 Å²	37.6	44%	0.442	21%	0.207	S	C	.	.	H	α-helix	trans	-55.7	-42.8	179.1	171.3	-170.1	-67.1	-174.8	-7	113.2	S288 R293 S294 G403	S288-R290 PolarHBondContact OG-N 3.17Å; R290-R293 PolarHBondContact O-N 3.43Å; R290-S294 VanDerWaalsContact O-CB 3.28Å; R290-S294 WeakPolarHBondContact O-CB 3.31Å; R290-S294 PolarHBondContact O-N 3.43Å; R290-G403 WeakPolarHBondContact CB-O 3.39Å; R290-G403 VanDerWaalsContact NH2-CA 3.29Å
291	K	95.7	Very high	95.9	Very high	88 Å²	88	38.2 Å²	38.2	38%	0.383	22%	0.216	S	C	.	.	H	α-helix	trans	-65.3	-43.3	177.9	-71.5	-176.3	177.1	-172.9	0	111.8	F280 S288 A289 S294 R295	F280-K291 HydrophobicContact CB-CB 4.32Å; F280-K291 HydrophobicContact CD1-CB 3.91Å; S288-K291 PolarHBondContact O-N 3.28Å; S288-K291 WeakPolarHBondContact OG-CG 3.14Å; S288-K291 PolarHBondContact OG-N 3.16Å; A289-K291 PolarHBondContact O-N 2.91Å; K291-S294 PolarHBondContact O-N 2.99Å; K291-R295 PolarHBondContact O-N 2.9Å
292	I	96.8	Very high	95.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-49.1	174.9	-75.4	179.8	0	0	0	110.5	F142 L244 W277 F280 L287 S288 A289 S294 R295 F296 P336 W406	F142-I292 HydrophobicContact CE1-CG2 4.15Å; F142-I292 HydrophobicContact CZ-CG2 4.27Å; L244-I292 HydrophobicContact CD1-CD1 4.37Å; L244-I292 HydrophobicContact CD1-CG2 4.05Å; W277-I292 HydrophobicContact CD2-CD1 4.46Å; W277-I292 HydrophobicContact CE3-CD1 4.2Å; F280-I292 HydrophobicContact CB-CD1 4.29Å; F280-I292 HydrophobicContact CB-CG1 3.76Å; F280-I292 HydrophobicContact CD1-CG1 3.94Å; F280-I292 HydrophobicContact CD2-CD1 4.19Å; F280-I292 HydrophobicContact CD2-CG1 3.66Å; F280-I292 HydrophobicContact CE1-CG1 4.5Å; F280-I292 HydrophobicContact CE2-CG1 4.25Å; F280-I292 HydrophobicContact CG-CD1 4.3Å; F280-I292 HydrophobicContact CG-CG1 3.48Å; F280-I292 VanDerWaalsContact CG-CG1 3.48Å; L287-I292 HydrophobicContact CD1-CD1 4.07Å; L287-I292 HydrophobicContact CD2-CD1 4.27Å; L287-I292 HydrophobicContact CG-CD1 4.2Å; S288-I292 PolarHBondContact O-N 3.09Å; A289-I292 PolarHBondContact O-N 2.59Å; I292-S294 PolarHBondContact O-N 2.9Å; I292-R295 PolarHBondContact O-N 2.99Å; I292-F296 WeakPolarHBondContact O-CB 3.48Å; I292-F296 PolarHBondContact O-N 3.18Å; I292-P336 HydrophobicContact CG2-CB 4.1Å; I292-W406 HydrophobicContact CD1-CH2 3.83Å; I292-W406 HydrophobicContact CD1-CZ2 3.92Å
293	R	96.5	Very high	96	Very high	8 Å²	8	40.6 Å²	40.6	3%	0.03	23%	0.226	C	C	.	.	H	α-helix	trans	-60.2	-43.1	178.5	172.2	168.8	68.3	-107.8	16.4	112.4	A289 R290 F296 H297 S320 S388 Q389	A289-R293 PolarHBondContact O-N 3.37Å; R290-R293 PolarHBondContact O-N 3.43Å; R293-F296 PolarHBondContact O-N 3.34Å; R293-H297 VanDerWaalsContact O-CB 3.27Å; R293-H297 WeakPolarHBondContact O-CB 3.29Å; R293-H297 PolarHBondContact O-N 3.39Å; R293-S320 VanDerWaalsContact CD-O 3.31Å; R293-S320 WeakPolarHBondContact CD-O 3.38Å; R293-S320 WeakPolarHBondContact CG-O 3.38Å; R293-S320 PolarHBondContact NE-OG 2.76Å; R293-S388 WeakPolarHBondContact CB-OG 3.3Å; R293-S388 WeakPolarHBondContact CD-O 3.47Å; R293-S388 PolarHBondContact NH1-O 2.93Å; R293-S388 VanDerWaalsContact NH1-O 3.16Å; R293-S388 PolarHBondContact NH1-OG 3.03Å; R293-Q389 VanDerWaalsContact CZ-C 3.44Å; R293-Q389 VanDerWaalsContact CZ-O 3.29Å; R293-Q389 VanDerWaalsContact NH1-C 3.25Å; R293-Q389 PolarHBondContact NH1-O 3.01Å; R293-Q389 PolarHBondContact NH2-O 3.37Å; R293-Q389 VanDerWaalsContact NH2-O 3.09Å
294	S	95.3	Very high	96.2	Very high	75 Å²	75	36.4 Å²	36.4	52%	0.524	19%	0.189	S	C	.	.	H	α-helix	trans	-61.6	-46.1	177.4	-179.4	0	0	0	0	112.3	R290 K291 I292 H297 S298	R290-S294 VanDerWaalsContact O-CB 3.28Å; R290-S294 WeakPolarHBondContact O-CB 3.31Å; R290-S294 PolarHBondContact O-N 3.43Å; K291-S294 PolarHBondContact O-N 2.99Å; I292-S294 PolarHBondContact O-N 2.9Å; S294-H297 PolarHBondContact O-N 2.89Å; S294-S298 PolarHBondContact O-N 3.18Å; S294-S298 VanDerWaalsContact O-N 3.09Å
295	R	97	Very high	96.4	Very high	90 Å²	90	39.3 Å²	39.3	34%	0.34	19%	0.193	S	C	.	.	H	α-helix	trans	-62.9	-45.7	174.9	175.4	58.6	171.4	165.7	3	111.7	E139 F142 F280 K291 I292 H297 S298 L299	E139-R295 IonicContact OE2-CZ 3.34Å; E139-R295 IonicContact OE2-NE 3.52Å; E139-R295 IonicContact OE2-NH2 2.67Å; E139-R295 PolarHBondContact OE2-NH2 3.46Å; F142-R295 HydrophobicContact CE2-CG 4.43Å; F280-R295 HydrophobicContact CE1-CB 3.71Å; F280-R295 HydrophobicContact CE1-CG 3.98Å; F280-R295 HydrophobicContact CZ-CB 4.13Å; F280-R295 HydrophobicContact CZ-CG 3.92Å; K291-R295 PolarHBondContact O-N 2.9Å; I292-R295 PolarHBondContact O-N 2.99Å; R295-H297 PolarHBondContact O-N 3.36Å; R295-S298 WeakPolarHBondContact O-CB 3.43Å; R295-S298 PolarHBondContact O-N 3.36Å; R295-L299 HydrophobicContact CG-CD1 4.11Å; R295-L299 WeakPolarHBondContact O-CG 3.39Å; R295-L299 PolarHBondContact O-N 3.11Å
296	F	97.7	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-42.1	178.2	-176	-114.1	0	0	0	112.1	L132 V135 F142 L242 I292 R293 S298 L299 I300 V322 I334 P336	L132-F296 HydrophobicContact CD2-CE2 4.24Å; L132-F296 HydrophobicContact CD2-CZ 4Å; V135-F296 HydrophobicContact CG1-CD2 4.38Å; V135-F296 HydrophobicContact CG1-CE2 4.14Å; F142-F296 HydrophobicContact CB-CD2 4.46Å; F142-F296 HydrophobicContact CB-CE2 4.44Å; F142-F296 AromaticContact CD1-CD2 3.65Å; F142-F296 HydrophobicContact CD1-CD2 3.65Å; F142-F296 HydrophobicContact CD1-CE2 4.15Å; F142-F296 HydrophobicContact CD1-CG 4.45Å; F142-F296 HydrophobicContact CD2-CD2 4.23Å; F142-F296 HydrophobicContact CE1-CB 4.1Å; F142-F296 AromaticContact CE1-CD2 3.85Å; F142-F296 HydrophobicContact CE1-CD2 3.85Å; F142-F296 HydrophobicContact CE1-CG 4.24Å; F142-F296 HydrophobicContact CE2-CD2 4.42Å; F142-F296 AromaticContact CG-CD2 3.87Å; F142-F296 HydrophobicContact CG-CD2 3.87Å; F142-F296 HydrophobicContact CG-CE2 4.3Å; F142-F296 HydrophobicContact CZ-CB 4.01Å; F142-F296 HydrophobicContact CZ-CD2 4.24Å; L242-F296 HydrophobicContact CD2-CD2 4.23Å; L242-F296 HydrophobicContact CD2-CE1 4.42Å; L242-F296 HydrophobicContact CD2-CE2 3.4Å; L242-F296 HydrophobicContact CD2-CZ 3.52Å; I292-F296 WeakPolarHBondContact O-CB 3.48Å; I292-F296 PolarHBondContact O-N 3.18Å; R293-F296 PolarHBondContact O-N 3.34Å; F296-S298 VanDerWaalsContact C-N 3.35Å; F296-S298 PolarHBondContact O-N 3.5Å; F296-L299 PolarHBondContact O-N 3.2Å; F296-L299 VanDerWaalsContact O-N 3.17Å; F296-I300 HydrophobicContact CD1-CG1 4.28Å; F296-I300 HydrophobicContact CD2-CG1 4.34Å; F296-I300 HydrophobicContact CE1-CD1 4.21Å; F296-I300 HydrophobicContact CE1-CG1 3.92Å; F296-I300 HydrophobicContact CE2-CD1 4Å; F296-I300 HydrophobicContact CE2-CG1 3.98Å; F296-I300 HydrophobicContact CG-CG1 4.47Å; F296-I300 HydrophobicContact CZ-CD1 3.64Å; F296-I300 HydrophobicContact CZ-CG1 3.75Å; F296-I300 VanDerWaalsContact O-CG1 3.3Å; F296-I300 WeakPolarHBondContact O-CG1 3.34Å; F296-I300 PolarHBondContact O-N 3.47Å; F296-V322 HydrophobicContact CD1-CB 4.35Å; F296-V322 HydrophobicContact CD1-CG2 3.53Å; F296-V322 HydrophobicContact CE1-CB 4.21Å; F296-V322 HydrophobicContact CE1-CG1 4.34Å; F296-V322 HydrophobicContact CE1-CG2 3.87Å; F296-I334 HydrophobicContact CE1-CB 4.05Å; F296-I334 HydrophobicContact CE1-CG2 3.78Å; F296-I334 HydrophobicContact CZ-CB 4.32Å; F296-I334 HydrophobicContact CZ-CG2 3.7Å; F296-P336 HydrophobicContact CB-CG 4.1Å; F296-P336 HydrophobicContact CD1-CG 3.37Å; F296-P336 HydrophobicContact CD2-CG 4.5Å; F296-P336 HydrophobicContact CE1-CG 3.87Å; F296-P336 HydrophobicContact CG-CG 3.74Å
297	H	97.1	Very high	96.3	Very high	52 Å²	52	41 Å²	41	24%	0.241	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-41	174.1	-178.2	-63.8	0	0	0	112.5	R293 S294 R295 G301 M315 V322	R293-H297 VanDerWaalsContact O-CB 3.27Å; R293-H297 WeakPolarHBondContact O-CB 3.29Å; R293-H297 PolarHBondContact O-N 3.39Å; S294-H297 PolarHBondContact O-N 2.89Å; R295-H297 PolarHBondContact O-N 3.36Å; H297-G301 PolarHBondContact O-N 2.89Å; H297-M315 VanDerWaalsContact CD2-CE 3.42Å; H297-M315 WeakPolarHBondContact CD2-CE 3.32Å; H297-M315 VanDerWaalsContact CE1-CE 3.47Å; H297-M315 WeakPolarHBondContact CE1-CE 3.42Å; H297-M315 WeakPolarHBondContact NE2-CE 3.18Å; H297-V322 HydrophobicContact CB-CG2 3.79Å
298	S	96.7	Very high	96.3	Very high	54 Å²	54	44.9 Å²	44.9	38%	0.378	22%	0.224	S	C	.	.	H	α-helix	trans	-62.9	-42.6	173.5	-175.3	0	0	0	0	112.4	S294 R295 F296 G301 Q302	S294-S298 PolarHBondContact O-N 3.18Å; S294-S298 VanDerWaalsContact O-N 3.09Å; R295-S298 WeakPolarHBondContact O-CB 3.43Å; R295-S298 PolarHBondContact O-N 3.36Å; F296-S298 VanDerWaalsContact C-N 3.35Å; F296-S298 PolarHBondContact O-N 3.5Å; S298-G301 PolarHBondContact O-N 2.97Å; S298-Q302 WeakPolarHBondContact O-CG 3.49Å; S298-Q302 PolarHBondContact O-N 2.89Å; S298-Q302 VanDerWaalsContact O-N 3.13Å
299	L	97.8	Very high	96.3	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-66.3	-43.4	-180	-70.9	164.5	0	0	0	111.5	V135 Q138 E139 F142 R295 F296 G301 Q302 A303	V135-L299 HydrophobicContact CG1-CB 4.01Å; V135-L299 HydrophobicContact CG1-CD1 4.31Å; V135-L299 HydrophobicContact CG2-CB 4.08Å; Q138-L299 HydrophobicContact CB-CD2 4.02Å; E139-L299 HydrophobicContact CB-CD1 3.62Å; E139-L299 HydrophobicContact CB-CD2 4.13Å; E139-L299 HydrophobicContact CG-CD1 3.84Å; F142-L299 HydrophobicContact CD2-CD1 3.67Å; F142-L299 HydrophobicContact CE2-CD1 3.64Å; R295-L299 HydrophobicContact CG-CD1 4.11Å; R295-L299 WeakPolarHBondContact O-CG 3.39Å; R295-L299 PolarHBondContact O-N 3.11Å; F296-L299 PolarHBondContact O-N 3.2Å; F296-L299 VanDerWaalsContact O-N 3.17Å; L299-G301 VanDerWaalsContact C-N 3.35Å; L299-G301 PolarHBondContact O-N 2.66Å; L299-Q302 PolarHBondContact O-N 2.83Å; L299-A303 WeakPolarHBondContact O-CB 3.41Å; L299-A303 PolarHBondContact O-N 2.97Å
300	I	98	Very high	96.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.1	-41.4	176.1	-65.4	-81.7	0	0	0	111	I131 L132 V135 F296 Q302 A303 I304 M315 V322 L324 I334	I131-I300 HydrophobicContact CG2-CD1 3.69Å; I131-I300 HydrophobicContact CG2-CG2 4.18Å; L132-I300 HydrophobicContact CD2-CD1 4.43Å; V135-I300 HydrophobicContact CG2-CD1 3.63Å; V135-I300 HydrophobicContact CG2-CG1 4Å; F296-I300 HydrophobicContact CD1-CG1 4.28Å; F296-I300 HydrophobicContact CD2-CG1 4.34Å; F296-I300 HydrophobicContact CE1-CD1 4.21Å; F296-I300 HydrophobicContact CE1-CG1 3.92Å; F296-I300 HydrophobicContact CE2-CD1 4Å; F296-I300 HydrophobicContact CE2-CG1 3.98Å; F296-I300 HydrophobicContact CG-CG1 4.47Å; F296-I300 HydrophobicContact CZ-CD1 3.64Å; F296-I300 HydrophobicContact CZ-CG1 3.75Å; F296-I300 VanDerWaalsContact O-CG1 3.3Å; F296-I300 WeakPolarHBondContact O-CG1 3.34Å; F296-I300 PolarHBondContact O-N 3.47Å; I300-Q302 VanDerWaalsContact C-N 3.28Å; I300-Q302 PolarHBondContact O-N 3.34Å; I300-A303 PolarHBondContact O-N 3.4Å; I300-I304 HydrophobicContact CG2-CD1 3.77Å; I300-I304 HydrophobicContact CG2-CG1 4.35Å; I300-I304 WeakPolarHBondContact O-CD1 3.11Å; I300-I304 VanDerWaalsContact O-CG1 3.29Å; I300-I304 WeakPolarHBondContact O-CG1 3.45Å; I300-I304 PolarHBondContact O-N 3.16Å; I300-M315 HydrophobicContact CG2-SD 3.73Å; I300-V322 HydrophobicContact CB-CG1 3.99Å; I300-V322 HydrophobicContact CD1-CG1 4.41Å; I300-V322 HydrophobicContact CG1-CG1 3.87Å; I300-V322 HydrophobicContact CG1-CG2 4.45Å; I300-V322 HydrophobicContact CG2-CG1 3.66Å; I300-L324 HydrophobicContact CG2-CD2 3.85Å; I300-I334 HydrophobicContact CD1-CD1 4.35Å
301	G	96.5	Very high	96.3	Very high	23 Å²	23	55.7 Å²	55.7	24%	0.237	27%	0.272	C	S	.	.	H	α-helix	trans	-58.9	-38.2	174.1	0	0	0	0	0	113.3	H297 S298 L299 Q305	H297-G301 PolarHBondContact O-N 2.89Å; S298-G301 PolarHBondContact O-N 2.97Å; L299-G301 VanDerWaalsContact C-N 3.35Å; L299-G301 PolarHBondContact O-N 2.66Å; G301-Q305 WeakPolarHBondContact O-CG 3.35Å
302	Q	96.8	Very high	96.3	Very high	74 Å²	74	53.1 Å²	53.1	35%	0.346	26%	0.262	S	S	.	.	H	α-helix	trans	-72.5	-39.4	174.9	-69.9	165.4	-8	0	0	112.1	S298 L299 I300 Q305	S298-Q302 WeakPolarHBondContact O-CG 3.49Å; S298-Q302 PolarHBondContact O-N 2.89Å; S298-Q302 VanDerWaalsContact O-N 3.13Å; L299-Q302 PolarHBondContact O-N 2.83Å; I300-Q302 VanDerWaalsContact C-N 3.28Å; I300-Q302 PolarHBondContact O-N 3.34Å; Q302-Q305 PolarHBondContact O-N 3.05Å
303	A	97.6	Very high	96.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-43	177.9	0	0	0	0	0	112.4	I131 E134 V135 L299 I300 Q305 K306 S307	I131-A303 HydrophobicContact CG2-CB 4.25Å; E134-A303 HydrophobicContact CB-CB 3.91Å; E134-A303 HydrophobicContact CG-CB 3.74Å; V135-A303 HydrophobicContact CG2-CB 3.73Å; L299-A303 WeakPolarHBondContact O-CB 3.41Å; L299-A303 PolarHBondContact O-N 2.97Å; I300-A303 PolarHBondContact O-N 3.4Å; A303-Q305 VanDerWaalsContact C-N 3.27Å; A303-Q305 PolarHBondContact O-N 3.28Å; A303-K306 PolarHBondContact O-N 3.2Å; A303-K306 VanDerWaalsContact O-N 3.13Å; A303-S307 WeakPolarHBondContact O-CB 3.16Å; A303-S307 PolarHBondContact O-N 2.79Å
304	I	97.2	Very high	96.3	Very high	13 Å²	13	57.7 Å²	57.7	7%	0.067	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-36.4	176.9	-66.8	158.9	0	0	0	111.6	I131 I300 K306 S307 R310 V313 M315 L324	I131-I304 HydrophobicContact CD1-CG1 4.08Å; I131-I304 HydrophobicContact CG1-CG1 4.49Å; I300-I304 HydrophobicContact CG2-CD1 3.77Å; I300-I304 HydrophobicContact CG2-CG1 4.35Å; I300-I304 WeakPolarHBondContact O-CD1 3.11Å; I300-I304 VanDerWaalsContact O-CG1 3.29Å; I300-I304 WeakPolarHBondContact O-CG1 3.45Å; I300-I304 PolarHBondContact O-N 3.16Å; I304-K306 VanDerWaalsContact C-N 3.28Å; I304-K306 PolarHBondContact O-N 2.65Å; I304-S307 PolarHBondContact O-N 2.87Å; I304-R310 WeakPolarHBondContact O-CB 3.48Å; I304-V313 HydrophobicContact CD1-CG1 4.22Å; I304-V313 HydrophobicContact CG1-CG1 4.18Å; I304-V313 HydrophobicContact CG2-CB 4.44Å; I304-V313 HydrophobicContact CG2-CG1 4.37Å; I304-V313 WeakPolarHBondContact CG2-O 3.26Å; I304-M315 HydrophobicContact CD1-CG 3.72Å; I304-M315 HydrophobicContact CD1-SD 3.63Å; I304-L324 HydrophobicContact CD1-CD2 3.56Å
305	Q	95.7	Very high	96.2	Very high	149 Å²	149	56 Å²	56	70%	0.696	26%	0.263	S	S	*	.	H	α-helix	trans	-65.5	-31.2	178.8	-71.2	176.5	-8	0	0	113	G301 Q302 A303	G301-Q305 WeakPolarHBondContact O-CG 3.35Å; Q302-Q305 PolarHBondContact O-N 3.05Å; A303-Q305 VanDerWaalsContact C-N 3.27Å; A303-Q305 PolarHBondContact O-N 3.28Å
306	K	94.9	Very high	95.9	Very high	111 Å²	111	53.7 Å²	53.7	48%	0.483	26%	0.258	S	S	.	.	H	α-helix	trans	-89.4	-27.3	179.1	-62.5	171.8	-177.7	176.7	0	113.1	E134 A303 I304	E134-K306 VanDerWaalsContact CD-CD 3.4Å; E134-K306 HydrophobicContact CG-CB 4.18Å; E134-K306 HydrophobicContact CG-CD 3.91Å; E134-K306 WeakPolarHBondContact OE1-CD 3.45Å; E134-K306 WeakPolarHBondContact OE1-CE 3.45Å; E134-K306 IonicContact OE1-NZ 3.59Å; E134-K306 PolarHBondContact OE1-NZ 3.43Å; A303-K306 PolarHBondContact O-N 3.2Å; A303-K306 VanDerWaalsContact O-N 3.13Å; I304-K306 VanDerWaalsContact C-N 3.28Å; I304-K306 PolarHBondContact O-N 2.65Å
307	S	93.2	Very high	94.8	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.028	30%	0.296	C	S	.	.	S	Bend	trans	-54.4	151.2	-179.1	174.5	0	0	0	0	113.5	E130 A303 I304 Y309 R310	E130-S307 WeakPolarHBondContact OE1-CA 3.32Å; E130-S307 VanDerWaalsContact OE1-CB 3.23Å; E130-S307 WeakPolarHBondContact OE1-CB 3.3Å; E130-S307 PolarHBondContact OE1-OG 2.8Å; A303-S307 WeakPolarHBondContact O-CB 3.16Å; A303-S307 PolarHBondContact O-N 2.79Å; I304-S307 PolarHBondContact O-N 2.87Å; S307-Y309 PolarHBondContact O-N 3.32Å; S307-Y309 PolarHBondContact OG-N 2.92Å; S307-R310 WeakPolarHBondContact O-CB 3.44Å; S307-R310 PolarHBondContact O-N 3.33Å; S307-R310 PolarHBondContact O-NH1 3.08Å; S307-R310 VanDerWaalsContact O-NH1 3.16Å
308	T	95.2	Very high	93.8	Very high	83 Å²	83	62.1 Å²	62.1	51%	0.509	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-35.3	168.6	71.8	0	0	0	0	110.8	E130 R310 H311	E130-T308 PolarHBondContact OE1-N 2.58Å; E130-T308 PolarHBondContact OE1-OG1 3.07Å; E130-T308 WeakPolarHBondContact OE2-CG2 3.44Å; E130-T308 PolarHBondContact OE2-OG1 3.18Å; T308-R310 VanDerWaalsContact C-N 3.3Å; T308-R310 PolarHBondContact O-N 3.19Å; T308-H311 PolarHBondContact O-CE1 3.31Å; T308-H311 VanDerWaalsContact O-CE1 3.3Å; T308-H311 PolarHBondContact O-ND1 2.96Å
309	Y	95.6	Very high	93.2	Very high	39 Å²	39	61.3 Å²	61.3	15%	0.153	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	6.1	-176.4	-57.1	-68.1	0	0	0	115.1	Q126 I127 E130 S307 H311 I312 V313	Q126-Y309 VanDerWaalsContact CD-OH 3.23Å; Q126-Y309 WeakPolarHBondContact CG-OH 3.27Å; Q126-Y309 PolarHBondContact NE2-OH 3.13Å; Q126-Y309 VanDerWaalsContact NE2-OH 3.07Å; I127-Y309 HydrophobicContact CB-CD2 4.28Å; I127-Y309 HydrophobicContact CB-CE2 4.39Å; I127-Y309 HydrophobicContact CD1-CD1 4.4Å; I127-Y309 HydrophobicContact CG1-CD1 3.91Å; I127-Y309 HydrophobicContact CG1-CD2 3.89Å; I127-Y309 HydrophobicContact CG1-CE1 3.9Å; I127-Y309 HydrophobicContact CG1-CE2 3.89Å; I127-Y309 HydrophobicContact CG1-CG 3.89Å; I127-Y309 HydrophobicContact CG2-CD2 4.32Å; I127-Y309 HydrophobicContact CG2-CG 4.49Å; E130-Y309 HydrophobicContact CB-CD2 4.37Å; E130-Y309 HydrophobicContact CB-CE2 4.12Å; E130-Y309 VanDerWaalsContact OE2-CE2 3.24Å; E130-Y309 WeakPolarHBondContact OE2-CE2 3.39Å; S307-Y309 PolarHBondContact O-N 3.32Å; S307-Y309 PolarHBondContact OG-N 2.92Å; Y309-H311 PolarHBondContact O-N 3.49Å; Y309-I312 HydrophobicContact CD1-CD1 3.79Å; Y309-I312 HydrophobicContact CD1-CG1 4.26Å; Y309-I312 WeakPolarHBondContact O-CG1 3.38Å; Y309-I312 PolarHBondContact O-N 2.91Å; Y309-V313 PolarHBondContact O-N 3.22Å
310	R	94.7	Very high	92.8	Very high	155 Å²	155	63.1 Å²	63.1	59%	0.585	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-16.3	-179.4	71.4	179.2	174.1	-87.4	0.5	116.5	I304 S307 T308	I304-R310 WeakPolarHBondContact O-CB 3.48Å; S307-R310 WeakPolarHBondContact O-CB 3.44Å; S307-R310 PolarHBondContact O-N 3.33Å; S307-R310 PolarHBondContact O-NH1 3.08Å; S307-R310 VanDerWaalsContact O-NH1 3.16Å; T308-R310 VanDerWaalsContact C-N 3.3Å; T308-R310 PolarHBondContact O-N 3.19Å
311	H	96.1	Very high	92.6	Very high	151 Å²	151	63.3 Å²	63.3	70%	0.699	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-14.1	-178.9	64.3	-76.5	0	0	0	113.4	T308 Y309	T308-H311 PolarHBondContact O-CE1 3.31Å; T308-H311 VanDerWaalsContact O-CE1 3.3Å; T308-H311 PolarHBondContact O-ND1 2.96Å; Y309-H311 PolarHBondContact O-N 3.49Å
312	I	96.3	Very high	92.6	Very high	34 Å²	34	62.3 Å²	62.3	17%	0.174	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-16.2	175.5	61	163.5	0	0	0	113.5	I127 Y309 I326 H327	I127-I312 HydrophobicContact CD1-CD1 4Å; Y309-I312 HydrophobicContact CD1-CD1 3.79Å; Y309-I312 HydrophobicContact CD1-CG1 4.26Å; Y309-I312 WeakPolarHBondContact O-CG1 3.38Å; Y309-I312 PolarHBondContact O-N 2.91Å; I312-I326 HydrophobicContact CD1-CG2 4.5Å; I312-I326 CarbonylContact O-C 3.5Å; I312-I326 WeakPolarHBondContact O-CA 3.42Å; I312-H327 VanDerWaalsContact CD1-CE1 3.41Å; I312-H327 WeakPolarHBondContact CD1-CE1 3.26Å; I312-H327 PolarHBondContact O-N 2.72Å
313	V	97.1	Very high	92.5	Very high	5 Å²	5	59.9 Å²	59.9	3%	0.03	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	132	178.2	-175.4	0	0	0	0	111	I127 I131 I304 Y309 L324 C325 I326	I127-V313 HydrophobicContact CG2-CG2 3.6Å; I131-V313 HydrophobicContact CD1-CG1 3.99Å; I131-V313 HydrophobicContact CD1-CG2 4.43Å; I304-V313 HydrophobicContact CD1-CG1 4.22Å; I304-V313 HydrophobicContact CG1-CG1 4.18Å; I304-V313 HydrophobicContact CG2-CB 4.44Å; I304-V313 HydrophobicContact CG2-CG1 4.37Å; I304-V313 WeakPolarHBondContact CG2-O 3.26Å; Y309-V313 PolarHBondContact O-N 3.22Å; V313-L324 HydrophobicContact CG1-CB 4.11Å; V313-L324 HydrophobicContact CG1-CD1 4.24Å; V313-L324 HydrophobicContact CG1-CD2 4.42Å; V313-C325 WeakPolarHBondContact CA-O 3.35Å; V313-I326 HydrophobicContact CG2-CG1 4.3Å; V313-I326 HydrophobicContact CG2-CG2 4.49Å
314	R	95.2	Very high	92.5	Very high	98 Å²	98	59.9 Å²	59.9	37%	0.37	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	149.8	171.6	61.7	-177.9	-179.3	79.1	0.3	112.2	L324 C325 D328	R314-L324 CarbonylContact O-C 3.55Å; R314-L324 WeakPolarHBondContact O-CA 3.35Å; R314-C325 HydrophobicContact CG-CB 3.86Å; R314-C325 PolarHBondContact N-O 3.49Å; R314-C325 PolarHBondContact NH2-SG 3.19Å; R314-C325 PolarHBondContact O-N 3.15Å; R314-D328 IonicContact CZ-OD1 2.66Å; R314-D328 IonicContact NE-OD1 2.7Å; R314-D328 PolarHBondContact NE-OD1 2.84Å; R314-D328 IonicContact NH2-OD1 3.51Å; R314-D328 PolarHBondContact NH2-OD1 3.22Å
315	M	94.5	Very high	92.4	Very high	39 Å²	39	59.2 Å²	59.2	19%	0.192	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	145.5	169.8	-68	-65.3	-72.6	0	0	111.4	H297 I300 I304 G317 V322 L324	H297-M315 VanDerWaalsContact CD2-CE 3.42Å; H297-M315 WeakPolarHBondContact CD2-CE 3.32Å; H297-M315 VanDerWaalsContact CE1-CE 3.47Å; H297-M315 WeakPolarHBondContact CE1-CE 3.42Å; H297-M315 WeakPolarHBondContact NE2-CE 3.18Å; I300-M315 HydrophobicContact CG2-SD 3.73Å; I304-M315 HydrophobicContact CD1-CG 3.72Å; I304-M315 HydrophobicContact CD1-SD 3.63Å; M315-G317 PolarHBondContact O-N 3Å; M315-V322 HydrophobicContact CE-CG1 4.26Å; M315-V322 HydrophobicContact SD-CG1 4.46Å; M315-L324 HydrophobicContact SD-CD2 3.38Å; M315-L324 WeakPolarHBondContact SD-CD2 3.4Å
316	L	91	Very high	92.4	Very high	42 Å²	42	52.1 Å²	52.1	22%	0.22	27%	0.266	C	S	.	.			trans	-85.8	98.8	167.9	-65.5	-173.8	0	0	0	110.7	Q318 K323 C325 I331	L316-Q318 PolarHBondContact O-N 2.91Å; L316-K323 HydrophobicContact CB-CB 4.11Å; L316-K323 HydrophobicContact CD1-CB 3.87Å; L316-K323 HydrophobicContact CG-CB 4.17Å; L316-K323 PolarHBondContact N-O 3.32Å; L316-C325 HydrophobicContact CD2-CB 3.75Å; L316-C325 HydrophobicContact CG-CB 4.34Å; L316-I331 HydrophobicContact CD1-CD1 3.66Å; L316-I331 HydrophobicContact CD1-CG1 4.12Å
317	G	73.5	Confident	92.4	Very high	78 Å²	78	50.7 Å²	50.7	80%	0.804	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	33	-169.3	0	0	0	0	0	118.1	M315	M315-G317 PolarHBondContact O-N 3Å
318	Q	76.8	Confident	92.4	Very high	152 Å²	152	54.9 Å²	54.9	71%	0.71	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.9	20.9	179.2	-64.9	-171.6	4.9	0	0	114	L316	L316-Q318 PolarHBondContact O-N 2.91Å
319	T	84.6	Confident	92.3	Very high	36 Å²	36	56.1 Å²	56.1	22%	0.221	28%	0.281	C	S	.	.			trans	-143.1	157.6	179.1	177.9	0	0	0	0	110.4	E321 K323	T319-E321 VanDerWaalsContact C-N 3.26Å; T319-E321 HydrophobicContact CG2-CB 4.19Å; T319-E321 VanDerWaalsContact CG2-O 3.31Å; T319-E321 WeakPolarHBondContact CG2-O 3.43Å; T319-E321 WeakPolarHBondContact OG1-CB 3.42Å; T319-E321 WeakPolarHBondContact OG1-CG 3.41Å; T319-E321 PolarHBondContact OG1-N 3.03Å; T319-E321 PolarHBondContact OG1-OE2 3.41Å; T319-K323 HydrophobicContact CG2-CB 4.5Å; T319-K323 HydrophobicContact CG2-CD 4.2Å; T319-K323 HydrophobicContact CG2-CG 4.5Å
320	S	88.9	Confident	92.2	Very high	40 Å²	40	55.3 Å²	55.3	28%	0.28	28%	0.278	S	S	.	.	S	Bend	trans	-80.2	-10.7	165.1	74.2	0	0	0	0	112.9	R293 E390	R293-S320 VanDerWaalsContact CD-O 3.31Å; R293-S320 WeakPolarHBondContact CD-O 3.38Å; R293-S320 WeakPolarHBondContact CG-O 3.38Å; R293-S320 PolarHBondContact NE-OG 2.76Å; S320-E390 VanDerWaalsContact CB-OE1 3.31Å; S320-E390 WeakPolarHBondContact CB-OE1 3.37Å; S320-E390 PolarHBondContact N-OE1 3.49Å; S320-E390 WeakPolarHBondContact OG-CG 3.44Å; S320-E390 PolarHBondContact OG-OE1 3Å
321	E	92.6	Very high	92.2	Very high	3 Å²	3	48.5 Å²	48.5	1%	0.014	25%	0.253	C	S	.	.	S	Bend	trans	-77.6	143.4	179.2	-57.2	174	120.5	0	0	111.9	M13 T319 K323	M13-E321 WeakPolarHBondContact CE-OE1 3.48Å; T319-E321 VanDerWaalsContact C-N 3.26Å; T319-E321 HydrophobicContact CG2-CB 4.19Å; T319-E321 VanDerWaalsContact CG2-O 3.31Å; T319-E321 WeakPolarHBondContact CG2-O 3.43Å; T319-E321 WeakPolarHBondContact OG1-CB 3.42Å; T319-E321 WeakPolarHBondContact OG1-CG 3.41Å; T319-E321 PolarHBondContact OG1-N 3.03Å; T319-E321 PolarHBondContact OG1-OE2 3.41Å; E321-K323 HydrophobicContact CB-CG 4.33Å; E321-K323 PolarHBondContact O-N 3.42Å; E321-K323 VanDerWaalsContact OE2-CE 3.24Å; E321-K323 WeakPolarHBondContact OE2-CE 3.18Å; E321-K323 IonicContact OE2-NZ 3.12Å; E321-K323 PolarHBondContact OE2-NZ 3.31Å
322	V	96.4	Very high	92.1	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	94.2	174	-179.4	0	0	0	0	108.8	F296 H297 I300 M315 L324 Q333 I334	F296-V322 HydrophobicContact CD1-CB 4.35Å; F296-V322 HydrophobicContact CD1-CG2 3.53Å; F296-V322 HydrophobicContact CE1-CB 4.21Å; F296-V322 HydrophobicContact CE1-CG1 4.34Å; F296-V322 HydrophobicContact CE1-CG2 3.87Å; H297-V322 HydrophobicContact CB-CG2 3.79Å; I300-V322 HydrophobicContact CB-CG1 3.99Å; I300-V322 HydrophobicContact CD1-CG1 4.41Å; I300-V322 HydrophobicContact CG1-CG1 3.87Å; I300-V322 HydrophobicContact CG1-CG2 4.45Å; I300-V322 HydrophobicContact CG2-CG1 3.66Å; M315-V322 HydrophobicContact CE-CG1 4.26Å; M315-V322 HydrophobicContact SD-CG1 4.46Å; V322-L324 HydrophobicContact CG1-CD2 4.31Å; V322-Q333 CarbonylContact O-C 3.52Å; V322-Q333 VanDerWaalsContact O-CA 3.23Å; V322-Q333 WeakPolarHBondContact O-CA 3.34Å; V322-I334 WeakPolarHBondContact CB-O 3.44Å; V322-I334 HydrophobicContact CG1-CB 4.25Å; V322-I334 PolarHBondContact O-N 3.5Å
323	K	96	Very high	92.2	Very high	23 Å²	23	39.9 Å²	39.9	10%	0.1	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	119.2	173.8	-70	179.2	175.6	161.1	0	110.5	M13 L316 T319 E321 I331 Q333	M13-K323 WeakPolarHBondContact SD-CE 3.45Å; M13-K323 PolarHBondContact SD-NZ 2.82Å; L316-K323 HydrophobicContact CB-CB 4.11Å; L316-K323 HydrophobicContact CD1-CB 3.87Å; L316-K323 HydrophobicContact CG-CB 4.17Å; L316-K323 PolarHBondContact N-O 3.32Å; T319-K323 HydrophobicContact CG2-CB 4.5Å; T319-K323 HydrophobicContact CG2-CD 4.2Å; T319-K323 HydrophobicContact CG2-CG 4.5Å; E321-K323 HydrophobicContact CB-CG 4.33Å; E321-K323 PolarHBondContact O-N 3.42Å; E321-K323 VanDerWaalsContact OE2-CE 3.24Å; E321-K323 WeakPolarHBondContact OE2-CE 3.18Å; E321-K323 IonicContact OE2-NZ 3.12Å; E321-K323 PolarHBondContact OE2-NZ 3.31Å; K323-I331 HydrophobicContact CB-CG2 4.5Å; K323-Q333 HydrophobicContact CG-CB 4.22Å
324	L	96.4	Very high	92.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.6	177.3	-50.8	-171.7	0	0	0	109.1	I131 I300 I304 V313 R314 M315 V322 I331 L332 I334	I131-L324 HydrophobicContact CD1-CD1 3.82Å; I300-L324 HydrophobicContact CG2-CD2 3.85Å; I304-L324 HydrophobicContact CD1-CD2 3.56Å; V313-L324 HydrophobicContact CG1-CB 4.11Å; V313-L324 HydrophobicContact CG1-CD1 4.24Å; V313-L324 HydrophobicContact CG1-CD2 4.42Å; R314-L324 CarbonylContact O-C 3.55Å; R314-L324 WeakPolarHBondContact O-CA 3.35Å; M315-L324 HydrophobicContact SD-CD2 3.38Å; M315-L324 WeakPolarHBondContact SD-CD2 3.4Å; V322-L324 HydrophobicContact CG1-CD2 4.31Å; L324-I331 CarbonylContact O-C 3.17Å; L324-I331 VanDerWaalsContact O-CA 3.29Å; L324-I331 WeakPolarHBondContact O-CA 3.29Å; L324-L332 HydrophobicContact CB-CB 4.3Å; L324-L332 WeakPolarHBondContact CB-O 3.45Å; L324-L332 HydrophobicContact CD1-CD2 4.18Å; L324-L332 PolarHBondContact N-O 2.96Å; L324-L332 PolarHBondContact O-N 2.89Å; L324-I334 HydrophobicContact CD1-CD1 4.16Å
325	C	96.2	Very high	92.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.3	166.8	-164.4	0	0	0	0	108	V313 R314 L316 Y330	V313-C325 WeakPolarHBondContact CA-O 3.35Å; R314-C325 HydrophobicContact CG-CB 3.86Å; R314-C325 PolarHBondContact N-O 3.49Å; R314-C325 PolarHBondContact NH2-SG 3.19Å; R314-C325 PolarHBondContact O-N 3.15Å; L316-C325 HydrophobicContact CD2-CB 3.75Å; L316-C325 HydrophobicContact CG-CB 4.34Å; C325-Y330 WeakPolarHBondContact CA-O 3.26Å
326	I	96.2	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	127.2	-177	-50.3	177	0	0	0	108.2	I124 I127 I312 V313 D328 K329 Y330 L332	I124-I326 HydrophobicContact CG1-CD1 4.16Å; I124-I326 HydrophobicContact CG2-CD1 4.37Å; I127-I326 HydrophobicContact CD1-CD1 4.37Å; I127-I326 HydrophobicContact CD1-CG2 3.63Å; I127-I326 HydrophobicContact CG2-CD1 4.22Å; I312-I326 HydrophobicContact CD1-CG2 4.5Å; I312-I326 CarbonylContact O-C 3.5Å; I312-I326 WeakPolarHBondContact O-CA 3.42Å; V313-I326 HydrophobicContact CG2-CG1 4.3Å; V313-I326 HydrophobicContact CG2-CG2 4.49Å; I326-D328 PolarHBondContact O-N 3.25Å; I326-D328 VanDerWaalsContact O-N 3.11Å; I326-K329 PolarHBondContact O-N 2.78Å; I326-Y330 PolarHBondContact N-O 2.85Å; I326-Y330 PolarHBondContact O-N 2.87Å; I326-L332 HydrophobicContact CD1-CB 3.96Å; I326-L332 HydrophobicContact CD1-CD2 4.35Å
327	H	94.7	Very high	92.7	Very high	80 Å²	80	31.3 Å²	31.3	37%	0.37	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	25.3	-177	-63.6	-65.4	0	0	0	114.7	E123 I312 K329	E123-H327 IonicContact OE1-CD2 3.47Å; E123-H327 PolarHBondContact OE1-CD2 3.43Å; E123-H327 IonicContact OE1-CE1 3.26Å; E123-H327 IonicContact OE1-NE2 2.84Å; E123-H327 PolarHBondContact OE1-NE2 3.36Å; E123-H327 IonicContact OE2-CD2 3.98Å; E123-H327 IonicContact OE2-NE2 3.79Å; I312-H327 VanDerWaalsContact CD1-CE1 3.41Å; I312-H327 WeakPolarHBondContact CD1-CE1 3.26Å; I312-H327 PolarHBondContact O-N 2.72Å; H327-K329 HydrophobicContact CB-CB 4.39Å; H327-K329 WeakPolarHBondContact O-CB 3.41Å; H327-K329 PolarHBondContact O-N 2.8Å
328	D	92.3	Very high	93.9	Very high	92 Å²	92	27.7 Å²	27.7	49%	0.492	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	31.1	-169.5	-72.8	-44.4	0	0	0	114.2	R314 I326 M466	R314-D328 IonicContact CZ-OD1 2.66Å; R314-D328 IonicContact NE-OD1 2.7Å; R314-D328 PolarHBondContact NE-OD1 2.84Å; R314-D328 IonicContact NH2-OD1 3.51Å; R314-D328 PolarHBondContact NH2-OD1 3.22Å; I326-D328 PolarHBondContact O-N 3.25Å; I326-D328 VanDerWaalsContact O-N 3.11Å; D328-M466 HydrophobicContact CB-CE 4.5Å; D328-M466 WeakPolarHBondContact O-CE 3.43Å
329	K	92.2	Very high	94.7	Very high	110 Å²	110	23.5 Å²	23.5	48%	0.478	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.5	-43.5	-170.9	-176.6	-175.1	177.9	-166.4	0	113.3	N236 I326 H327	N236-K329 PolarHBondContact ND2-O 2.79Å; I326-K329 PolarHBondContact O-N 2.78Å; H327-K329 HydrophobicContact CB-CB 4.39Å; H327-K329 WeakPolarHBondContact O-CB 3.41Å; H327-K329 PolarHBondContact O-N 2.8Å
330	Y	94.2	Very high	95.2	Very high	21 Å²	21	22 Å²	22	8%	0.082	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.3	-178.3	-48.2	-57.6	0	0	0	110.3	T120 I124 N236 F238 C325 I326	T120-Y330 HydrophobicContact CG2-CD1 3.99Å; T120-Y330 HydrophobicContact CG2-CD2 4.23Å; T120-Y330 HydrophobicContact CG2-CE1 3.61Å; T120-Y330 HydrophobicContact CG2-CE2 3.86Å; T120-Y330 HydrophobicContact CG2-CG 4.28Å; I124-Y330 HydrophobicContact CD1-CD2 4.3Å; I124-Y330 HydrophobicContact CD1-CG 4.19Å; N236-Y330 HydrophobicContact CB-CD1 4.09Å; N236-Y330 CarbonylContact O-C 3.34Å; N236-Y330 WeakPolarHBondContact O-CA 3.37Å; F238-Y330 HydrophobicContact CE2-CD1 4.22Å; F238-Y330 HydrophobicContact CE2-CG 4.46Å; C325-Y330 WeakPolarHBondContact CA-O 3.26Å; I326-Y330 PolarHBondContact N-O 2.85Å; I326-Y330 PolarHBondContact O-N 2.87Å
331	I	94.1	Very high	95.4	Very high	13 Å²	13	24.9 Å²	24.9	7%	0.067	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.8	166.7	-70.6	179.4	0	0	0	108.6	N236 H237 F238 L316 K323 L324 M468	N236-I331 PolarHBondContact O-N 2.77Å; H237-I331 CarbonylContact C-O 3.54Å; H237-I331 WeakPolarHBondContact CA-O 3.24Å; F238-I331 PolarHBondContact N-O 2.97Å; L316-I331 HydrophobicContact CD1-CD1 3.66Å; L316-I331 HydrophobicContact CD1-CG1 4.12Å; K323-I331 HydrophobicContact CB-CG2 4.5Å; L324-I331 CarbonylContact O-C 3.17Å; L324-I331 VanDerWaalsContact O-CA 3.29Å; L324-I331 WeakPolarHBondContact O-CA 3.29Å; I331-M468 HydrophobicContact CD1-CE 3.4Å; I331-M468 VanDerWaalsContact CD1-CE 3.4Å; I331-M468 HydrophobicContact CG1-CE 3.61Å
332	L	95.9	Very high	95.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.8	167	168.9	63.5	0	0	0	109	I124 A128 F238 I240 L324 I326 I334	I124-L332 HydrophobicContact CG2-CB 4.24Å; I124-L332 HydrophobicContact CG2-CD1 4.06Å; I124-L332 HydrophobicContact CG2-CD2 3.86Å; I124-L332 HydrophobicContact CG2-CG 4.26Å; A128-L332 HydrophobicContact CB-CD2 3.8Å; F238-L332 HydrophobicContact CB-CD1 4.11Å; F238-L332 CarbonylContact O-C 3.34Å; F238-L332 WeakPolarHBondContact O-CA 3.31Å; I240-L332 HydrophobicContact CD1-CD1 3.76Å; I240-L332 HydrophobicContact CD1-CD2 4.04Å; I240-L332 HydrophobicContact CD1-CG 4.49Å; I240-L332 HydrophobicContact CG1-CD1 3.86Å; L324-L332 HydrophobicContact CB-CB 4.3Å; L324-L332 WeakPolarHBondContact CB-O 3.45Å; L324-L332 HydrophobicContact CD1-CD2 4.18Å; L324-L332 PolarHBondContact N-O 2.96Å; L324-L332 PolarHBondContact O-N 2.89Å; I326-L332 HydrophobicContact CD1-CB 3.96Å; I326-L332 HydrophobicContact CD1-CD2 4.35Å; L332-I334 HydrophobicContact CD2-CD1 4.36Å; L332-I334 HydrophobicContact CD2-CG1 4.36Å; L332-I334 HydrophobicContact CG-CG1 4.23Å
333	Q	96.3	Very high	95.3	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.019	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	146	166.1	172.1	150.5	-19.1	0	0	111.2	M13 F238 E239 I240 V322 K323 T335	M13-Q333 VanDerWaalsContact CE-CD 3.48Å; M13-Q333 VanDerWaalsContact CE-NE2 3.33Å; M13-Q333 PolarHBondContact SD-OE1 2.81Å; F238-Q333 PolarHBondContact O-N 2.88Å; E239-Q333 CarbonylContact C-O 3.6Å; E239-Q333 VanDerWaalsContact C-O 3.3Å; E239-Q333 WeakPolarHBondContact CA-O 3.35Å; E239-Q333 HydrophobicContact CB-CB 4.07Å; E239-Q333 HydrophobicContact CG-CB 4.47Å; E239-Q333 HydrophobicContact CG-CG 4.41Å; I240-Q333 PolarHBondContact N-O 2.67Å; V322-Q333 CarbonylContact O-C 3.52Å; V322-Q333 VanDerWaalsContact O-CA 3.23Å; V322-Q333 WeakPolarHBondContact O-CA 3.34Å; K323-Q333 HydrophobicContact CG-CB 4.22Å; Q333-T335 WeakPolarHBondContact CG-OG1 3.42Å; Q333-T335 PolarHBondContact NE2-OG1 3.26Å
334	I	97.4	Very high	95.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	116.4	167.3	-49.4	-178.7	0	0	0	109.1	L132 I240 L242 F296 I300 V322 L324 L332	L132-I334 HydrophobicContact CD2-CG2 4.34Å; L132-I334 HydrophobicContact CG-CD1 4.48Å; I240-I334 HydrophobicContact CB-CG1 4.41Å; I240-I334 HydrophobicContact CB-CG2 4.37Å; I240-I334 HydrophobicContact CG2-CG2 4.3Å; I240-I334 CarbonylContact O-C 3.54Å; I240-I334 WeakPolarHBondContact O-CA 3.45Å; L242-I334 HydrophobicContact CB-CG2 4.12Å; F296-I334 HydrophobicContact CE1-CB 4.05Å; F296-I334 HydrophobicContact CE1-CG2 3.78Å; F296-I334 HydrophobicContact CZ-CB 4.32Å; F296-I334 HydrophobicContact CZ-CG2 3.7Å; I300-I334 HydrophobicContact CD1-CD1 4.35Å; V322-I334 WeakPolarHBondContact CB-O 3.44Å; V322-I334 HydrophobicContact CG1-CB 4.25Å; V322-I334 PolarHBondContact O-N 3.5Å; L324-I334 HydrophobicContact CD1-CD1 4.16Å; L332-I334 HydrophobicContact CD2-CD1 4.36Å; L332-I334 HydrophobicContact CD2-CG1 4.36Å; L332-I334 HydrophobicContact CG-CG1 4.23Å
335	T	97.4	Very high	95.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	110	-171.7	-64.1	0	0	0	0	110.3	E239 I240 T241 L242 Q333 L387 Q389	E239-T335 WeakPolarHBondContact OE1-CB 3.5Å; E239-T335 PolarHBondContact OE1-OG1 2.81Å; I240-T335 PolarHBondContact O-N 2.83Å; T241-T335 WeakPolarHBondContact CA-O 3.31Å; L242-T335 PolarHBondContact N-O 3.07Å; Q333-T335 WeakPolarHBondContact CG-OG1 3.42Å; Q333-T335 PolarHBondContact NE2-OG1 3.26Å; T335-L387 HydrophobicContact CG2-CB 3.88Å; T335-L387 HydrophobicContact CG2-CD1 4.48Å; T335-L387 HydrophobicContact CG2-CD2 4.13Å; T335-L387 HydrophobicContact CG2-CG 4.38Å; T335-Q389 HydrophobicContact CG2-CG 3.66Å; T335-Q389 PolarHBondContact OG1-NE2 2.92Å
336	P	97.8	Very high	95.3	Very high	2 Å²	2	41 Å²	41	1%	0.013	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	135.1	169.9	-23.1	34.6	0	0	0	111.4	L242 L244 I292 F296 S388	L242-P336 CarbonylContact O-C 3.56Å; L242-P336 WeakPolarHBondContact O-CA 3.23Å; L244-P336 HydrophobicContact CD1-CB 4.1Å; L244-P336 HydrophobicContact CD2-CB 4.25Å; L244-P336 HydrophobicContact CG-CB 4.3Å; I292-P336 HydrophobicContact CG2-CB 4.1Å; F296-P336 HydrophobicContact CB-CG 4.1Å; F296-P336 HydrophobicContact CD1-CG 3.37Å; F296-P336 HydrophobicContact CD2-CG 4.5Å; F296-P336 HydrophobicContact CE1-CG 3.87Å; F296-P336 HydrophobicContact CG-CG 3.74Å; P336-S388 VanDerWaalsContact O-CB 3.27Å; P336-S388 WeakPolarHBondContact O-CB 3.26Å; P336-S388 PolarHBondContact O-N 3.31Å
337	A	97.7	Very high	95.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	156.3	-178	0	0	0	0	0	113.8	T241 L242 Y243 L244 L386 L387	T241-A337 HydrophobicContact CG2-CB 3.46Å; T241-A337 VanDerWaalsContact CG2-CB 3.46Å; L242-A337 PolarHBondContact O-N 2.52Å; Y243-A337 HydrophobicContact CD1-CB 4.44Å; L244-A337 PolarHBondContact N-O 2.78Å; A337-L386 CarbonylContact C-O 3.48Å; A337-L386 WeakPolarHBondContact CA-O 3.48Å; A337-L386 VanDerWaalsContact CB-O 3.3Å; A337-L386 WeakPolarHBondContact CB-O 3.16Å; A337-L387 HydrophobicContact CB-CD2 3.64Å
338	F	96.8	Very high	95.2	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	148.9	161.2	-61.6	-72.3	0	0	0	110.2	L244 N245 M247 L264 W277 L287 C385 L386 W406	L244-F338 HydrophobicContact CB-CD1 3.87Å; L244-F338 HydrophobicContact CB-CE1 3.59Å; L244-F338 HydrophobicContact CB-CZ 4.25Å; L244-F338 HydrophobicContact CD1-CE1 4.1Å; L244-F338 HydrophobicContact CD1-CE2 4.3Å; L244-F338 HydrophobicContact CD1-CZ 3.89Å; L244-F338 HydrophobicContact CG-CE1 4.48Å; N245-F338 WeakPolarHBondContact O-CD1 3.37Å; N245-F338 WeakPolarHBondContact O-CE1 3.4Å; M247-F338 HydrophobicContact CB-CD1 4.16Å; M247-F338 HydrophobicContact CB-CE1 4.32Å; M247-F338 HydrophobicContact CB-CG 4.35Å; M247-F338 HydrophobicContact CE-CB 3.87Å; M247-F338 HydrophobicContact CE-CG 4.42Å; L264-F338 HydrophobicContact CD1-CD2 3.61Å; L264-F338 HydrophobicContact CD1-CE2 3.81Å; W277-F338 HydrophobicContact CD2-CZ 4.48Å; W277-F338 HydrophobicContact CZ2-CE1 4.24Å; W277-F338 AromaticContact NE1-CE1 3.67Å; W277-F338 AromaticContact NE1-CZ 3.75Å; L287-F338 HydrophobicContact CD2-CE2 3.52Å; L287-F338 HydrophobicContact CD2-CZ 3.72Å; F338-C385 CarbonylContact O-C 3.3Å; F338-C385 WeakPolarHBondContact O-CA 3.32Å; F338-L386 HydrophobicContact CB-CB 4.37Å; F338-L386 PolarHBondContact N-O 3.04Å; F338-L386 PolarHBondContact O-N 3.46Å; F338-W406 HydrophobicContact CD2-CE3 4.15Å; F338-W406 AromaticContact CD2-CH2 3.74Å; F338-W406 HydrophobicContact CD2-CH2 3.74Å; F338-W406 HydrophobicContact CD2-CZ2 4.13Å; F338-W406 AromaticContact CD2-CZ3 3.74Å; F338-W406 HydrophobicContact CD2-CZ3 3.74Å; F338-W406 AromaticContact CE2-CH2 3.32Å; F338-W406 HydrophobicContact CE2-CH2 3.32Å; F338-W406 AromaticContact CE2-CZ2 3.58Å; F338-W406 HydrophobicContact CE2-CZ2 3.58Å; F338-W406 AromaticContact CE2-CZ3 3.83Å; F338-W406 HydrophobicContact CE2-CZ3 3.83Å; F338-W406 HydrophobicContact CZ-CH2 4.29Å
339	R	95.2	Very high	95.2	Very high	64 Å²	64	38.9 Å²	38.9	24%	0.242	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	136.7	176.5	-160.6	-174.9	-74.3	-144	1.7	111.1	D228 Y243 H341 N412	D228-R339 IonicContact OD1-CZ 3.22Å; D228-R339 IonicContact OD1-NH2 2.76Å; D228-R339 PolarHBondContact OD1-NH2 3.3Å; D228-R339 IonicContact OD2-CZ 3.09Å; D228-R339 IonicContact OD2-NH2 3.19Å; D228-R339 PolarHBondContact OD2-NH2 2.66Å; Y243-R339 HydrophobicContact CD1-CB 4.07Å; Y243-R339 HydrophobicContact CE1-CB 4.27Å; Y243-R339 HydrophobicContact CE1-CG 4.43Å; Y243-R339 PolarHBondContact OH-NH2 2.99Å; R339-H341 WeakPolarHBondContact CD-CE1 3.21Å; R339-H341 WeakPolarHBondContact CD-NE2 3.2Å; R339-H341 PolarHBondContact NH1-NE2 2.75Å; R339-N412 PolarHBondContact NH1-ND2 2.88Å; R339-N412 VanDerWaalsContact NH1-ND2 3.2Å
340	C	95.1	Very high	95.2	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.027	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	68.7	-174.3	-61.1	0	0	0	0	110.7	L343 F384	C340-L343 HydrophobicContact CB-CB 4.43Å; C340-L343 HydrophobicContact CB-CD1 4.28Å; C340-F384 WeakPolarHBondContact CA-O 3.39Å; C340-F384 HydrophobicContact CB-CD1 3.88Å; C340-F384 HydrophobicContact CB-CD2 4.12Å; C340-F384 HydrophobicContact CB-CE1 3.58Å; C340-F384 HydrophobicContact CB-CE2 3.83Å; C340-F384 HydrophobicContact CB-CG 4.14Å; C340-F384 HydrophobicContact CB-CZ 3.54Å; C340-F384 WeakPolarHBondContact CB-O 3.02Å; C340-F384 PolarHBondContact N-O 3.44Å; C340-F384 PolarHBondContact O-N 2.87Å
341	H	92.3	Very high	95.1	Very high	101 Å²	101	36.1 Å²	36.1	47%	0.468	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	150.3	172.2	-61.3	130	0	0	0	111.4	R339 L343 E382	R339-H341 WeakPolarHBondContact CD-CE1 3.21Å; R339-H341 WeakPolarHBondContact CD-NE2 3.2Å; R339-H341 PolarHBondContact NH1-NE2 2.75Å; H341-L343 PolarHBondContact O-N 3.03Å; H341-L343 VanDerWaalsContact O-N 3.08Å; H341-E382 PolarHBondContact CD2-O 2.88Å
342	G	93.2	Very high	94.9	Very high	49 Å²	49	36.5 Å²	36.5	51%	0.505	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	6.9	176.7	0	0	0	0	0	115.2	Y381	G342-Y381 PolarHBondContact N-O 3.09Å
343	L	94.2	Very high	94	Very high	87 Å²	87	39.4 Å²	39.4	46%	0.455	20%	0.196	S	C	.	.			trans	-117.7	141.9	178.5	-64.1	177.2	0	0	0	109.2	C340 H341 G383 F384	C340-L343 HydrophobicContact CB-CB 4.43Å; C340-L343 HydrophobicContact CB-CD1 4.28Å; H341-L343 PolarHBondContact O-N 3.03Å; H341-L343 VanDerWaalsContact O-N 3.08Å; L343-G383 WeakPolarHBondContact O-CA 3.42Å; L343-F384 HydrophobicContact CB-CE1 3.83Å; L343-F384 WeakPolarHBondContact O-CD1 3.49Å; L343-F384 WeakPolarHBondContact O-CE1 3.42Å
344	W	96.1	Very high	92.4	Very high	34 Å²	34	43.4 Å²	43.4	13%	0.129	22%	0.218	C	C	.	.			trans	-123.1	131.7	174.2	-158	-109.3	0	0	0	110.5	A348 W351 V379 K380 F410 A413 F524	W344-A348 HydrophobicContact CZ2-CB 4.25Å; W344-A348 PolarHBondContact NE1-O 2.92Å; W344-W351 AromaticContact CZ2-CE3 3.87Å; W344-W351 HydrophobicContact CZ2-CE3 3.87Å; W344-W351 HydrophobicContact CZ2-CZ3 4.38Å; W344-V379 HydrophobicContact CH2-CG1 4.18Å; W344-K380 HydrophobicContact CD2-CG 3.89Å; W344-K380 HydrophobicContact CE3-CB 4.33Å; W344-K380 HydrophobicContact CE3-CG 4.02Å; W344-K380 HydrophobicContact CG-CG 4.21Å; W344-K380 HydrophobicContact CZ3-CG 4.49Å; W344-F410 AromaticContact CH2-CD1 3.65Å; W344-F410 HydrophobicContact CH2-CD1 3.65Å; W344-F410 AromaticContact CH2-CE1 3.83Å; W344-F410 HydrophobicContact CH2-CE1 3.83Å; W344-F410 HydrophobicContact CZ2-CD1 4.21Å; W344-F410 AromaticContact CZ2-CE1 3.98Å; W344-F410 HydrophobicContact CZ2-CE1 3.98Å; W344-F410 AromaticContact CZ3-CD1 3.96Å; W344-F410 HydrophobicContact CZ3-CD1 3.96Å; W344-F410 HydrophobicContact CZ3-CE1 4.12Å; W344-A413 HydrophobicContact CH2-CB 4.21Å; W344-A413 HydrophobicContact CZ3-CB 4.11Å; W344-F524 AromaticContact CH2-CD1 3.96Å; W344-F524 HydrophobicContact CH2-CD1 3.96Å; W344-F524 AromaticContact CH2-CE1 3.69Å; W344-F524 HydrophobicContact CH2-CE1 3.69Å; W344-F524 HydrophobicContact CH2-CE2 4.43Å; W344-F524 HydrophobicContact CH2-CG 4.4Å; W344-F524 AromaticContact CH2-CZ 3.94Å; W344-F524 HydrophobicContact CH2-CZ 3.94Å; W344-F524 AromaticContact CZ2-CD1 3.62Å; W344-F524 HydrophobicContact CZ2-CD1 3.62Å; W344-F524 AromaticContact CZ2-CE1 3.72Å; W344-F524 HydrophobicContact CZ2-CE1 3.72Å; W344-F524 HydrophobicContact CZ2-CG 4.22Å; W344-F524 HydrophobicContact CZ2-CZ 4.42Å
345	P	96	Very high	90.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.246	C	C	.	.			trans	-64.6	144.2	-179.7	-24.5	37.8	0	0	0	112.4	F252 D254 S347 A348 N349 F384 L408 F410	F252-P345 HydrophobicContact CZ-CB 4.1Å; F252-P345 HydrophobicContact CZ-CG 4.32Å; D254-P345 VanDerWaalsContact OD2-CB 3.23Å; D254-P345 WeakPolarHBondContact OD2-CB 3.36Å; P345-S347 VanDerWaalsContact C-N 3.27Å; P345-S347 PolarHBondContact O-N 3.12Å; P345-A348 HydrophobicContact CB-CB 4.38Å; P345-A348 CarbonylContact O-C 3.53Å; P345-A348 PolarHBondContact O-N 2.55Å; P345-N349 PolarHBondContact O-N 2.96Å; P345-N349 VanDerWaalsContact O-N 3.16Å; P345-N349 PolarHBondContact O-OD1 3.11Å; P345-F384 HydrophobicContact CG-CD1 3.58Å; P345-F384 HydrophobicContact CG-CD2 4.07Å; P345-F384 HydrophobicContact CG-CE1 3.65Å; P345-F384 HydrophobicContact CG-CE2 4.13Å; P345-F384 HydrophobicContact CG-CG 3.8Å; P345-F384 HydrophobicContact CG-CZ 3.94Å; P345-L408 HydrophobicContact CB-CD1 3.95Å; P345-L408 HydrophobicContact CB-CD2 4.23Å; P345-L408 HydrophobicContact CG-CD1 4.23Å; P345-L408 HydrophobicContact CG-CD2 3.9Å; P345-F410 HydrophobicContact CB-CZ 4.4Å; P345-F410 HydrophobicContact CG-CE1 3.86Å; P345-F410 HydrophobicContact CG-CZ 3.73Å
346	R	95.1	Very high	88.1	Confident	195 Å²	195	52.3 Å²	52.3	74%	0.736	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-62.8	-38.1	178	-70.1	-172.2	173.2	-150.2	-1	111.6	D254 A348 N349	D254-R346 WeakPolarHBondContact O-CD 3.44Å; D254-R346 PolarHBondContact OD2-N 2.97Å; R346-A348 PolarHBondContact O-N 2.86Å; R346-N349 WeakPolarHBondContact O-CB 3.44Å; R346-N349 PolarHBondContact O-N 3.34Å; R346-N349 VanDerWaalsContact O-N 3.13Å
347	S	94.1	Very high	85.8	Confident	36 Å²	36	58.5 Å²	58.5	25%	0.252	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-60.5	-17.5	173.3	55.6	0	0	0	0	114.2	D254 P345 H350 L408 L525	D254-S347 WeakPolarHBondContact OD1-CB 3.46Å; D254-S347 PolarHBondContact OD1-OG 3.01Å; D254-S347 VanDerWaalsContact OD2-CB 3.27Å; D254-S347 WeakPolarHBondContact OD2-CB 3.48Å; D254-S347 PolarHBondContact OD2-N 2.87Å; D254-S347 PolarHBondContact OD2-OG 3.19Å; P345-S347 VanDerWaalsContact C-N 3.27Å; P345-S347 PolarHBondContact O-N 3.12Å; S347-H350 PolarHBondContact O-CD2 3.26Å; S347-H350 PolarHBondContact O-NE2 3.38Å; S347-H350 VanDerWaalsContact O-NE2 3.08Å; S347-L408 WeakPolarHBondContact OG-CD1 3.47Å; S347-L525 WeakPolarHBondContact O-CD2 3.43Å; S347-L525 WeakPolarHBondContact OG-CD2 3.17Å
348	A	95.4	Very high	83.5	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-112.4	3.4	176.1	0	0	0	0	0	113.6	W344 P345 R346 H350 W351 F410 F524 L525	W344-A348 HydrophobicContact CZ2-CB 4.25Å; W344-A348 PolarHBondContact NE1-O 2.92Å; P345-A348 HydrophobicContact CB-CB 4.38Å; P345-A348 CarbonylContact O-C 3.53Å; P345-A348 PolarHBondContact O-N 2.55Å; R346-A348 PolarHBondContact O-N 2.86Å; A348-H350 PolarHBondContact O-N 3.02Å; A348-W351 WeakPolarHBondContact O-CB 3.42Å; A348-W351 PolarHBondContact O-N 3Å; A348-W351 VanDerWaalsContact O-N 3.07Å; A348-F410 HydrophobicContact CB-CE1 4.09Å; A348-F410 HydrophobicContact CB-CZ 3.84Å; A348-F524 HydrophobicContact CB-CB 4.37Å; A348-F524 WeakPolarHBondContact CB-O 3.5Å; A348-L525 HydrophobicContact CB-CD2 3.98Å
349	N	93.1	Very high	81.2	Confident	93 Å²	93	74.7 Å²	74.7	50%	0.497	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.8	-176.3	-88.9	-14.6	0	0	0	114.2	P345 R346 W351	P345-N349 PolarHBondContact O-N 2.96Å; P345-N349 VanDerWaalsContact O-N 3.16Å; P345-N349 PolarHBondContact O-OD1 3.11Å; R346-N349 WeakPolarHBondContact O-CB 3.44Å; R346-N349 PolarHBondContact O-N 3.34Å; R346-N349 VanDerWaalsContact O-N 3.13Å; N349-W351 PolarHBondContact O-N 3.44Å
350	H	91.4	Very high	78.9	Confident	67 Å²	67	76.5 Å²	76.5	31%	0.31	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-10.4	173.1	59	51	0	0	0	113.1	S347 A348 P352 M353 F524 P526	S347-H350 PolarHBondContact O-CD2 3.26Å; S347-H350 PolarHBondContact O-NE2 3.38Å; S347-H350 VanDerWaalsContact O-NE2 3.08Å; A348-H350 PolarHBondContact O-N 3.02Å; H350-P352 CarbonylContact O-C 3.59Å; H350-M353 HydrophobicContact CB-CE 3.77Å; H350-M353 HydrophobicContact CB-SD 4.47Å; H350-M353 VanDerWaalsContact CG-CE 3.49Å; H350-M353 VanDerWaalsContact ND1-CE 3.29Å; H350-M353 WeakPolarHBondContact ND1-CE 3.3Å; H350-F524 PolarHBondContact CE1-O 2.98Å; H350-F524 VanDerWaalsContact CE1-O 3.24Å; H350-P526 WeakPolarHBondContact CE1-CD 3.5Å; H350-P526 WeakPolarHBondContact NE2-CD 3.22Å
351	W	93.3	Very high	76.8	Confident	6 Å²	6	80.2 Å²	80.2	2%	0.023	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-92	135.6	-177.1	-177.5	86.1	0	0	0	112.1	W344 A348 N349 P371 M376 V379 K380 L417 Y523 F524	W344-W351 AromaticContact CZ2-CE3 3.87Å; W344-W351 HydrophobicContact CZ2-CE3 3.87Å; W344-W351 HydrophobicContact CZ2-CZ3 4.38Å; A348-W351 WeakPolarHBondContact O-CB 3.42Å; A348-W351 PolarHBondContact O-N 3Å; A348-W351 VanDerWaalsContact O-N 3.07Å; N349-W351 PolarHBondContact O-N 3.44Å; W351-P371 HydrophobicContact CH2-CG 3.69Å; W351-P371 HydrophobicContact CZ2-CG 3.59Å; W351-M376 HydrophobicContact CH2-CG 4.13Å; W351-M376 HydrophobicContact CZ3-CG 3.85Å; W351-V379 HydrophobicContact CH2-CB 4.06Å; W351-V379 HydrophobicContact CH2-CG1 3.63Å; W351-V379 HydrophobicContact CZ3-CB 4.3Å; W351-V379 HydrophobicContact CZ3-CG1 3.78Å; W351-K380 HydrophobicContact CZ3-CG 4.31Å; W351-K380 WeakPolarHBondContact O-CE 3.48Å; W351-K380 PolarHBondContact O-NZ 3.45Å; W351-L417 HydrophobicContact CH2-CD2 4.12Å; W351-L417 HydrophobicContact CZ2-CD1 4.11Å; W351-L417 HydrophobicContact CZ2-CD2 3.96Å; W351-Y523 HydrophobicContact CZ2-CE1 4.49Å; W351-Y523 AromaticContact NE1-CE1 3.69Å; W351-Y523 AromaticContact NE1-CZ 3.34Å; W351-Y523 VanDerWaalsContact NE1-CZ 3.34Å; W351-Y523 PolarHBondContact NE1-OH 3.48Å; W351-F524 HydrophobicContact CB-CD1 4.4Å; W351-F524 AromaticContact CD1-CD1 3.99Å; W351-F524 AromaticContact CD2-CD1 3.76Å; W351-F524 HydrophobicContact CD2-CD1 3.76Å; W351-F524 AromaticContact CD2-CE1 3.62Å; W351-F524 HydrophobicContact CD2-CE1 3.62Å; W351-F524 AromaticContact CE2-CE1 3.61Å; W351-F524 HydrophobicContact CE3-CD1 4.21Å; W351-F524 AromaticContact CE3-CE1 3.85Å; W351-F524 HydrophobicContact CE3-CE1 3.85Å; W351-F524 AromaticContact CG-CD1 3.78Å; W351-F524 HydrophobicContact CG-CD1 3.78Å; W351-F524 HydrophobicContact CG-CE1 4.15Å; W351-F524 HydrophobicContact CH2-CE1 4.08Å; W351-F524 AromaticContact CZ2-CE1 3.86Å; W351-F524 HydrophobicContact CZ2-CE1 3.86Å; W351-F524 HydrophobicContact CZ3-CE1 4.08Å
352	P	89.1	Confident	75.1	Confident	20 Å²	20	83 Å²	83	13%	0.13	44%	0.435	C	S	.	.	S	Bend	cis	-78.8	154.3	-3.6	33	-35.7	0	0	0	113.1	H350 N354 M376	H350-P352 CarbonylContact O-C 3.59Å; P352-N354 PolarHBondContact O-N 2.91Å; P352-M376 WeakPolarHBondContact CD-SD 3.21Å; P352-M376 HydrophobicContact CG-CE 3.59Å; P352-M376 HydrophobicContact CG-CG 4.23Å; P352-M376 HydrophobicContact CG-SD 3.77Å
353	M	76.9	Confident	73.1	Confident	61 Å²	61	85.1 Å²	85.1	30%	0.3	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-71.5	122.9	178.5	-68.9	-65.9	169.7	0	0	111.1	H350 N355 P526	H350-M353 HydrophobicContact CB-CE 3.77Å; H350-M353 HydrophobicContact CB-SD 4.47Å; H350-M353 VanDerWaalsContact CG-CE 3.49Å; H350-M353 VanDerWaalsContact ND1-CE 3.29Å; H350-M353 WeakPolarHBondContact ND1-CE 3.3Å; M353-N355 HydrophobicContact CB-CB 4.46Å; M353-N355 PolarHBondContact O-N 3.44Å; M353-P526 HydrophobicContact CE-CG 4.5Å
354	N	62.1	Low	71.2	Confident	88 Å²	88	85.6 Å²	85.6	47%	0.471	44%	0.443	S	S	.	.			trans	-78.6	36.5	175	-77.2	-45.7	0	0	0	112.9	P352 H356 H357 K369	P352-N354 PolarHBondContact O-N 2.91Å; N354-H356 PolarHBondContact O-N 3.16Å; N354-H356 VanDerWaalsContact O-N 3.1Å; N354-H357 PolarHBondContact O-CD2 2.98Å; N354-K369 PolarHBondContact OD1-NZ 3.28Å
355	N	52.8	Low	69	Low	112 Å²	112	92.9 Å²	92.9	60%	0.599	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-73.9	-3	-167.9	-73.6	-8.3	0	0	0	115.1	M353 H357	M353-N355 HydrophobicContact CB-CB 4.46Å; M353-N355 PolarHBondContact O-N 3.44Å; N355-H357 PolarHBondContact O-N 2.69Å
356	H	53	Low	67	Low	78 Å²	78	98.8 Å²	98.8	36%	0.361	51%	0.51	S	S	.	.	G	3₁₀ helix	trans	-73.8	-4	178.5	-63.2	-57.7	0	0	0	115.1	N354 L358 T367	N354-H356 PolarHBondContact O-N 3.16Å; N354-H356 VanDerWaalsContact O-N 3.1Å; H356-L358 PolarHBondContact O-N 3.3Å; H356-T367 HydrophobicContact CB-CG2 4.42Å
357	H	48.7	Very low	65.1	Low	131 Å²	131	90.8 Å²	90.8	61%	0.606	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-69.2	-13.9	177.1	-71	-63.1	0	0	0	114.5	N354 N355	N354-H357 PolarHBondContact O-CD2 2.98Å; N355-H357 PolarHBondContact O-N 2.69Å
358	L	49.6	Very low	63.4	Low	150 Å²	150	95.2 Å²	95.2	79%	0.785	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-88.1	-7.7	-174.2	-91.8	157.1	0	0	0	116	H356	H356-L358 PolarHBondContact O-N 3.3Å
359	Y	49.3	Very low	62.2	Low	193 Å²	193	99 Å²	99	76%	0.757	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.9	-3	-176.4	-82.6	-77.8	0	0	0	116.4
360	N	45.8	Very low	61.9	Low	102 Å²	102	95.4 Å²	95.4	55%	0.545	50%	0.496	S	S	.	.			trans	-134.4	73	-179.3	-90	-34.7	0	0	0	113.1	L362	N360-L362 PolarHBondContact O-N 3.21Å; N360-L362 VanDerWaalsContact O-N 3.13Å
361	G	51.9	Low	61.8	Low	81 Å²	81	92.2 Å²	92.2	84%	0.835	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	9.9	172.7	0	0	0	0	0	115.5
362	L	56.5	Low	61.6	Low	161 Å²	161	95.1 Å²	95.1	84%	0.843	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	-7.1	-170.8	-69.5	173.1	0	0	0	115.3	N360	N360-L362 PolarHBondContact O-N 3.21Å; N360-L362 VanDerWaalsContact O-N 3.13Å
363	N	50.2	Low	61.6	Low	93 Å²	93	99.3 Å²	99.3	50%	0.497	52%	0.524	S	S	.	.			trans	-164.6	101	168	-101.5	-33.8	0	0	0	111.3	E365 L366	N363-E365 VanDerWaalsContact C-N 3.27Å; N363-E365 PolarHBondContact O-N 3.21Å; N363-L366 HydrophobicContact CB-CD1 4.44Å
364	P	54.6	Low	62.4	Low	97 Å²	97	103 Å²	103	63%	0.63	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-61.1	-34.6	176.7	-23.8	34.5	0	0	0	113.3	L366 T367	P364-L366 VanDerWaalsContact C-N 3.27Å; P364-L366 PolarHBondContact O-N 2.87Å; P364-T367 PolarHBondContact O-N 2.84Å; P364-T367 PolarHBondContact O-OG1 2.71Å
365	E	51.1	Low	63.8	Low	186 Å²	186	99.4 Å²	99.4	87%	0.869	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-73.4	-12.6	-170.9	-59	-171.7	152.3	0	0	114.6	N363	N363-E365 VanDerWaalsContact C-N 3.27Å; N363-E365 PolarHBondContact O-N 3.21Å
366	L	53	Low	65.8	Low	125 Å²	125	95.2 Å²	95.2	65%	0.654	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-106.6	12.3	179	-77.6	161.9	0	0	0	113.4	N363 P364 M368	N363-L366 HydrophobicContact CB-CD1 4.44Å; P364-L366 VanDerWaalsContact C-N 3.27Å; P364-L366 PolarHBondContact O-N 2.87Å; L366-M368 VanDerWaalsContact C-N 3.25Å; L366-M368 PolarHBondContact O-N 3.27Å
367	T	55	Low	67.7	Low	26 Å²	26	96.7 Å²	96.7	16%	0.16	51%	0.509	C	S	.	.			trans	-74.4	79.1	171.4	53	0	0	0	0	110.5	H356 P364 K369	H356-T367 HydrophobicContact CB-CG2 4.42Å; P364-T367 PolarHBondContact O-N 2.84Å; P364-T367 PolarHBondContact O-OG1 2.71Å; T367-K369 WeakPolarHBondContact O-CG 3.45Å; T367-K369 PolarHBondContact O-N 2.77Å; T367-K369 VanDerWaalsContact O-N 3.08Å
368	M	57.8	Low	70	Confident	129 Å²	129	92.6 Å²	92.6	64%	0.635	49%	0.491	S	S	*	.			trans	-58.9	113.6	176	-64.8	-152.9	74.7	0	0	110	L366	L366-M368 VanDerWaalsContact C-N 3.25Å; L366-M368 PolarHBondContact O-N 3.27Å
369	K	70.9	Confident	72.1	Confident	81 Å²	81	85.5 Å²	85.5	35%	0.352	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-92.2	130.4	-179.9	-55.4	-168.6	-179.8	-172.6	0	109.6	N354 T367 P371	N354-K369 PolarHBondContact OD1-NZ 3.28Å; T367-K369 WeakPolarHBondContact O-CG 3.45Å; T367-K369 PolarHBondContact O-N 2.77Å; T367-K369 VanDerWaalsContact O-N 3.08Å; K369-P371 CarbonylContact O-C 3.57Å; K369-P371 VanDerWaalsContact O-C 3.3Å; K369-P371 VanDerWaalsContact O-O 3.13Å
370	W	86.5	Confident	74.4	Confident	16 Å²	16	79 Å²	79	6%	0.061	43%	0.429	C	S	.	.	S	Bend	trans	-97.8	137.7	160.2	174	90.9	0	0	0	109.8	L483 C486 E487 P490 Y523	W370-L483 HydrophobicContact CH2-CB 4.49Å; W370-L483 WeakPolarHBondContact CH2-O 3.34Å; W370-L483 HydrophobicContact CZ2-CD2 4.46Å; W370-C486 HydrophobicContact CD2-CB 4.09Å; W370-C486 HydrophobicContact CH2-CB 3.81Å; W370-C486 HydrophobicContact CZ2-CB 3.25Å; W370-C486 HydrophobicContact CZ3-CB 4.48Å; W370-E487 VanDerWaalsContact CE3-CA 3.42Å; W370-E487 HydrophobicContact CE3-CB 3.72Å; W370-E487 HydrophobicContact CE3-CG 3.88Å; W370-E487 HydrophobicContact CH2-CB 4.43Å; W370-E487 HydrophobicContact CZ3-CB 3.47Å; W370-E487 VanDerWaalsContact CZ3-CB 3.47Å; W370-E487 HydrophobicContact CZ3-CG 3.86Å; W370-P490 HydrophobicContact CB-CB 3.48Å; W370-P490 VanDerWaalsContact CB-CB 3.48Å; W370-Y523 HydrophobicContact CH2-CE1 4.49Å; W370-Y523 AromaticContact CH2-CE2 3.58Å; W370-Y523 HydrophobicContact CH2-CE2 3.58Å; W370-Y523 AromaticContact CH2-CZ 3.42Å; W370-Y523 VanDerWaalsContact CH2-CZ 3.42Å; W370-Y523 WeakPolarHBondContact CH2-OH 2.92Å; W370-Y523 AromaticContact CZ3-CE2 3.69Å; W370-Y523 HydrophobicContact CZ3-CE2 3.69Å; W370-Y523 AromaticContact CZ3-CZ 3.67Å; W370-Y523 WeakPolarHBondContact CZ3-OH 3.1Å
371	P	90.1	Very high	76.8	Confident	1 Å²	1	82 Å²	82	1%	0.006	43%	0.434	C	S	.	.	S	Bend	cis	-68.7	167.9	-15.5	33.5	-37.9	0	0	0	111.7	W351 K369 L375 M376 L417	W351-P371 HydrophobicContact CH2-CG 3.69Å; W351-P371 HydrophobicContact CZ2-CG 3.59Å; K369-P371 CarbonylContact O-C 3.57Å; K369-P371 VanDerWaalsContact O-C 3.3Å; K369-P371 VanDerWaalsContact O-O 3.13Å; P371-L375 HydrophobicContact CB-CB 4.12Å; P371-L375 HydrophobicContact CB-CD2 3.78Å; P371-L375 HydrophobicContact CB-CG 3.94Å; P371-M376 HydrophobicContact CG-CB 4.17Å; P371-L417 HydrophobicContact CB-CD2 3.91Å; P371-L417 HydrophobicContact CG-CD2 3.99Å
372	S	88.6	Confident	78.8	Confident	67 Å²	67	79.8 Å²	79.8	47%	0.469	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-60.4	154.2	170.3	71.9	0	0	0	0	111.2	Q374 L375 M376	S372-Q374 PolarHBondContact O-N 3.24Å; S372-L375 PolarHBondContact O-N 3.36Å; S372-L375 VanDerWaalsContact O-N 3.1Å; S372-L375 PolarHBondContact OG-N 2.97Å; S372-M376 PolarHBondContact O-N 3.08Å
373	N	90.2	Very high	80.7	Confident	108 Å²	108	72.2 Å²	72.2	58%	0.578	36%	0.362	S	S	*	.	H	α-helix	trans	-57.6	-35.9	-178.7	-70.2	-41.7	0	0	0	113.2	M376 N377	N373-M376 WeakPolarHBondContact OD1-CE 3.46Å; N373-N377 VanDerWaalsContact O-CG 3.3Å; N373-N377 PolarHBondContact O-N 2.89Å; N373-N377 VanDerWaalsContact O-N 3.14Å; N373-N377 PolarHBondContact O-ND2 2.97Å
374	Q	92.6	Very high	82.9	Confident	139 Å²	139	68 Å²	68	65%	0.65	34%	0.339	S	S	*	.	H	α-helix	trans	-63.1	-52.2	174.6	-176.5	-170.9	-35	0	0	111	S372 M376 N377 E378	S372-Q374 PolarHBondContact O-N 3.24Å; Q374-M376 VanDerWaalsContact C-N 3.27Å; Q374-M376 PolarHBondContact O-N 3.08Å; Q374-N377 WeakPolarHBondContact O-CB 2.89Å; Q374-N377 PolarHBondContact O-N 3.39Å; Q374-N377 VanDerWaalsContact O-N 3.11Å; Q374-E378 PolarHBondContact NE2-OE1 3.36Å; Q374-E378 PolarHBondContact O-N 3.28Å
375	L	92.8	Very high	84.9	Confident	12 Å²	12	63.4 Å²	63.4	6%	0.063	31%	0.31	C	S	.	.	H	α-helix	trans	-62.8	-36	180	179.4	59.1	0	0	0	111.4	P371 S372 N377 E378 V379 R416 L417	P371-L375 HydrophobicContact CB-CB 4.12Å; P371-L375 HydrophobicContact CB-CD2 3.78Å; P371-L375 HydrophobicContact CB-CG 3.94Å; S372-L375 PolarHBondContact O-N 3.36Å; S372-L375 VanDerWaalsContact O-N 3.1Å; S372-L375 PolarHBondContact OG-N 2.97Å; L375-N377 VanDerWaalsContact C-N 3.34Å; L375-N377 PolarHBondContact O-N 3.07Å; L375-E378 PolarHBondContact O-N 2.81Å; L375-V379 HydrophobicContact CD1-CG2 4.04Å; L375-V379 HydrophobicContact CG-CG2 4.28Å; L375-V379 WeakPolarHBondContact O-CB 3.43Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 3.06Å; L375-R416 HydrophobicContact CD1-CG 4.07Å; L375-L417 HydrophobicContact CD2-CD2 4.29Å; L375-L417 HydrophobicContact CG-CD2 4.33Å
376	M	93.5	Very high	87.1	Confident	24 Å²	24	54.6 Å²	54.6	12%	0.118	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-44.2	173.2	-165.4	-158.9	-43	0	0	112.4	W351 P352 P371 S372 N373 Q374 V379 K380	W351-M376 HydrophobicContact CH2-CG 4.13Å; W351-M376 HydrophobicContact CZ3-CG 3.85Å; P352-M376 WeakPolarHBondContact CD-SD 3.21Å; P352-M376 HydrophobicContact CG-CE 3.59Å; P352-M376 HydrophobicContact CG-CG 4.23Å; P352-M376 HydrophobicContact CG-SD 3.77Å; P371-M376 HydrophobicContact CG-CB 4.17Å; S372-M376 PolarHBondContact O-N 3.08Å; N373-M376 WeakPolarHBondContact OD1-CE 3.46Å; Q374-M376 VanDerWaalsContact C-N 3.27Å; Q374-M376 PolarHBondContact O-N 3.08Å; M376-V379 PolarHBondContact O-N 2.75Å; M376-K380 HydrophobicContact CG-CD 4.46Å; M376-K380 WeakPolarHBondContact O-CB 3.12Å; M376-K380 WeakPolarHBondContact O-CG 3.36Å; M376-K380 PolarHBondContact O-N 2.67Å
377	N	94.1	Very high	89.2	Confident	109 Å²	109	48.7 Å²	48.7	58%	0.583	24%	0.238	S	C	*	.	H	α-helix	trans	-66.9	-42.5	178.3	-69.6	-21.1	0	0	0	111.3	N373 Q374 L375 K380 Y381	N373-N377 VanDerWaalsContact O-CG 3.3Å; N373-N377 PolarHBondContact O-N 2.89Å; N373-N377 VanDerWaalsContact O-N 3.14Å; N373-N377 PolarHBondContact O-ND2 2.97Å; Q374-N377 WeakPolarHBondContact O-CB 2.89Å; Q374-N377 PolarHBondContact O-N 3.39Å; Q374-N377 VanDerWaalsContact O-N 3.11Å; L375-N377 VanDerWaalsContact C-N 3.34Å; L375-N377 PolarHBondContact O-N 3.07Å; N377-K380 PolarHBondContact O-N 2.77Å; N377-Y381 WeakPolarHBondContact O-CB 3.41Å; N377-Y381 PolarHBondContact O-N 3.44Å
378	E	95.4	Very high	91.2	Very high	45 Å²	45	47.6 Å²	47.6	21%	0.21	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-46.1	174.5	-70.8	-177.9	-139.6	0	0	111.9	Q374 L375 K380 Y381 E382 R416	Q374-E378 PolarHBondContact NE2-OE1 3.36Å; Q374-E378 PolarHBondContact O-N 3.28Å; L375-E378 PolarHBondContact O-N 2.81Å; E378-K380 PolarHBondContact O-N 3.36Å; E378-Y381 WeakPolarHBondContact O-CB 3.34Å; E378-Y381 PolarHBondContact O-N 3.21Å; E378-E382 PolarHBondContact O-N 3.1Å; E378-R416 HydrophobicContact CB-CG 4.1Å; E378-R416 WeakPolarHBondContact OE2-CD 3.29Å; E378-R416 IonicContact OE2-CZ 2.86Å; E378-R416 IonicContact OE2-NE 2.84Å; E378-R416 IonicContact OE2-NH1 2.92Å; E378-R416 PolarHBondContact OE2-NH1 3.11Å
379	V	95.2	Very high	92.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63.7	-40.5	178.8	171.9	0	0	0	0	111.7	W344 W351 L375 M376 Y381 G383 A413 R416 L417 F524	W344-V379 HydrophobicContact CH2-CG1 4.18Å; W351-V379 HydrophobicContact CH2-CB 4.06Å; W351-V379 HydrophobicContact CH2-CG1 3.63Å; W351-V379 HydrophobicContact CZ3-CB 4.3Å; W351-V379 HydrophobicContact CZ3-CG1 3.78Å; L375-V379 HydrophobicContact CD1-CG2 4.04Å; L375-V379 HydrophobicContact CG-CG2 4.28Å; L375-V379 WeakPolarHBondContact O-CB 3.43Å; L375-V379 WeakPolarHBondContact O-CG2 3.49Å; L375-V379 PolarHBondContact O-N 3.06Å; M376-V379 PolarHBondContact O-N 2.75Å; V379-Y381 VanDerWaalsContact C-N 3.33Å; V379-G383 PolarHBondContact O-N 3.1Å; V379-A413 HydrophobicContact CG1-CB 3.83Å; V379-R416 HydrophobicContact CG2-CB 4.05Å; V379-R416 HydrophobicContact CG2-CG 3.74Å; V379-L417 HydrophobicContact CG1-CD1 4.42Å; V379-L417 HydrophobicContact CG1-CG 4.16Å; V379-L417 HydrophobicContact CG2-CD2 3.71Å; V379-L417 HydrophobicContact CG2-CG 3.64Å; V379-F524 HydrophobicContact CG1-CE1 4.21Å; V379-F524 HydrophobicContact CG1-CZ 3.93Å
380	K	95.9	Very high	93.7	Very high	57 Å²	57	40 Å²	40	25%	0.248	20%	0.195	C	C	.	.	H	α-helix	trans	-70.9	-27.5	174.8	-73.6	179.8	175.8	175.4	0	113	W344 W351 M376 N377 E378 G383	W344-K380 HydrophobicContact CD2-CG 3.89Å; W344-K380 HydrophobicContact CE3-CB 4.33Å; W344-K380 HydrophobicContact CE3-CG 4.02Å; W344-K380 HydrophobicContact CG-CG 4.21Å; W344-K380 HydrophobicContact CZ3-CG 4.49Å; W351-K380 HydrophobicContact CZ3-CG 4.31Å; W351-K380 WeakPolarHBondContact O-CE 3.48Å; W351-K380 PolarHBondContact O-NZ 3.45Å; M376-K380 HydrophobicContact CG-CD 4.46Å; M376-K380 WeakPolarHBondContact O-CB 3.12Å; M376-K380 WeakPolarHBondContact O-CG 3.36Å; M376-K380 PolarHBondContact O-N 2.67Å; N377-K380 PolarHBondContact O-N 2.77Å; E378-K380 PolarHBondContact O-N 3.36Å; K380-G383 PolarHBondContact O-N 2.98Å
381	Y	96.2	Very high	93.7	Very high	164 Å²	164	39.7 Å²	39.7	64%	0.643	20%	0.196	S	C	*	.	H	α-helix	trans	-73	-39.9	175	-175.2	-93.7	0	0	0	112.5	G342 N377 E378 V379 G383	G342-Y381 PolarHBondContact N-O 3.09Å; N377-Y381 WeakPolarHBondContact O-CB 3.41Å; N377-Y381 PolarHBondContact O-N 3.44Å; E378-Y381 WeakPolarHBondContact O-CB 3.34Å; E378-Y381 PolarHBondContact O-N 3.21Å; V379-Y381 VanDerWaalsContact C-N 3.33Å; Y381-G383 PolarHBondContact O-N 3.45Å
382	E	95.4	Very high	93.4	Very high	36 Å²	36	41.7 Å²	41.7	17%	0.168	21%	0.208	C	C	.	.	H	α-helix	trans	-56	-36.3	170	-69.1	-58	132.8	0	0	111.9	H341 E378 N412 A413 R416	H341-E382 PolarHBondContact CD2-O 2.88Å; E378-E382 PolarHBondContact O-N 3.1Å; E382-N412 HydrophobicContact CB-CB 4.39Å; E382-A413 HydrophobicContact CB-CB 4.42Å; E382-R416 HydrophobicContact CG-CB 4.1Å; E382-R416 HydrophobicContact CG-CG 4.33Å; E382-R416 IonicContact OE1-CZ 2.84Å; E382-R416 IonicContact OE1-NH1 2.82Å; E382-R416 IonicContact OE1-NH2 2.68Å; E382-R416 PolarHBondContact OE1-NH2 2.86Å
383	G	95.9	Very high	93	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.01	20%	0.195	C	C	.	.			trans	68.9	-132.2	175	0	0	0	0	0	112.4	L343 V379 K380 Y381	L343-G383 WeakPolarHBondContact O-CA 3.42Å; V379-G383 PolarHBondContact O-N 3.1Å; K380-G383 PolarHBondContact O-N 2.98Å; Y381-G383 PolarHBondContact O-N 3.45Å
384	F	96.7	Very high	92.1	Very high	4 Å²	4	37 Å²	37	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	170.7	-173.1	65	-77.3	0	0	0	112.4	F252 C340 L343 P345 L386 L408 D409 F410	F252-F384 HydrophobicContact CD1-CZ 4.26Å; F252-F384 HydrophobicContact CD2-CE2 4.17Å; F252-F384 AromaticContact CD2-CZ 3.97Å; F252-F384 HydrophobicContact CD2-CZ 3.97Å; F252-F384 AromaticContact CE1-CZ 3.84Å; F252-F384 HydrophobicContact CE1-CZ 3.84Å; F252-F384 AromaticContact CE2-CE2 3.56Å; F252-F384 HydrophobicContact CE2-CE2 3.56Å; F252-F384 AromaticContact CE2-CZ 3.5Å; F252-F384 HydrophobicContact CE2-CZ 3.5Å; F252-F384 VanDerWaalsContact CE2-CZ 3.5Å; F252-F384 HydrophobicContact CG-CZ 4.32Å; F252-F384 HydrophobicContact CZ-CE1 4.35Å; F252-F384 AromaticContact CZ-CE2 3.85Å; F252-F384 HydrophobicContact CZ-CE2 3.85Å; F252-F384 AromaticContact CZ-CZ 3.43Å; F252-F384 HydrophobicContact CZ-CZ 3.43Å; F252-F384 VanDerWaalsContact CZ-CZ 3.43Å; C340-F384 WeakPolarHBondContact CA-O 3.39Å; C340-F384 HydrophobicContact CB-CD1 3.88Å; C340-F384 HydrophobicContact CB-CD2 4.12Å; C340-F384 HydrophobicContact CB-CE1 3.58Å; C340-F384 HydrophobicContact CB-CE2 3.83Å; C340-F384 HydrophobicContact CB-CG 4.14Å; C340-F384 HydrophobicContact CB-CZ 3.54Å; C340-F384 WeakPolarHBondContact CB-O 3.02Å; C340-F384 PolarHBondContact N-O 3.44Å; C340-F384 PolarHBondContact O-N 2.87Å; L343-F384 HydrophobicContact CB-CE1 3.83Å; L343-F384 WeakPolarHBondContact O-CD1 3.49Å; L343-F384 WeakPolarHBondContact O-CE1 3.42Å; P345-F384 HydrophobicContact CG-CD1 3.58Å; P345-F384 HydrophobicContact CG-CD2 4.07Å; P345-F384 HydrophobicContact CG-CE1 3.65Å; P345-F384 HydrophobicContact CG-CE2 4.13Å; P345-F384 HydrophobicContact CG-CG 3.8Å; P345-F384 HydrophobicContact CG-CZ 3.94Å; F384-L386 HydrophobicContact CD2-CD2 4.33Å; F384-L386 HydrophobicContact CD2-CG 4.43Å; F384-L386 HydrophobicContact CE2-CD2 3.79Å; F384-L386 HydrophobicContact CE2-CG 3.91Å; F384-L408 HydrophobicContact CD2-CD2 3.64Å; F384-L408 HydrophobicContact CE2-CD2 3.54Å; F384-L408 HydrophobicContact CZ-CD2 4.43Å; F384-D409 CarbonylContact C-O 3.59Å; F384-D409 VanDerWaalsContact CA-O 3.32Å; F384-D409 WeakPolarHBondContact CA-O 3.34Å; F384-D409 WeakPolarHBondContact CB-O 3.4Å; F384-F410 HydrophobicContact CB-CD1 4.08Å; F384-F410 HydrophobicContact CB-CE1 4.18Å
385	C	97.1	Very high	90.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150.3	170.6	-60.5	0	0	0	0	110.3	F338 L387 D409	F338-C385 CarbonylContact O-C 3.3Å; F338-C385 WeakPolarHBondContact O-CA 3.32Å; C385-L387 HydrophobicContact CB-CD2 4.06Å; C385-D409 HydrophobicContact CB-CB 4.2Å; C385-D409 PolarHBondContact N-O 3.48Å; C385-D409 PolarHBondContact O-N 2.99Å
386	L	97.3	Very high	88.9	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	103	170.4	-73.6	176.5	0	0	0	107.9	M247 F252 A262 L264 A337 F338 F384 W406 L407 L408	M247-L386 HydrophobicContact CE-CD1 4.15Å; F252-L386 HydrophobicContact CD2-CD1 4.15Å; F252-L386 HydrophobicContact CD2-CD2 4.31Å; F252-L386 HydrophobicContact CE2-CD2 4.08Å; A262-L386 HydrophobicContact CB-CD2 4.17Å; L264-L386 HydrophobicContact CD1-CD1 3.99Å; L264-L386 HydrophobicContact CD2-CD1 3.77Å; L264-L386 HydrophobicContact CG-CD1 3.96Å; A337-L386 CarbonylContact C-O 3.48Å; A337-L386 WeakPolarHBondContact CA-O 3.48Å; A337-L386 VanDerWaalsContact CB-O 3.3Å; A337-L386 WeakPolarHBondContact CB-O 3.16Å; F338-L386 HydrophobicContact CB-CB 4.37Å; F338-L386 PolarHBondContact N-O 3.04Å; F338-L386 PolarHBondContact O-N 3.46Å; F384-L386 HydrophobicContact CD2-CD2 4.33Å; F384-L386 HydrophobicContact CD2-CG 4.43Å; F384-L386 HydrophobicContact CE2-CD2 3.79Å; F384-L386 HydrophobicContact CE2-CG 3.91Å; L386-W406 HydrophobicContact CB-CB 3.93Å; L386-W406 HydrophobicContact CB-CD2 4.44Å; L386-W406 HydrophobicContact CB-CE3 4.16Å; L386-W406 HydrophobicContact CB-CG 4.38Å; L386-W406 HydrophobicContact CD2-CB 3.88Å; L386-W406 HydrophobicContact CG-CB 4.39Å; L386-L407 CarbonylContact C-O 3.59Å; L386-L407 WeakPolarHBondContact CA-O 3.5Å; L386-L408 HydrophobicContact CD2-CD2 3.96Å
387	L	97.1	Very high	87.1	Confident	2 Å²	2	46 Å²	46	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	135.5	-176.8	-55.3	-173	0	0	0	111.8	T241 T335 A337 C385 Q389 L407 D409	T241-L387 HydrophobicContact CG2-CD2 3.97Å; T335-L387 HydrophobicContact CG2-CB 3.88Å; T335-L387 HydrophobicContact CG2-CD1 4.48Å; T335-L387 HydrophobicContact CG2-CD2 4.13Å; T335-L387 HydrophobicContact CG2-CG 4.38Å; A337-L387 HydrophobicContact CB-CD2 3.64Å; C385-L387 HydrophobicContact CB-CD2 4.06Å; L387-Q389 HydrophobicContact CB-CG 4.27Å; L387-Q389 PolarHBondContact O-N 2.96Å; L387-Q389 VanDerWaalsContact O-N 3.17Å; L387-L407 HydrophobicContact CB-CB 4.35Å; L387-L407 PolarHBondContact N-O 3.49Å; L387-L407 PolarHBondContact O-N 3.25Å; L387-D409 HydrophobicContact CD1-CB 3.6Å; L387-D409 HydrophobicContact CD2-CB 4.19Å; L387-D409 HydrophobicContact CG-CB 3.63Å
388	S	96.3	Very high	85	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.014	23%	0.233	C	C	.	.			trans	-85.8	77.4	168.3	-172	0	0	0	0	111.1	A289 R293 P336	A289-S388 PolarHBondContact O-OG 3.09Å; R293-S388 WeakPolarHBondContact CB-OG 3.3Å; R293-S388 WeakPolarHBondContact CD-O 3.47Å; R293-S388 PolarHBondContact NH1-O 2.93Å; R293-S388 VanDerWaalsContact NH1-O 3.16Å; R293-S388 PolarHBondContact NH1-OG 3.03Å; P336-S388 VanDerWaalsContact O-CB 3.27Å; P336-S388 WeakPolarHBondContact O-CB 3.26Å; P336-S388 PolarHBondContact O-N 3.31Å
389	Q	92.8	Very high	83	Confident	10 Å²	10	50 Å²	50	5%	0.047	24%	0.239	C	C	.	.			trans	-117.4	176.5	173.7	-71	172.8	-21.3	0	0	110.8	E239 R293 T335 L387 L407	E239-Q389 PolarHBondContact OE1-NE2 2.76Å; R293-Q389 VanDerWaalsContact CZ-C 3.44Å; R293-Q389 VanDerWaalsContact CZ-O 3.29Å; R293-Q389 VanDerWaalsContact NH1-C 3.25Å; R293-Q389 PolarHBondContact NH1-O 3.01Å; R293-Q389 PolarHBondContact NH2-O 3.37Å; R293-Q389 VanDerWaalsContact NH2-O 3.09Å; T335-Q389 HydrophobicContact CG2-CG 3.66Å; T335-Q389 PolarHBondContact OG1-NE2 2.92Å; L387-Q389 HydrophobicContact CB-CG 4.27Å; L387-Q389 PolarHBondContact O-N 2.96Å; L387-Q389 VanDerWaalsContact O-N 3.17Å; Q389-L407 HydrophobicContact CB-CD1 3.88Å; Q389-L407 HydrophobicContact CB-CG 4.26Å
390	E	88.4	Confident	81.4	Confident	41 Å²	41	55.6 Å²	55.6	19%	0.192	27%	0.273	C	S	.	.			trans	-84.1	152.8	161.7	-57.1	175	178.3	0	0	108.4	Y14 S320 K395 L407	Y14-E390 HydrophobicContact CE2-CB 3.52Å; Y14-E390 VanDerWaalsContact CE2-O 3.24Å; Y14-E390 WeakPolarHBondContact CE2-O 3.38Å; Y14-E390 WeakPolarHBondContact OH-CB 3.42Å; Y14-E390 PolarHBondContact OH-O 3.44Å; S320-E390 VanDerWaalsContact CB-OE1 3.31Å; S320-E390 WeakPolarHBondContact CB-OE1 3.37Å; S320-E390 PolarHBondContact N-OE1 3.49Å; S320-E390 WeakPolarHBondContact OG-CG 3.44Å; S320-E390 PolarHBondContact OG-OE1 3Å; E390-K395 WeakPolarHBondContact OE2-CE 3.48Å; E390-K395 IonicContact OE2-NZ 3.21Å; E390-K395 PolarHBondContact OE2-NZ 3.02Å; E390-K395 VanDerWaalsContact OE2-NZ 3.12Å; E390-L407 WeakPolarHBondContact O-CD1 3.24Å
391	S	86.3	Confident	79.5	Confident	10 Å²	10	56 Å²	56	7%	0.07	29%	0.287	C	S	.	.			trans	-107.7	138.3	170.4	155.9	0	0	0	0	112.1	Y14 Y393 T394	Y14-S391 VanDerWaalsContact OH-CA 3.3Å; Y14-S391 WeakPolarHBondContact OH-CA 3.34Å; Y14-S391 PolarHBondContact OH-N 3.08Å; Y14-S391 PolarHBondContact OH-O 2.89Å; S391-Y393 PolarHBondContact O-N 3.14Å; S391-Y393 PolarHBondContact OG-N 3.36Å; S391-T394 PolarHBondContact O-N 3.12Å; S391-T394 PolarHBondContact O-OG1 2.7Å; S391-T394 VanDerWaalsContact O-OG1 3.11Å
392	V	83.1	Confident	77.9	Confident	43 Å²	43	49.6 Å²	49.6	26%	0.261	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-58.4	-24.9	-179.6	-171.4	0	0	0	0	111.4	Y14 T394 R532	Y14-V392 HydrophobicContact CD1-CG2 4.1Å; Y14-V392 HydrophobicContact CE1-CB 4.24Å; Y14-V392 HydrophobicContact CE1-CG2 3.73Å; Y14-V392 PolarHBondContact OH-N 3.15Å; V392-T394 VanDerWaalsContact C-N 3.27Å; V392-T394 PolarHBondContact O-N 3.21Å; V392-R532 HydrophobicContact CB-CG 4.35Å; V392-R532 HydrophobicContact CG1-CG 3.87Å
393	Y	82	Confident	76.7	Confident	50 Å²	50	48.1 Å²	48.1	20%	0.196	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-74.6	-13.2	178.4	-66.8	-95.1	0	0	0	114	P259 S391 L528 D529 R532	P259-Y393 HydrophobicContact CB-CD1 3.89Å; P259-Y393 HydrophobicContact CB-CD2 4.28Å; P259-Y393 HydrophobicContact CB-CE1 4.2Å; P259-Y393 HydrophobicContact CB-CG 3.93Å; P259-Y393 HydrophobicContact CG-CD1 4.07Å; P259-Y393 HydrophobicContact CG-CG 4.33Å; S391-Y393 PolarHBondContact O-N 3.14Å; S391-Y393 PolarHBondContact OG-N 3.36Å; Y393-L528 HydrophobicContact CD2-CD1 3.94Å; Y393-L528 HydrophobicContact CE2-CD1 3.28Å; Y393-L528 HydrophobicContact CE2-CG 4.14Å; Y393-D529 PolarHBondContact OH-N 2.65Å; Y393-D529 PolarHBondContact OH-O 3.08Å; Y393-R532 HydrophobicContact CE1-CG 4.17Å; Y393-R532 HydrophobicContact CE2-CB 4.17Å; Y393-R532 HydrophobicContact CE2-CG 3.99Å
394	T	70.3	Confident	76.3	Confident	25 Å²	25	49.7 Å²	49.7	15%	0.153	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-103.9	1.4	-173.1	82.2	0	0	0	0	113.9	S391 V392 E402	S391-T394 PolarHBondContact O-N 3.12Å; S391-T394 PolarHBondContact O-OG1 2.7Å; S391-T394 VanDerWaalsContact O-OG1 3.11Å; V392-T394 VanDerWaalsContact C-N 3.27Å; V392-T394 PolarHBondContact O-N 3.21Å; T394-E402 WeakPolarHBondContact CA-OE2 3.37Å; T394-E402 WeakPolarHBondContact CB-OE2 3.42Å; T394-E402 HydrophobicContact CG2-CB 3.71Å; T394-E402 HydrophobicContact CG2-CG 4.48Å
395	K	61.9	Low	76.1	Confident	108 Å²	108	49.7 Å²	49.7	47%	0.47	27%	0.267	S	S	.	.	S	Bend	trans	-79.4	-28.5	-178.2	-74.4	-165.5	168.8	173.1	0	113.3	Y14 E390	Y14-K395 HydrophobicContact CD1-CD 4.38Å; Y14-K395 VanDerWaalsContact CD1-NZ 3.31Å; Y14-K395 HydrophobicContact CE1-CD 3.68Å; Y14-K395 HydrophobicContact CE1-CG 4.38Å; E390-K395 WeakPolarHBondContact OE2-CE 3.48Å; E390-K395 IonicContact OE2-NZ 3.21Å; E390-K395 PolarHBondContact OE2-NZ 3.02Å; E390-K395 VanDerWaalsContact OE2-NZ 3.12Å
396	D	56.6	Low	76.1	Confident	125 Å²	125	49.7 Å²	49.7	67%	0.668	27%	0.266	S	S	*	.	S	Bend	trans	-90.2	-6.6	-174.7	-54.1	-33.2	0	0	0	113.3	R532	D396-R532 IonicContact OD2-NH2 3.81Å
397	K	54.7	Low	76	Confident	131 Å²	131	51 Å²	51	57%	0.57	27%	0.273	S	S	*	.			trans	-123.2	128.9	-174.8	-64.6	177.9	-176.2	174.4	0	110.9	A399 E402	K397-A399 HydrophobicContact CB-CB 4.26Å; K397-A399 PolarHBondContact O-N 3Å; K397-E402 WeakPolarHBondContact CD-OE1 3.44Å; K397-E402 IonicContact NZ-OE1 3.16Å
398	Q	51.1	Low	76	Confident	200 Å²	200	51 Å²	51	94%	0.935	27%	0.273	S	S	*	.			trans	-70.9	22.6	172.5	-66.8	-179.1	-15.1	0	0	113.5	T400	Q398-T400 PolarHBondContact O-N 2.87Å
399	A	53.7	Low	76	Confident	40 Å²	40	50.9 Å²	50.9	33%	0.331	27%	0.273	S	S	.	.			trans	-70.8	101.8	-178.3	0	0	0	0	0	110.4	K397 A401 E402	K397-A399 HydrophobicContact CB-CB 4.26Å; K397-A399 PolarHBondContact O-N 3Å; A399-A401 PolarHBondContact O-N 3.41Å; A399-A401 VanDerWaalsContact O-N 3.16Å; A399-E402 HydrophobicContact CB-CB 4.24Å; A399-E402 HydrophobicContact CB-CG 3.79Å; A399-E402 PolarHBondContact O-N 3.11Å
400	T	60.5	Low	76.2	Confident	116 Å²	116	50.4 Å²	50.4	71%	0.712	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-33.5	177	47.7	0	0	0	0	112.9	Q398	Q398-T400 PolarHBondContact O-N 2.87Å
401	A	56.7	Low	76.5	Confident	66 Å²	66	48.6 Å²	48.6	55%	0.545	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-38.7	179.5	0	0	0	0	0	114.2	A399 G403 D404	A399-A401 PolarHBondContact O-N 3.41Å; A399-A401 VanDerWaalsContact O-N 3.16Å; A401-G403 PolarHBondContact O-N 2.62Å; A401-D404 PolarHBondContact O-N 2.97Å
402	E	61.9	Low	76.8	Confident	29 Å²	29	49.1 Å²	49.1	14%	0.136	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-64.7	-29.7	-178.7	-68.9	-179.5	-177.5	0	0	111.6	T394 K397 A399 D404 A405	T394-E402 WeakPolarHBondContact CA-OE2 3.37Å; T394-E402 WeakPolarHBondContact CB-OE2 3.42Å; T394-E402 HydrophobicContact CG2-CB 3.71Å; T394-E402 HydrophobicContact CG2-CG 4.48Å; K397-E402 WeakPolarHBondContact CD-OE1 3.44Å; K397-E402 IonicContact NZ-OE1 3.16Å; A399-E402 HydrophobicContact CB-CB 4.24Å; A399-E402 HydrophobicContact CB-CG 3.79Å; A399-E402 PolarHBondContact O-N 3.11Å; E402-D404 VanDerWaalsContact C-N 3.27Å; E402-D404 PolarHBondContact O-N 3.46Å; E402-A405 WeakPolarHBondContact O-CB 3.45Å; E402-A405 PolarHBondContact O-N 3.37Å
403	G	70.7	Confident	77.4	Confident	6 Å²	6	47 Å²	47	6%	0.062	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-66.9	-22.9	176.9	0	0	0	0	0	115.4	R290 A401	R290-G403 WeakPolarHBondContact CB-O 3.39Å; R290-G403 VanDerWaalsContact NH2-CA 3.29Å; A401-G403 PolarHBondContact O-N 2.62Å
404	D	86.7	Confident	78	Confident	34 Å²	34	44.7 Å²	44.7	18%	0.182	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-92.7	-4.5	-177.8	-71.9	-23.5	0	0	0	112.8	T282 S288 A289 A401 E402	T282-D404 VanDerWaalsContact CG2-OD2 3.24Å; T282-D404 WeakPolarHBondContact CG2-OD2 3.29Å; S288-D404 WeakPolarHBondContact CB-OD1 3.01Å; S288-D404 PolarHBondContact OG-OD1 3.15Å; A289-D404 PolarHBondContact N-O 3.18Å; A401-D404 PolarHBondContact O-N 2.97Å; E402-D404 VanDerWaalsContact C-N 3.27Å; E402-D404 PolarHBondContact O-N 3.46Å
405	A	93.8	Very high	79	Confident	4 Å²	4	44.4 Å²	44.4	3%	0.033	24%	0.239	C	C	.	.			trans	-77.6	156.6	-177.9	0	0	0	0	0	113.9	I258 V263 A289 E402	I258-A405 HydrophobicContact CD1-CB 3.43Å; I258-A405 VanDerWaalsContact CD1-CB 3.43Å; I258-A405 HydrophobicContact CG2-CB 4.1Å; V263-A405 HydrophobicContact CG1-CB 4.17Å; A289-A405 WeakPolarHBondContact CB-O 3.19Å; E402-A405 WeakPolarHBondContact O-CB 3.45Å; E402-A405 PolarHBondContact O-N 3.37Å
406	W	96.2	Very high	80.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.3	-179.8	-63.5	77.2	0	0	0	109.2	L244 G261 A262 L264 L287 A289 I292 F338 L386	L244-W406 HydrophobicContact CD1-CH2 4.4Å; G261-W406 CarbonylContact C-O 3.57Å; G261-W406 WeakPolarHBondContact CA-O 3.37Å; A262-W406 PolarHBondContact N-O 2.95Å; A262-W406 PolarHBondContact O-N 2.91Å; L264-W406 HydrophobicContact CD1-CD2 4.38Å; L264-W406 HydrophobicContact CD1-CG 4.5Å; L287-W406 HydrophobicContact CD2-CZ2 4.08Å; L287-W406 HydrophobicContact CG-CZ2 4.12Å; L287-W406 PolarHBondContact O-NE1 2.66Å; A289-W406 HydrophobicContact CB-CD2 3.82Å; A289-W406 HydrophobicContact CB-CE3 4.32Å; A289-W406 HydrophobicContact CB-CG 4.06Å; A289-W406 HydrophobicContact CB-CZ2 4.1Å; I292-W406 HydrophobicContact CD1-CH2 3.83Å; I292-W406 HydrophobicContact CD1-CZ2 3.92Å; F338-W406 HydrophobicContact CD2-CE3 4.15Å; F338-W406 AromaticContact CD2-CH2 3.74Å; F338-W406 HydrophobicContact CD2-CH2 3.74Å; F338-W406 HydrophobicContact CD2-CZ2 4.13Å; F338-W406 AromaticContact CD2-CZ3 3.74Å; F338-W406 HydrophobicContact CD2-CZ3 3.74Å; F338-W406 AromaticContact CE2-CH2 3.32Å; F338-W406 HydrophobicContact CE2-CH2 3.32Å; F338-W406 AromaticContact CE2-CZ2 3.58Å; F338-W406 HydrophobicContact CE2-CZ2 3.58Å; F338-W406 AromaticContact CE2-CZ3 3.83Å; F338-W406 HydrophobicContact CE2-CZ3 3.83Å; F338-W406 HydrophobicContact CZ-CH2 4.29Å; L386-W406 HydrophobicContact CB-CB 3.93Å; L386-W406 HydrophobicContact CB-CD2 4.44Å; L386-W406 HydrophobicContact CB-CE3 4.16Å; L386-W406 HydrophobicContact CB-CG 4.38Å; L386-W406 HydrophobicContact CD2-CB 3.88Å; L386-W406 HydrophobicContact CG-CB 4.39Å
407	L	95.7	Very high	82.3	Confident	28 Å²	28	35.6 Å²	35.6	15%	0.147	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.9	-179.8	-50.6	-163.4	0	0	0	110.6	L386 L387 Q389 E390	L386-L407 CarbonylContact C-O 3.59Å; L386-L407 WeakPolarHBondContact CA-O 3.5Å; L387-L407 HydrophobicContact CB-CB 4.35Å; L387-L407 PolarHBondContact N-O 3.49Å; L387-L407 PolarHBondContact O-N 3.25Å; Q389-L407 HydrophobicContact CB-CD1 3.88Å; Q389-L407 HydrophobicContact CB-CG 4.26Å; E390-L407 WeakPolarHBondContact O-CD1 3.24Å
408	L	96.7	Very high	84.1	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	130.2	170.6	-62	174.1	0	0	0	108.6	R11 F252 G260 A262 P345 S347 F384 L386 F410 L525	R11-L408 PolarHBondContact NH1-O 3.5Å; F252-L408 HydrophobicContact CE2-CD2 3.91Å; F252-L408 HydrophobicContact CZ-CD2 4.09Å; G260-L408 PolarHBondContact O-N 3Å; A262-L408 HydrophobicContact CB-CD2 4.01Å; A262-L408 HydrophobicContact CB-CG 4.49Å; P345-L408 HydrophobicContact CB-CD1 3.95Å; P345-L408 HydrophobicContact CB-CD2 4.23Å; P345-L408 HydrophobicContact CG-CD1 4.23Å; P345-L408 HydrophobicContact CG-CD2 3.9Å; S347-L408 WeakPolarHBondContact OG-CD1 3.47Å; F384-L408 HydrophobicContact CD2-CD2 3.64Å; F384-L408 HydrophobicContact CE2-CD2 3.54Å; F384-L408 HydrophobicContact CZ-CD2 4.43Å; L386-L408 HydrophobicContact CD2-CD2 3.96Å; L408-F410 HydrophobicContact CB-CE2 4Å; L408-F410 HydrophobicContact CB-CZ 4.46Å; L408-L525 HydrophobicContact CD1-CD1 4.29Å
409	D	96.5	Very high	85.7	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	123.3	176.4	171.9	81.7	0	0	0	111	R231 F384 C385 L387 Y411	R231-D409 IonicContact CZ-OD1 2.7Å; R231-D409 IonicContact CZ-OD2 2.96Å; R231-D409 VanDerWaalsContact NH1-CG 3.26Å; R231-D409 IonicContact NH1-OD1 2.75Å; R231-D409 PolarHBondContact NH1-OD1 3.41Å; R231-D409 IonicContact NH1-OD2 2.81Å; R231-D409 PolarHBondContact NH1-OD2 3.36Å; R231-D409 VanDerWaalsContact NH1-OD2 3.13Å; R231-D409 IonicContact NH2-OD1 3.84Å; R231-D409 IonicContact NH2-OD2 3.81Å; R231-D409 PolarHBondContact NH2-OD2 3.33Å; F384-D409 CarbonylContact C-O 3.59Å; F384-D409 VanDerWaalsContact CA-O 3.32Å; F384-D409 WeakPolarHBondContact CA-O 3.34Å; F384-D409 WeakPolarHBondContact CB-O 3.4Å; C385-D409 HydrophobicContact CB-CB 4.2Å; C385-D409 PolarHBondContact N-O 3.48Å; C385-D409 PolarHBondContact O-N 2.99Å; L387-D409 HydrophobicContact CD1-CB 3.6Å; L387-D409 HydrophobicContact CD2-CB 4.19Å; L387-D409 HydrophobicContact CG-CB 3.63Å; D409-Y411 VanDerWaalsContact OD2-CB 3.26Å; D409-Y411 WeakPolarHBondContact OD2-CB 3.41Å; D409-Y411 PolarHBondContact OD2-N 3.37Å
410	F	96.8	Very high	86.9	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.			trans	-102	20.3	-171.8	-65.6	-88.9	0	0	0	112.7	W344 P345 A348 F384 L408 N412 A413 E414 H522 F524 L525	W344-F410 AromaticContact CH2-CD1 3.65Å; W344-F410 HydrophobicContact CH2-CD1 3.65Å; W344-F410 AromaticContact CH2-CE1 3.83Å; W344-F410 HydrophobicContact CH2-CE1 3.83Å; W344-F410 HydrophobicContact CZ2-CD1 4.21Å; W344-F410 AromaticContact CZ2-CE1 3.98Å; W344-F410 HydrophobicContact CZ2-CE1 3.98Å; W344-F410 AromaticContact CZ3-CD1 3.96Å; W344-F410 HydrophobicContact CZ3-CD1 3.96Å; W344-F410 HydrophobicContact CZ3-CE1 4.12Å; P345-F410 HydrophobicContact CB-CZ 4.4Å; P345-F410 HydrophobicContact CG-CE1 3.86Å; P345-F410 HydrophobicContact CG-CZ 3.73Å; A348-F410 HydrophobicContact CB-CE1 4.09Å; A348-F410 HydrophobicContact CB-CZ 3.84Å; F384-F410 HydrophobicContact CB-CD1 4.08Å; F384-F410 HydrophobicContact CB-CE1 4.18Å; L408-F410 HydrophobicContact CB-CE2 4Å; L408-F410 HydrophobicContact CB-CZ 4.46Å; F410-N412 PolarHBondContact O-N 2.87Å; F410-A413 HydrophobicContact CB-CB 4.42Å; F410-A413 CarbonylContact O-C 3.51Å; F410-A413 WeakPolarHBondContact O-CA 3.35Å; F410-A413 WeakPolarHBondContact O-CB 3.5Å; F410-A413 PolarHBondContact O-N 3.49Å; F410-E414 HydrophobicContact CB-CG 4.31Å; F410-E414 WeakPolarHBondContact O-CG 3.25Å; F410-E414 PolarHBondContact O-N 3.12Å; F410-H522 AromaticContact CD2-CE1 3.74Å; F410-H522 AromaticContact CE2-CE1 3.97Å; F410-F524 HydrophobicContact CB-CD2 3.51Å; F410-F524 HydrophobicContact CB-CE2 3.65Å; F410-F524 HydrophobicContact CD1-CB 4.43Å; F410-F524 AromaticContact CD1-CD2 3.89Å; F410-F524 HydrophobicContact CD1-CD2 3.89Å; F410-F524 HydrophobicContact CD1-CE2 4.31Å; F410-F524 HydrophobicContact CD1-CG 4.24Å; F410-F524 HydrophobicContact CD2-CB 4.26Å; F410-F524 HydrophobicContact CD2-CD2 4.09Å; F410-F524 HydrophobicContact CE1-CB 4.38Å; F410-F524 HydrophobicContact CE2-CB 4.23Å; F410-F524 HydrophobicContact CG-CB 4.36Å; F410-F524 AromaticContact CG-CD2 3.57Å; F410-F524 HydrophobicContact CG-CD2 3.57Å; F410-F524 HydrophobicContact CG-CE2 4.11Å; F410-F524 HydrophobicContact CG-CG 4.23Å; F410-F524 HydrophobicContact CZ-CB 4.27Å; F410-L525 HydrophobicContact CE2-CD1 3.87Å; F410-L525 HydrophobicContact CE2-CD2 4.35Å; F410-L525 HydrophobicContact CE2-CG 3.97Å; F410-L525 HydrophobicContact CZ-CD2 4.36Å; F410-L525 HydrophobicContact CZ-CG 4.43Å
411	Y	94.1	Very high	87.9	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-52.9	-47.6	-164.2	172.2	-116.1	0	0	0	114.5	Y8 P9 R231 D409 A413 E414 E415	Y8-Y411 VanDerWaalsContact C-OH 3.25Å; Y8-Y411 PolarHBondContact O-OH 3.36Å; P9-Y411 WeakPolarHBondContact CA-OH 3.48Å; P9-Y411 HydrophobicContact CB-CD2 4.16Å; P9-Y411 HydrophobicContact CB-CE1 3.94Å; P9-Y411 HydrophobicContact CB-CE2 3.58Å; P9-Y411 VanDerWaalsContact CB-CZ 3.44Å; R231-Y411 VanDerWaalsContact NH2-CB 3.32Å; D409-Y411 VanDerWaalsContact OD2-CB 3.26Å; D409-Y411 WeakPolarHBondContact OD2-CB 3.41Å; D409-Y411 PolarHBondContact OD2-N 3.37Å; Y411-A413 PolarHBondContact O-N 3.19Å; Y411-E414 PolarHBondContact O-N 2.83Å; Y411-E415 HydrophobicContact CD2-CG 4.27Å; Y411-E415 HydrophobicContact CE1-CG 4.42Å; Y411-E415 HydrophobicContact CE2-CG 3.35Å; Y411-E415 VanDerWaalsContact CZ-CG 3.46Å; Y411-E415 PolarHBondContact O-N 2.89Å; Y411-E415 VanDerWaalsContact OH-CG 3.29Å; Y411-E415 WeakPolarHBondContact OH-CG 3.24Å
412	N	93.1	Very high	89.4	Confident	21 Å²	21	25 Å²	25	11%	0.112	13%	0.13	C	C	.	.	H	α-helix	trans	-68.3	-35.7	179.4	-61.2	-16.6	0	0	0	112.3	R339 E382 F410 E415 R416	R339-N412 PolarHBondContact NH1-ND2 2.88Å; R339-N412 VanDerWaalsContact NH1-ND2 3.2Å; E382-N412 HydrophobicContact CB-CB 4.39Å; F410-N412 PolarHBondContact O-N 2.87Å; N412-E415 PolarHBondContact O-N 3.45Å; N412-R416 WeakPolarHBondContact O-CB 3.48Å; N412-R416 PolarHBondContact O-N 3.26Å
413	A	95.3	Very high	90.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-66.6	-38.7	175.2	0	0	0	0	0	111.8	W344 V379 E382 F410 Y411 R416 L417 F524	W344-A413 HydrophobicContact CH2-CB 4.21Å; W344-A413 HydrophobicContact CZ3-CB 4.11Å; V379-A413 HydrophobicContact CG1-CB 3.83Å; E382-A413 HydrophobicContact CB-CB 4.42Å; F410-A413 HydrophobicContact CB-CB 4.42Å; F410-A413 CarbonylContact O-C 3.51Å; F410-A413 WeakPolarHBondContact O-CA 3.35Å; F410-A413 WeakPolarHBondContact O-CB 3.5Å; F410-A413 PolarHBondContact O-N 3.49Å; Y411-A413 PolarHBondContact O-N 3.19Å; A413-R416 PolarHBondContact O-N 3.5Å; A413-L417 PolarHBondContact O-N 3.21Å; A413-L417 VanDerWaalsContact O-N 3.11Å; A413-F524 HydrophobicContact CB-CE2 4.34Å; A413-F524 HydrophobicContact CB-CZ 4.27Å
414	E	95.3	Very high	92	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-66.4	-42.9	172.2	-64.2	171.8	-178.3	0	0	112.6	F410 Y411 R416 L417 L418 Y476 K479 L483 F524	F410-E414 HydrophobicContact CB-CG 4.31Å; F410-E414 WeakPolarHBondContact O-CG 3.25Å; F410-E414 PolarHBondContact O-N 3.12Å; Y411-E414 PolarHBondContact O-N 2.83Å; E414-R416 VanDerWaalsContact C-N 3.34Å; E414-L417 WeakPolarHBondContact O-CB 3.39Å; E414-L417 PolarHBondContact O-N 2.78Å; E414-L418 PolarHBondContact O-N 3.07Å; E414-Y476 WeakPolarHBondContact OE1-CE2 3.39Å; E414-Y476 PolarHBondContact OE1-OH 2.97Å; E414-Y476 WeakPolarHBondContact OE2-CE2 3.26Å; E414-K479 HydrophobicContact CB-CD 4.01Å; E414-K479 WeakPolarHBondContact OE2-CD 3.42Å; E414-K479 IonicContact OE2-NZ 3.13Å; E414-K479 PolarHBondContact OE2-NZ 2.69Å; E414-L483 HydrophobicContact CB-CD1 4.34Å; E414-L483 HydrophobicContact CG-CD1 4.14Å; E414-F524 HydrophobicContact CG-CD2 4.42Å; E414-F524 HydrophobicContact CG-CE2 3.77Å
415	E	91.5	Very high	92.3	Very high	19 Å²	19	25 Å²	25	9%	0.089	13%	0.126	C	C	.	.	H	α-helix	trans	-64.6	-40.7	175	-73	-54.6	124.7	0	0	111	Y411 N412 L417 L418 M419 R425 K479	Y411-E415 HydrophobicContact CD2-CG 4.27Å; Y411-E415 HydrophobicContact CE1-CG 4.42Å; Y411-E415 HydrophobicContact CE2-CG 3.35Å; Y411-E415 VanDerWaalsContact CZ-CG 3.46Å; Y411-E415 PolarHBondContact O-N 2.89Å; Y411-E415 VanDerWaalsContact OH-CG 3.29Å; Y411-E415 WeakPolarHBondContact OH-CG 3.24Å; N412-E415 PolarHBondContact O-N 3.45Å; E415-L417 VanDerWaalsContact C-N 3.3Å; E415-L417 PolarHBondContact O-N 3.24Å; E415-L418 CarbonylContact O-C 3.58Å; E415-L418 PolarHBondContact O-N 3.39Å; E415-M419 WeakPolarHBondContact O-CA 3.3Å; E415-M419 WeakPolarHBondContact O-CB 3.42Å; E415-M419 PolarHBondContact O-N 3.3Å; E415-R425 IonicContact OE2-CZ 3.83Å; E415-R425 IonicContact OE2-NH2 2.69Å; E415-R425 PolarHBondContact OE2-NH2 3.02Å; E415-K479 WeakPolarHBondContact OE1-CE 3.28Å; E415-K479 IonicContact OE1-NZ 3.91Å; E415-K479 PolarHBondContact OE1-NZ 3.22Å
416	R	93.5	Very high	92.3	Very high	47 Å²	47	26 Å²	26	18%	0.177	13%	0.13	C	C	.	.	H	α-helix	trans	-58.2	-41.5	175.6	-179	56	61.6	93.1	16.3	111.9	L375 E378 V379 E382 N412 A413 E414 L418 M419	L375-R416 HydrophobicContact CD1-CG 4.07Å; E378-R416 HydrophobicContact CB-CG 4.1Å; E378-R416 WeakPolarHBondContact OE2-CD 3.29Å; E378-R416 IonicContact OE2-CZ 2.86Å; E378-R416 IonicContact OE2-NE 2.84Å; E378-R416 IonicContact OE2-NH1 2.92Å; E378-R416 PolarHBondContact OE2-NH1 3.11Å; V379-R416 HydrophobicContact CG2-CB 4.05Å; V379-R416 HydrophobicContact CG2-CG 3.74Å; E382-R416 HydrophobicContact CG-CB 4.1Å; E382-R416 HydrophobicContact CG-CG 4.33Å; E382-R416 IonicContact OE1-CZ 2.84Å; E382-R416 IonicContact OE1-NH1 2.82Å; E382-R416 IonicContact OE1-NH2 2.68Å; E382-R416 PolarHBondContact OE1-NH2 2.86Å; N412-R416 WeakPolarHBondContact O-CB 3.48Å; N412-R416 PolarHBondContact O-N 3.26Å; A413-R416 PolarHBondContact O-N 3.5Å; E414-R416 VanDerWaalsContact C-N 3.34Å; R416-L418 PolarHBondContact O-N 2.9Å; R416-M419 PolarHBondContact O-N 3.03Å
417	L	93.7	Very high	92.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-26	174.7	-80.8	173	0	0	0	114.1	W351 P371 L375 V379 A413 E414 E415 H421 L483 Y523 F524	W351-L417 HydrophobicContact CH2-CD2 4.12Å; W351-L417 HydrophobicContact CZ2-CD1 4.11Å; W351-L417 HydrophobicContact CZ2-CD2 3.96Å; P371-L417 HydrophobicContact CB-CD2 3.91Å; P371-L417 HydrophobicContact CG-CD2 3.99Å; L375-L417 HydrophobicContact CD2-CD2 4.29Å; L375-L417 HydrophobicContact CG-CD2 4.33Å; V379-L417 HydrophobicContact CG1-CD1 4.42Å; V379-L417 HydrophobicContact CG1-CG 4.16Å; V379-L417 HydrophobicContact CG2-CD2 3.71Å; V379-L417 HydrophobicContact CG2-CG 3.64Å; A413-L417 PolarHBondContact O-N 3.21Å; A413-L417 VanDerWaalsContact O-N 3.11Å; E414-L417 WeakPolarHBondContact O-CB 3.39Å; E414-L417 PolarHBondContact O-N 2.78Å; E415-L417 VanDerWaalsContact C-N 3.3Å; E415-L417 PolarHBondContact O-N 3.24Å; L417-H421 PolarHBondContact O-CD2 3.02Å; L417-L483 HydrophobicContact CB-CD2 3.98Å; L417-L483 HydrophobicContact CD1-CD2 4.05Å; L417-Y523 HydrophobicContact CD1-CD1 4.4Å; L417-Y523 HydrophobicContact CD1-CE1 3.48Å; L417-Y523 VanDerWaalsContact CD1-CE1 3.48Å; L417-F524 HydrophobicContact CD1-CE1 4.05Å; L417-F524 HydrophobicContact CD1-CE2 4.42Å; L417-F524 HydrophobicContact CD1-CZ 3.54Å
418	L	92.2	Very high	92.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-105	-24	-178.7	-63	177.6	0	0	0	113.3	E414 E415 R416 N420 H421 R424 R425 Y428 K479 V482 L483	E414-L418 PolarHBondContact O-N 3.07Å; E415-L418 CarbonylContact O-C 3.58Å; E415-L418 PolarHBondContact O-N 3.39Å; R416-L418 PolarHBondContact O-N 2.9Å; L418-N420 PolarHBondContact O-N 2.96Å; L418-H421 PolarHBondContact O-N 3.12Å; L418-R424 HydrophobicContact CD2-CB 4.17Å; L418-R425 HydrophobicContact CB-CG 3.91Å; L418-R425 WeakPolarHBondContact O-CD 3.31Å; L418-R425 WeakPolarHBondContact O-CG 3.37Å; L418-Y428 HydrophobicContact CD1-CD1 4.43Å; L418-K479 HydrophobicContact CD1-CD 4.35Å; L418-K479 HydrophobicContact CD1-CG 4.04Å; L418-V482 HydrophobicContact CD2-CG1 4.19Å; L418-L483 HydrophobicContact CD1-CD2 4.39Å; L418-L483 HydrophobicContact CD2-CD2 3.95Å; L418-L483 HydrophobicContact CG-CD2 4.03Å
419	M	84.7	Confident	92.2	Very high	95 Å²	95	24.7 Å²	24.7	47%	0.468	12%	0.123	S	C	.	.	H	α-helix	trans	-51.7	-47.2	-165	-169.9	167.8	75.9	0	0	113.8	E415 R416 H421	E415-M419 WeakPolarHBondContact O-CA 3.3Å; E415-M419 WeakPolarHBondContact O-CB 3.42Å; E415-M419 PolarHBondContact O-N 3.3Å; R416-M419 PolarHBondContact O-N 3.03Å; M419-H421 VanDerWaalsContact C-N 3.28Å; M419-H421 PolarHBondContact O-N 3.35Å
420	N	79.6	Confident	92.1	Very high	102 Å²	102	24.6 Å²	24.6	55%	0.545	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	8.6	-174.7	-61.8	-18.1	0	0	0	113.6	L418	L418-N420 PolarHBondContact O-N 2.96Å
421	H	82.2	Confident	92.1	Very high	41 Å²	41	24.8 Å²	24.8	19%	0.19	12%	0.124	C	C	.	.			trans	-122.4	91.2	-173	-61.7	-53.8	0	0	0	111.9	L417 L418 M419 I423 R424 R425	L417-H421 PolarHBondContact O-CD2 3.02Å; L418-H421 PolarHBondContact O-N 3.12Å; M419-H421 VanDerWaalsContact C-N 3.28Å; M419-H421 PolarHBondContact O-N 3.35Å; H421-I423 PolarHBondContact O-N 2.95Å; H421-R424 HydrophobicContact CB-CB 3.79Å; H421-R424 HydrophobicContact CB-CG 3.95Å; H421-R424 PolarHBondContact CE1-NH1 3.32Å; H421-R424 VanDerWaalsContact CE1-NH1 3.27Å; H421-R424 PolarHBondContact ND1-NH1 3.16Å; H421-R424 PolarHBondContact O-N 3.5Å; H421-R425 PolarHBondContact O-N 3.13Å
422	T	86.8	Confident	92	Very high	93 Å²	93	24.8 Å²	24.8	57%	0.571	12%	0.124	S	C	*	.	H	α-helix	trans	-51.8	-52.9	-176.7	52	0	0	0	0	112.9	L3 R425 Q426	L3-T422 HydrophobicContact CD2-CG2 4.5Å; T422-R425 PolarHBondContact O-N 3.37Å; T422-Q426 WeakPolarHBondContact O-CB 3.49Å; T422-Q426 PolarHBondContact O-N 3.43Å
423	I	93.3	Very high	92	Very high	21 Å²	21	23.9 Å²	23.9	11%	0.108	12%	0.119	C	C	.	.	H	α-helix	trans	-67.9	-38.8	-178.1	-54.5	-55.8	0	0	0	112.3	H421 Q426 C427 W495 E497 L500	H421-I423 PolarHBondContact O-N 2.95Å; I423-Q426 PolarHBondContact O-N 3.31Å; I423-C427 WeakPolarHBondContact O-CB 3.42Å; I423-C427 PolarHBondContact O-N 3.36Å; I423-W495 VanDerWaalsContact CB-O 3.31Å; I423-W495 WeakPolarHBondContact CB-O 3.41Å; I423-W495 WeakPolarHBondContact CG1-O 3.3Å; I423-W495 WeakPolarHBondContact CG2-O 3.5Å; I423-E497 HydrophobicContact CD1-CG 3.67Å; I423-L500 HydrophobicContact CG2-CB 4.39Å; I423-L500 HydrophobicContact CG2-CD1 4.09Å
424	R	94.7	Very high	92	Very high	5 Å²	5	24 Å²	24	2%	0.019	12%	0.12	C	C	.	.	H	α-helix	trans	-62.2	-44.1	175.5	-66.4	176.9	-179.7	102.3	1.5	110.8	L418 H421 C427 Y428 C486 D492 W495	L418-R424 HydrophobicContact CD2-CB 4.17Å; H421-R424 HydrophobicContact CB-CB 3.79Å; H421-R424 HydrophobicContact CB-CG 3.95Å; H421-R424 PolarHBondContact CE1-NH1 3.32Å; H421-R424 VanDerWaalsContact CE1-NH1 3.27Å; H421-R424 PolarHBondContact ND1-NH1 3.16Å; H421-R424 PolarHBondContact O-N 3.5Å; R424-C427 WeakPolarHBondContact O-CB 3.46Å; R424-Y428 PolarHBondContact O-N 3.17Å; R424-Y428 VanDerWaalsContact O-N 3.12Å; R424-C486 VanDerWaalsContact CD-SG 3.57Å; R424-D492 IonicContact CZ-OD1 2.65Å; R424-D492 VanDerWaalsContact CZ-OD1 3.26Å; R424-D492 IonicContact NH1-OD1 3.99Å; R424-D492 PolarHBondContact NH1-OD1 3.41Å; R424-D492 IonicContact NH2-OD1 3.37Å; R424-D492 PolarHBondContact NH2-OD1 2.95Å; R424-W495 HydrophobicContact CB-CE3 4.27Å; R424-W495 HydrophobicContact CB-CZ3 4.49Å; R424-W495 HydrophobicContact CG-CB 4.3Å; R424-W495 HydrophobicContact CG-CD2 3.5Å; R424-W495 HydrophobicContact CG-CE3 3.49Å; R424-W495 VanDerWaalsContact CG-CE3 3.49Å; R424-W495 HydrophobicContact CG-CG 3.87Å; R424-W495 HydrophobicContact CG-CZ3 4.03Å
425	R	92.7	Very high	91.8	Very high	44 Å²	44	24.2 Å²	24.2	17%	0.166	12%	0.122	C	C	.	.	H	α-helix	trans	-68	-35.8	173.8	-68.7	-174.9	114.9	-121	-0.9	112.9	T6 E415 L418 H421 T422 Y428 S429	T6-R425 PolarHBondContact OG1-NH1 3.4Å; E415-R425 IonicContact OE2-CZ 3.83Å; E415-R425 IonicContact OE2-NH2 2.69Å; E415-R425 PolarHBondContact OE2-NH2 3.02Å; L418-R425 HydrophobicContact CB-CG 3.91Å; L418-R425 WeakPolarHBondContact O-CD 3.31Å; L418-R425 WeakPolarHBondContact O-CG 3.37Å; H421-R425 PolarHBondContact O-N 3.13Å; T422-R425 PolarHBondContact O-N 3.37Å; R425-Y428 PolarHBondContact O-N 2.95Å; R425-S429 WeakPolarHBondContact O-CB 3.41Å; R425-S429 PolarHBondContact O-N 3.18Å; R425-S429 PolarHBondContact O-OG 3.46Å
426	Q	93.8	Very high	91.6	Very high	23 Å²	23	25.4 Å²	25.4	11%	0.107	13%	0.129	C	C	.	.	H	α-helix	trans	-63	-48	175.2	-171.5	-179.4	5.7	0	0	110.8	Y106 T422 I423 Y428 S429 I430 L500	Y106-Q426 HydrophobicContact CD2-CG 3.67Å; Y106-Q426 HydrophobicContact CE2-CB 4.38Å; Y106-Q426 HydrophobicContact CE2-CG 3.74Å; Y106-Q426 HydrophobicContact CG-CG 4.44Å; T422-Q426 WeakPolarHBondContact O-CB 3.49Å; T422-Q426 PolarHBondContact O-N 3.43Å; I423-Q426 PolarHBondContact O-N 3.31Å; Q426-Y428 PolarHBondContact O-N 2.97Å; Q426-S429 PolarHBondContact O-N 3.23Å; Q426-S429 VanDerWaalsContact O-N 3.15Å; Q426-I430 HydrophobicContact CG-CD1 4.08Å; Q426-I430 WeakPolarHBondContact O-CG1 3.44Å; Q426-I430 PolarHBondContact O-N 2.79Å; Q426-L500 HydrophobicContact CG-CD2 4.19Å
427	C	96.2	Very high	91.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-53	-53.2	174	-172.8	0	0	0	0	111.5	I423 R424 S429 I430 L431 W495 L500	I423-C427 WeakPolarHBondContact O-CB 3.42Å; I423-C427 PolarHBondContact O-N 3.36Å; R424-C427 WeakPolarHBondContact O-CB 3.46Å; C427-S429 VanDerWaalsContact C-N 3.34Å; C427-S429 PolarHBondContact O-N 3.27Å; C427-I430 PolarHBondContact O-N 3.09Å; C427-L431 WeakPolarHBondContact O-CG 3.37Å; C427-L431 PolarHBondContact O-N 2.87Å; C427-W495 HydrophobicContact CB-CZ3 4.05Å; C427-L500 HydrophobicContact CB-CD1 3.5Å
428	Y	95.6	Very high	91.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-53.8	-49.4	175.1	178.1	-139	0	0	0	111.8	Y8 L418 R424 R425 Q426 I430 L431 K432 I478 K479 V482	Y8-Y428 HydrophobicContact CD2-CD1 4.5Å; Y8-Y428 HydrophobicContact CD2-CE1 4.2Å; Y8-Y428 HydrophobicContact CE2-CD1 4.39Å; Y8-Y428 HydrophobicContact CG-CE1 4.35Å; L418-Y428 HydrophobicContact CD1-CD1 4.43Å; R424-Y428 PolarHBondContact O-N 3.17Å; R424-Y428 VanDerWaalsContact O-N 3.12Å; R425-Y428 PolarHBondContact O-N 2.95Å; Q426-Y428 PolarHBondContact O-N 2.97Å; Y428-I430 VanDerWaalsContact C-N 3.34Å; Y428-I430 PolarHBondContact O-N 3.29Å; Y428-L431 PolarHBondContact O-N 2.88Å; Y428-K432 HydrophobicContact CD2-CD 4Å; Y428-K432 HydrophobicContact CD2-CG 3.79Å; Y428-K432 HydrophobicContact CE1-CD 4.09Å; Y428-K432 VanDerWaalsContact CE1-CE 3.49Å; Y428-K432 HydrophobicContact CE2-CD 3.4Å; Y428-K432 HydrophobicContact CE2-CG 3.56Å; Y428-K432 VanDerWaalsContact CZ-CD 3.45Å; Y428-K432 VanDerWaalsContact CZ-CE 3.4Å; Y428-K432 WeakPolarHBondContact O-CB 3.5Å; Y428-K432 VanDerWaalsContact O-CG 3.25Å; Y428-K432 WeakPolarHBondContact O-CG 3.41Å; Y428-K432 PolarHBondContact O-N 2.79Å; Y428-K432 PolarHBondContact OH-NZ 3.28Å; Y428-I478 HydrophobicContact CD2-CG2 4.01Å; Y428-I478 HydrophobicContact CE2-CB 4.43Å; Y428-I478 HydrophobicContact CE2-CG2 4.28Å; Y428-K479 HydrophobicContact CD2-CB 4.34Å; Y428-K479 HydrophobicContact CD2-CG 4.48Å; Y428-K479 HydrophobicContact CE1-CG 4.16Å; Y428-K479 HydrophobicContact CE2-CB 3.56Å; Y428-K479 HydrophobicContact CE2-CG 3.94Å; Y428-K479 WeakPolarHBondContact OH-CE 3.5Å; Y428-V482 HydrophobicContact CD2-CG2 4.25Å
429	S	94.1	Very high	91.1	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.021	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-37.7	-177.8	-49.1	0	0	0	0	113.6	Y8 R425 Q426 C427 T433	Y8-S429 PolarHBondContact OH-OG 3.07Å; R425-S429 WeakPolarHBondContact O-CB 3.41Å; R425-S429 PolarHBondContact O-N 3.18Å; R425-S429 PolarHBondContact O-OG 3.46Å; Q426-S429 PolarHBondContact O-N 3.23Å; Q426-S429 VanDerWaalsContact O-N 3.15Å; C427-S429 VanDerWaalsContact C-N 3.34Å; C427-S429 PolarHBondContact O-N 3.27Å; S429-T433 WeakPolarHBondContact O-CB 3.33Å; S429-T433 PolarHBondContact O-N 3.25Å; S429-T433 PolarHBondContact O-OG1 2.91Å
430	I	95.6	Very high	90.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-67.1	-52.6	175.6	-67.9	169.9	0	0	0	109.6	L102 F105 Y106 V110 Q426 C427 Y428 K432 T433 L434 L500 I504	L102-I430 HydrophobicContact CB-CD1 4.49Å; L102-I430 HydrophobicContact CD2-CD1 4.25Å; L102-I430 HydrophobicContact CD2-CG2 4.19Å; F105-I430 HydrophobicContact CD1-CG1 4.34Å; F105-I430 HydrophobicContact CD1-CG2 3.91Å; F105-I430 HydrophobicContact CE1-CB 4.47Å; F105-I430 HydrophobicContact CE1-CG2 3.88Å; Y106-I430 HydrophobicContact CD2-CD1 4.32Å; Y106-I430 HydrophobicContact CD2-CG1 3.94Å; V110-I430 HydrophobicContact CG2-CG1 4.21Å; Q426-I430 HydrophobicContact CG-CD1 4.08Å; Q426-I430 WeakPolarHBondContact O-CG1 3.44Å; Q426-I430 PolarHBondContact O-N 2.79Å; C427-I430 PolarHBondContact O-N 3.09Å; Y428-I430 VanDerWaalsContact C-N 3.34Å; Y428-I430 PolarHBondContact O-N 3.29Å; I430-K432 VanDerWaalsContact C-N 3.3Å; I430-K432 PolarHBondContact O-N 3.34Å; I430-T433 PolarHBondContact O-N 3.13Å; I430-L434 HydrophobicContact CG2-CD1 3.9Å; I430-L434 HydrophobicContact CG2-CG 4.36Å; I430-L434 WeakPolarHBondContact O-CG 3.2Å; I430-L434 PolarHBondContact O-N 3.47Å; I430-L500 HydrophobicContact CD1-CD2 4.16Å; I430-I504 HydrophobicContact CB-CD1 4.25Å; I430-I504 HydrophobicContact CD1-CD1 4.16Å; I430-I504 HydrophobicContact CG2-CD1 3.8Å
431	L	95.7	Very high	90	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.016	13%	0.125	C	C	.	.	H	α-helix	trans	-57.5	-41	179.9	-73.1	163.5	0	0	0	112.4	C427 Y428 L434 A435 I478 V482 I504 I507 L508	C427-L431 WeakPolarHBondContact O-CG 3.37Å; C427-L431 PolarHBondContact O-N 2.87Å; Y428-L431 PolarHBondContact O-N 2.88Å; L431-L434 PolarHBondContact O-N 2.85Å; L431-A435 WeakPolarHBondContact O-CB 3.47Å; L431-A435 PolarHBondContact O-N 3.03Å; L431-I478 HydrophobicContact CB-CG2 3.48Å; L431-I478 VanDerWaalsContact CB-CG2 3.48Å; L431-I478 HydrophobicContact CD1-CG2 4.28Å; L431-I478 HydrophobicContact CG-CG2 4.49Å; L431-V482 HydrophobicContact CD1-CG2 3.87Å; L431-I504 HydrophobicContact CD2-CG2 3.98Å; L431-I504 HydrophobicContact CG-CG1 4.36Å; L431-I507 HydrophobicContact CD1-CB 4.01Å; L431-I507 HydrophobicContact CD1-CD1 3.64Å; L431-I507 HydrophobicContact CD1-CG1 4.42Å; L431-I507 HydrophobicContact CD1-CG2 3.62Å; L431-I507 HydrophobicContact CD2-CG2 4.21Å; L431-L508 HydrophobicContact CD2-CD2 4.14Å; L431-L508 HydrophobicContact CD2-CG 4.04Å
432	K	92.6	Very high	88.9	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-44.8	173.5	-72.5	-156.9	-76.1	-172.3	0	113.2	Y428 I430 L434 A435 D436 E475 I478	Y428-K432 HydrophobicContact CD2-CD 4Å; Y428-K432 HydrophobicContact CD2-CG 3.79Å; Y428-K432 HydrophobicContact CE1-CD 4.09Å; Y428-K432 VanDerWaalsContact CE1-CE 3.49Å; Y428-K432 HydrophobicContact CE2-CD 3.4Å; Y428-K432 HydrophobicContact CE2-CG 3.56Å; Y428-K432 VanDerWaalsContact CZ-CD 3.45Å; Y428-K432 VanDerWaalsContact CZ-CE 3.4Å; Y428-K432 WeakPolarHBondContact O-CB 3.5Å; Y428-K432 VanDerWaalsContact O-CG 3.25Å; Y428-K432 WeakPolarHBondContact O-CG 3.41Å; Y428-K432 PolarHBondContact O-N 2.79Å; Y428-K432 PolarHBondContact OH-NZ 3.28Å; I430-K432 VanDerWaalsContact C-N 3.3Å; I430-K432 PolarHBondContact O-N 3.34Å; K432-L434 VanDerWaalsContact C-N 3.33Å; K432-A435 PolarHBondContact O-N 2.97Å; K432-D436 PolarHBondContact O-N 3.06Å; K432-E475 HydrophobicContact CD-CB 3.4Å; K432-E475 VanDerWaalsContact CD-CB 3.4Å; K432-E475 HydrophobicContact CD-CG 3.74Å; K432-E475 WeakPolarHBondContact CD-OE2 3.46Å; K432-E475 WeakPolarHBondContact CE-OE2 3.46Å; K432-E475 HydrophobicContact CG-CB 3.92Å; K432-E475 HydrophobicContact CG-CG 4.39Å; K432-E475 IonicContact NZ-OE1 3.54Å; K432-E475 IonicContact NZ-OE2 3Å; K432-E475 PolarHBondContact NZ-OE2 2.8Å; K432-I478 HydrophobicContact CG-CG2 4.3Å
433	T	93.4	Very high	87	Confident	3 Å²	3	30 Å²	30	2%	0.018	15%	0.145	C	C	.	.	H	α-helix	trans	-69.5	-34.1	-179.3	-56.7	0	0	0	0	111.2	F105 R109 V110 R113 S429 I430 R437	F105-T433 HydrophobicContact CE1-CG2 3.93Å; F105-T433 HydrophobicContact CZ-CG2 3.74Å; R109-T433 HydrophobicContact CB-CG2 4.03Å; V110-T433 HydrophobicContact CG2-CG2 4.21Å; R113-T433 HydrophobicContact CB-CG2 4.5Å; R113-T433 WeakPolarHBondContact CD-OG1 3.3Å; S429-T433 WeakPolarHBondContact O-CB 3.33Å; S429-T433 PolarHBondContact O-N 3.25Å; S429-T433 PolarHBondContact O-OG1 2.91Å; I430-T433 PolarHBondContact O-N 3.13Å; T433-R437 WeakPolarHBondContact O-CB 3.4Å; T433-R437 VanDerWaalsContact O-CD 3.23Å; T433-R437 WeakPolarHBondContact O-CD 3.39Å; T433-R437 WeakPolarHBondContact O-CG 3.39Å; T433-R437 PolarHBondContact O-N 3.12Å
434	L	93.9	Very high	84.2	Confident	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-66.9	-44.1	170.2	-68.6	171.7	0	0	0	111.8	F105 I430 L431 K432 R437 H438 L549 L553 L560 L563	F105-L434 HydrophobicContact CE1-CD2 4.2Å; F105-L434 HydrophobicContact CE1-CG 4.11Å; F105-L434 HydrophobicContact CE2-CD2 3.73Å; F105-L434 HydrophobicContact CE2-CG 4.49Å; F105-L434 HydrophobicContact CZ-CD2 3.46Å; F105-L434 VanDerWaalsContact CZ-CD2 3.46Å; F105-L434 HydrophobicContact CZ-CG 3.76Å; I430-L434 HydrophobicContact CG2-CD1 3.9Å; I430-L434 HydrophobicContact CG2-CG 4.36Å; I430-L434 WeakPolarHBondContact O-CG 3.2Å; I430-L434 PolarHBondContact O-N 3.47Å; L431-L434 PolarHBondContact O-N 2.85Å; K432-L434 VanDerWaalsContact C-N 3.33Å; L434-R437 PolarHBondContact O-N 2.79Å; L434-H438 WeakPolarHBondContact O-CB 3.33Å; L434-H438 PolarHBondContact O-CD2 3.31Å; L434-H438 PolarHBondContact O-N 2.98Å; L434-L549 HydrophobicContact CB-CD2 4.18Å; L434-L549 HydrophobicContact CD2-CD1 4.36Å; L434-L553 HydrophobicContact CD1-CD1 4.34Å; L434-L560 HydrophobicContact CD2-CD2 4.48Å; L434-L563 HydrophobicContact CD2-CB 4.46Å
435	A	92.1	Very high	81.2	Confident	7 Å²	7	40.4 Å²	40.4	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-61.2	-49.5	179.6	0	0	0	0	0	112.4	L431 K432 R437 H438 L439 I478	L431-A435 WeakPolarHBondContact O-CB 3.47Å; L431-A435 PolarHBondContact O-N 3.03Å; K432-A435 PolarHBondContact O-N 2.97Å; A435-R437 PolarHBondContact O-N 3.29Å; A435-R437 VanDerWaalsContact O-N 3.14Å; A435-H438 PolarHBondContact O-N 3.46Å; A435-L439 HydrophobicContact CB-CB 4.4Å; A435-L439 HydrophobicContact CB-CD1 4.11Å; A435-L439 HydrophobicContact CB-CG 4.49Å; A435-L439 WeakPolarHBondContact O-CA 3.47Å; A435-L439 WeakPolarHBondContact O-CB 3.14Å; A435-L439 PolarHBondContact O-N 2.67Å; A435-I478 HydrophobicContact CB-CD1 4.3Å; A435-I478 HydrophobicContact CB-CG1 4.23Å
436	D	87.6	Confident	78.2	Confident	44 Å²	44	45.2 Å²	45.2	24%	0.235	25%	0.247	C	C	.	.	H	α-helix	trans	-55.8	-29.6	175.4	-96.4	16.4	0	0	0	113.6	R113 K432 T440	R113-D436 IonicContact CZ-OD2 3.95Å; R113-D436 IonicContact NE-OD2 3.49Å; R113-D436 PolarHBondContact NE-OD2 3.24Å; R113-D436 IonicContact NH2-OD1 3.97Å; R113-D436 IonicContact NH2-OD2 2.72Å; R113-D436 PolarHBondContact NH2-OD2 2.84Å; K432-D436 PolarHBondContact O-N 3.06Å; D436-T440 VanDerWaalsContact O-CG2 3.3Å; D436-T440 WeakPolarHBondContact O-CG2 3.24Å
437	R	89.5	Confident	75.1	Confident	116 Å²	116	51.1 Å²	51.1	44%	0.438	28%	0.28	S	S	.	.	H	α-helix	trans	-95.4	-30.6	-173	-69.2	174.7	57.2	60.4	22.5	113.2	R109 T433 L434 A435 L563	R109-R437 VanDerWaalsContact NH1-CZ 3.34Å; T433-R437 WeakPolarHBondContact O-CB 3.4Å; T433-R437 VanDerWaalsContact O-CD 3.23Å; T433-R437 WeakPolarHBondContact O-CD 3.39Å; T433-R437 WeakPolarHBondContact O-CG 3.39Å; T433-R437 PolarHBondContact O-N 3.12Å; L434-R437 PolarHBondContact O-N 2.79Å; A435-R437 PolarHBondContact O-N 3.29Å; A435-R437 VanDerWaalsContact O-N 3.14Å; R437-L563 PolarHBondContact NE-OXT 2.85Å; R437-L563 VanDerWaalsContact NH2-C 3.33Å; R437-L563 PolarHBondContact NH2-OXT 2.79Å
438	H	90.9	Very high	72.1	Confident	56 Å²	56	60.3 Å²	60.3	26%	0.259	32%	0.32	S	S	.	.	H	α-helix	trans	-127.4	-20.6	-169.3	-61.6	-67.8	0	0	0	115.7	L434 A435 Q545 L549 L563	L434-H438 WeakPolarHBondContact O-CB 3.33Å; L434-H438 PolarHBondContact O-CD2 3.31Å; L434-H438 PolarHBondContact O-N 2.98Å; A435-H438 PolarHBondContact O-N 3.46Å; H438-Q545 PolarHBondContact O-OE1 3.19Å; H438-L549 HydrophobicContact CB-CD2 4.36Å; H438-L563 VanDerWaalsContact CE1-CD2 3.43Å; H438-L563 WeakPolarHBondContact CE1-CD2 3.36Å; H438-L563 PolarHBondContact CE1-OXT 3.45Å; H438-L563 WeakPolarHBondContact NE2-CD2 3.31Å; H438-L563 PolarHBondContact NE2-OXT 3.31Å
439	L	89.2	Confident	69	Low	2 Å²	2	69.2 Å²	69.2	1%	0.01	36%	0.359	C	S	.	.			trans	-109.2	21.7	-170.9	-53.8	-174.9	0	0	0	113.2	A435 G441 S471 L511 T542 Q545 A546 L549	A435-L439 HydrophobicContact CB-CB 4.4Å; A435-L439 HydrophobicContact CB-CD1 4.11Å; A435-L439 HydrophobicContact CB-CG 4.49Å; A435-L439 WeakPolarHBondContact O-CA 3.47Å; A435-L439 WeakPolarHBondContact O-CB 3.14Å; A435-L439 PolarHBondContact O-N 2.67Å; L439-G441 PolarHBondContact O-N 2.89Å; L439-S471 PolarHBondContact O-OG 3.31Å; L439-L511 HydrophobicContact CD1-CD2 3.8Å; L439-T542 HydrophobicContact CB-CG2 4.06Å; L439-Q545 HydrophobicContact CD2-CB 3.89Å; L439-A546 HydrophobicContact CD1-CB 4.48Å; L439-A546 HydrophobicContact CD2-CB 3.94Å; L439-L549 HydrophobicContact CD2-CD2 4.39Å
440	T	75.2	Confident	66	Low	34 Å²	34	77.1 Å²	77.1	21%	0.209	40%	0.401	C	S	.	.	S	Bend	trans	-71.8	-10.8	-177.9	60.6	0	0	0	0	114.1	D436 I442	D436-T440 VanDerWaalsContact O-CG2 3.3Å; D436-T440 WeakPolarHBondContact O-CG2 3.24Å; T440-I442 PolarHBondContact O-N 3.29Å
441	G	64.4	Low	63	Low	18 Å²	18	81.5 Å²	81.5	19%	0.186	43%	0.432	C	S	.	.	S	Bend	trans	75	0.9	-179.8	0	0	0	0	0	115.6	L439 Q545	L439-G441 PolarHBondContact O-N 2.89Å; G441-Q545 VanDerWaalsContact N-OE1 3.12Å
442	I	60.5	Low	60	Low	88 Å²	88	90.9 Å²	90.9	45%	0.451	47%	0.472	S	S	.	.			trans	-94.3	-21.8	-167	-68.4	162.4	0	0	0	114.3	T440 I469	T440-I442 PolarHBondContact O-N 3.29Å; I442-I469 HydrophobicContact CD1-CB 3.95Å; I442-I469 HydrophobicContact CD1-CG2 4.06Å; I442-I469 HydrophobicContact CG1-CB 3.98Å; I442-I469 HydrophobicContact CG1-CD1 4.42Å; I442-I469 HydrophobicContact CG1-CG2 3.6Å
443	H	45.7	Very low	57.4	Low	159 Å²	159	95.6 Å²	95.6	74%	0.736	51%	0.506	S	S	*	.	S	Bend	trans	-93.2	111.8	179.2	-77.6	-73.3	0	0	0	112.5	Q545	H443-Q545 PolarHBondContact O-NE2 3.29Å
444	G	35.7	Very low	54.5	Low	72 Å²	72	100.5 Å²	100.5	74%	0.742	54%	0.54	S	S	*	.	S	Bend	trans	-172	-75.1	176.8	0	0	0	0	0	115.1
445	E	30.9	Very low	51.6	Low	174 Å²	174	106.7 Å²	106.7	81%	0.813	58%	0.578	S	S	*	*			trans	-137.4	83.4	-158.2	-67.7	176.8	-167.1	0	0	113.8
446	T	30.6	Very low	49	Very low	144 Å²	144	111.1 Å²	111.1	88%	0.883	61%	0.609	S	S	*	*			trans	-109.4	28	161.9	51.1	0	0	0	0	112.1
447	N	27.9	Very low	46.4	Very low	148 Å²	148	114.6 Å²	114.6	79%	0.791	64%	0.637	S	S	*	*			trans	-115.4	38.7	-176.8	-89.8	-31.5	0	0	0	113.4
448	F	34	Very low	43.9	Very low	192 Å²	192	114.7 Å²	114.7	84%	0.842	66%	0.655	S	S	*	*			trans	-90.5	102.9	161.3	-100.5	-82.1	0	0	0	110.4	N450	F448-N450 PolarHBondContact O-N 3.23Å
449	K	29.4	Very low	41	Very low	188 Å²	188	117.8 Å²	117.8	82%	0.817	68%	0.683	S	S	*	*			trans	-68	114.4	176	-64.3	169.8	179.9	171.7	0	109.9
450	N	32	Very low	38.6	Very low	169 Å²	169	122.5 Å²	122.5	90%	0.904	72%	0.716	S	S	*	*			trans	-122.5	89.1	157	-96.7	-16.9	0	0	0	110.9	F448	F448-N450 PolarHBondContact O-N 3.23Å
451	S	31.9	Very low	36.6	Very low	92 Å²	92	127.2 Å²	127.2	64%	0.643	75%	0.75	S	S	*	*			trans	-12.7	132.3	152.2	-51.7	0	0	0	0	117.9
452	K	33.1	Very low	35.2	Very low	199 Å²	199	130.7 Å²	130.7	87%	0.865	77%	0.772	S	S	*	*			trans	60.5	135.1	144.6	-57.2	171.4	-175.2	178.3	0	116.3
453	S	37.7	Very low	34.1	Very low	102 Å²	102	132.1 Å²	132.1	71%	0.713	79%	0.79	S	S	*	*			cis	-178.5	155.3	8.6	43	0	0	0	0	110.3
454	S	32.5	Very low	33.6	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	79%	0.79	S	S	*	*			trans	70.2	106.9	146.3	-56.3	0	0	0	0	122.2
455	T	33.5	Very low	33.9	Very low	131 Å²	131	131.9 Å²	131.9	80%	0.804	79%	0.787	S	S	*	*				90.5	145.9	126.7	-43.9	0	0	0	0	121.5
456	S	37.9	Very low	34.1	Very low	101 Å²	101	127.3 Å²	127.3	71%	0.706	77%	0.766	S	S	*	*			trans	80.9	93.8	162.3	51.6	0	0	0	0	120.6
457	S	31.9	Very low	34.5	Very low	117 Å²	117	127.4 Å²	127.4	82%	0.818	76%	0.762	S	S	*	*			trans	-8.1	127.2	137.1	53.4	0	0	0	0	119.3
458	S	37.1	Very low	35.2	Very low	117 Å²	117	122.3 Å²	122.3	82%	0.818	73%	0.734	S	S	*	*			trans	-159	142.6	132.9	50.5	0	0	0	0	111.5
459	S	31.1	Very low	35.9	Very low	121 Å²	121	117.8 Å²	117.8	85%	0.846	72%	0.717	S	S	*	*			trans	-72.8	131.6	-178.7	49.3	0	0	0	0	113
460	S	38.6	Very low	37.1	Very low	101 Å²	101	112.1 Å²	112.1	71%	0.706	69%	0.694	S	S	*	*			trans	-153.8	135.1	150.4	52.3	0	0	0	0	110.6	S462	S460-S462 PolarHBondContact O-N 2.84Å
461	S	31.4	Very low	38.7	Very low	133 Å²	133	106 Å²	106	93%	0.93	66%	0.664	S	S	*	*			trans	-74.9	87.6	175.8	51.7	0	0	0	0	109.9
462	S	36.2	Very low	40.8	Very low	92 Å²	92	102 Å²	102	64%	0.643	64%	0.635	S	S	*	*			trans	-100.1	117.9	171.3	47.2	0	0	0	0	109.7	S460 T464	S460-S462 PolarHBondContact O-N 2.84Å; S462-T464 PolarHBondContact O-N 2.76Å
463	S	36.3	Very low	43.4	Very low	118 Å²	118	92.9 Å²	92.9	83%	0.825	60%	0.596	S	S	*	*			trans	-63.4	104.2	167.2	40.7	0	0	0	0	108.3	P465	S463-P465 WeakPolarHBondContact O-CD 3.47Å; S463-P465 VanDerWaalsContact O-N 3.13Å
464	T	36.5	Very low	45.6	Very low	121 Å²	121	89.6 Å²	89.6	74%	0.742	57%	0.57	S	S	*	*			trans	-54	121	179.2	-51.6	0	0	0	0	108.9	S462 M466	S462-T464 PolarHBondContact O-N 2.76Å; T464-M466 PolarHBondContact O-N 3.33Å; T464-M466 VanDerWaalsContact O-N 3.12Å
465	P	41.6	Very low	48.3	Very low	104 Å²	104	85 Å²	85	68%	0.675	54%	0.536	S	S	*	.			trans	-60.9	123.8	175.1	25.2	-32.4	0	0	0	107.6	S463 N467	S463-P465 WeakPolarHBondContact O-CD 3.47Å; S463-P465 VanDerWaalsContact O-N 3.13Å; P465-N467 PolarHBondContact O-N 3.37Å
466	M	35.8	Very low	51.1	Low	78 Å²	78	78.8 Å²	78.8	38%	0.384	50%	0.498	S	S	.	.			trans	-58.5	103.9	175.4	-92.8	-122.9	-77	0	0	109.2	D328 T464 M468	D328-M466 HydrophobicContact CB-CE 4.5Å; D328-M466 WeakPolarHBondContact O-CE 3.43Å; T464-M466 PolarHBondContact O-N 3.33Å; T464-M466 VanDerWaalsContact O-N 3.12Å; M466-M468 HydrophobicContact CB-CG 4.15Å; M466-M468 HydrophobicContact CE-CE 4.32Å; M466-M468 HydrophobicContact CE-CG 3.74Å; M466-M468 HydrophobicContact CE-SD 4.02Å; M466-M468 PolarHBondContact O-N 2.61Å; M466-M468 HydrophobicContact SD-CG 4Å; M466-M468 HydrophobicContact SD-SD 4.35Å
467	N	37.5	Very low	53.7	Low	147 Å²	147	74 Å²	74	79%	0.786	47%	0.465	S	S	*	.			trans	-68.1	71.5	159.3	-84.1	-15.4	0	0	0	108	P465 I469	P465-N467 PolarHBondContact O-N 3.37Å; N467-I469 PolarHBondContact O-N 3.36Å
468	M	43.7	Very low	56.7	Low	41 Å²	41	68.5 Å²	68.5	20%	0.202	43%	0.426	C	S	.	.			trans	-67.1	87.6	163.7	-81.2	-83	-98.1	0	0	106.5	H237 I331 M466 H470	H237-M468 VanDerWaalsContact CE1-CE 3.47Å; H237-M468 WeakPolarHBondContact CE1-CE 3.41Å; I331-M468 HydrophobicContact CD1-CE 3.4Å; I331-M468 VanDerWaalsContact CD1-CE 3.4Å; I331-M468 HydrophobicContact CG1-CE 3.61Å; M466-M468 HydrophobicContact CB-CG 4.15Å; M466-M468 HydrophobicContact CE-CE 4.32Å; M466-M468 HydrophobicContact CE-CG 3.74Å; M466-M468 HydrophobicContact CE-SD 4.02Å; M466-M468 PolarHBondContact O-N 2.61Å; M466-M468 HydrophobicContact SD-CG 4Å; M466-M468 HydrophobicContact SD-SD 4.35Å; M468-H470 VanDerWaalsContact C-N 3.26Å; M468-H470 PolarHBondContact O-CD2 3.28Å; M468-H470 PolarHBondContact O-N 2.88Å
469	I	47.3	Very low	59.5	Low	97 Å²	97	62.9 Å²	62.9	50%	0.497	39%	0.387	S	S	.	.			trans	-70.2	92.5	175	-53.4	170.6	0	0	0	106.2	I442 N467 S471	I442-I469 HydrophobicContact CD1-CB 3.95Å; I442-I469 HydrophobicContact CD1-CG2 4.06Å; I442-I469 HydrophobicContact CG1-CB 3.98Å; I442-I469 HydrophobicContact CG1-CD1 4.42Å; I442-I469 HydrophobicContact CG1-CG2 3.6Å; N467-I469 PolarHBondContact O-N 3.36Å; I469-S471 PolarHBondContact O-N 3.2Å
470	H	55.8	Low	62.6	Low	69 Å²	69	57.2 Å²	57.2	32%	0.319	35%	0.347	S	S	.	.			trans	-63.4	131.1	178.4	-63.4	-83.9	0	0	0	109.6	H237 M468 V472	H237-H470 AromaticContact CE1-CE1 3.99Å; H237-H470 AromaticContact CE1-ND1 3.77Å; H237-H470 AromaticContact NE2-CE1 3.12Å; H237-H470 PolarHBondContact NE2-CE1 3.28Å; H237-H470 AromaticContact NE2-ND1 3.14Å; H237-H470 PolarHBondContact NE2-ND1 3.35Å; H237-H470 VanDerWaalsContact NE2-ND1 3.14Å; M468-H470 VanDerWaalsContact C-N 3.26Å; M468-H470 PolarHBondContact O-CD2 3.28Å; M468-H470 PolarHBondContact O-N 2.88Å; H470-V472 PolarHBondContact O-N 3.04Å
471	S	65.9	Low	65.4	Low	41 Å²	41	52.5 Å²	52.5	29%	0.287	31%	0.314	S	S	.	.			trans	-47.9	136.5	167	-178.2	0	0	0	0	109.4	L439 I469 I473	L439-S471 PolarHBondContact O-OG 3.31Å; I469-S471 PolarHBondContact O-N 3.2Å; S471-I473 VanDerWaalsContact C-N 3.26Å; S471-I473 WeakPolarHBondContact CB-O 3.45Å; S471-I473 PolarHBondContact OG-N 2.92Å; S471-I473 PolarHBondContact OG-O 3.37Å
472	V	76.3	Confident	68.5	Low	6 Å²	6	46.1 Å²	46.1	4%	0.036	27%	0.27	C	S	.	.	S	Bend	trans	-68.6	-33.8	176.3	179.6	0	0	0	0	110	H470 Y534 M539 T542	H470-V472 PolarHBondContact O-N 3.04Å; V472-Y534 HydrophobicContact CG1-CD2 4.17Å; V472-Y534 VanDerWaalsContact O-CD2 3.31Å; V472-Y534 WeakPolarHBondContact O-CD2 3.3Å; V472-Y534 WeakPolarHBondContact O-CE2 3.32Å; V472-M539 HydrophobicContact CG1-CG 4.2Å; V472-T542 WeakPolarHBondContact CB-OG1 3.29Å
473	I	86	Confident	71.4	Confident	8 Å²	8	41.8 Å²	41.8	4%	0.041	24%	0.239	C	C	.	.	S	Bend	trans	-103.5	132	177.2	-70.2	-63.2	0	0	0	110.4	S471 D477 I478 L511 L515 F531 T542	S471-I473 VanDerWaalsContact C-N 3.26Å; S471-I473 WeakPolarHBondContact CB-O 3.45Å; S471-I473 PolarHBondContact OG-N 2.92Å; S471-I473 PolarHBondContact OG-O 3.37Å; I473-D477 WeakPolarHBondContact CA-OD2 3.49Å; I473-D477 HydrophobicContact CD1-CB 4.19Å; I473-D477 HydrophobicContact CG2-CB 4.3Å; I473-I478 HydrophobicContact CG2-CD1 3.84Å; I473-I478 HydrophobicContact CG2-CG1 4.09Å; I473-L511 HydrophobicContact CD1-CD1 3.71Å; I473-L511 HydrophobicContact CG1-CD1 4.24Å; I473-L515 HydrophobicContact CD1-CD2 4.07Å; I473-F531 HydrophobicContact CD1-CE1 3.61Å; I473-F531 HydrophobicContact CD1-CZ 3.64Å; I473-T542 HydrophobicContact CB-CG2 4.48Å; I473-T542 HydrophobicContact CG1-CG2 3.68Å
474	Q	85.4	Confident	74.2	Confident	34 Å²	34	38.1 Å²	38.1	16%	0.159	21%	0.209	C	C	.	.			trans	-102.3	157.5	176.2	-67.3	-175.2	9	0	0	109.6	M13 Y476 D477	M13-Q474 PolarHBondContact O-NE2 3.4Å; Q474-Y476 PolarHBondContact O-N 3.29Å; Q474-Y476 VanDerWaalsContact O-N 3.12Å; Q474-D477 PolarHBondContact N-OD2 2.85Å; Q474-D477 PolarHBondContact O-N 2.99Å; Q474-D477 VanDerWaalsContact O-N 3.09Å
475	E	88.5	Confident	77.1	Confident	8 Å²	8	32.3 Å²	32.3	4%	0.037	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-18.4	177.3	-19.6	170	150.1	0	0	112.8	H10 R113 K432 D477 I478 K479	H10-E475 WeakPolarHBondContact CD2-CB 3.43Å; H10-E475 VanDerWaalsContact CD2-CG 3.45Å; H10-E475 WeakPolarHBondContact CD2-CG 3.35Å; H10-E475 IonicContact CD2-OE2 2.99Å; H10-E475 WeakPolarHBondContact NE2-CA 3.41Å; H10-E475 WeakPolarHBondContact NE2-CB 3.49Å; H10-E475 VanDerWaalsContact NE2-CG 3.29Å; H10-E475 WeakPolarHBondContact NE2-CG 3.44Å; H10-E475 PolarHBondContact NE2-N 2.89Å; R113-E475 IonicContact CZ-OE1 3.7Å; R113-E475 IonicContact NH1-OE1 2.85Å; R113-E475 PolarHBondContact NH1-OE1 3.07Å; R113-E475 IonicContact NH2-OE1 2.76Å; R113-E475 PolarHBondContact NH2-OE1 3.12Å; K432-E475 HydrophobicContact CD-CB 3.4Å; K432-E475 VanDerWaalsContact CD-CB 3.4Å; K432-E475 HydrophobicContact CD-CG 3.74Å; K432-E475 WeakPolarHBondContact CD-OE2 3.46Å; K432-E475 WeakPolarHBondContact CE-OE2 3.46Å; K432-E475 HydrophobicContact CG-CB 3.92Å; K432-E475 HydrophobicContact CG-CG 4.39Å; K432-E475 IonicContact NZ-OE1 3.54Å; K432-E475 IonicContact NZ-OE2 3Å; K432-E475 PolarHBondContact NZ-OE2 2.8Å; E475-D477 VanDerWaalsContact C-N 3.32Å; E475-D477 PolarHBondContact O-N 3.29Å; E475-I478 PolarHBondContact O-N 3.09Å; E475-K479 PolarHBondContact O-N 3.2Å
476	Y	91.5	Very high	79.6	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.9	-38.9	172.1	-165.8	-118.9	0	0	0	113.2	H10 R11 L12 E414 Q474 I478 K479 T480 H522 I530	H10-Y476 HydrophobicContact CB-CD2 3.78Å; H10-Y476 HydrophobicContact CB-CG 4.24Å; H10-Y476 PolarHBondContact CD2-N 2.96Å; H10-Y476 VanDerWaalsContact CG-N 3.28Å; H10-Y476 WeakPolarHBondContact ND1-CB 3.45Å; H10-Y476 PolarHBondContact ND1-N 3.33Å; R11-Y476 HydrophobicContact CB-CD2 4.31Å; R11-Y476 HydrophobicContact CB-CE2 4.27Å; R11-Y476 WeakPolarHBondContact CD-OH 3.24Å; R11-Y476 HydrophobicContact CG-CD1 4.05Å; R11-Y476 HydrophobicContact CG-CD2 4.25Å; R11-Y476 HydrophobicContact CG-CE1 3.79Å; R11-Y476 HydrophobicContact CG-CE2 3.98Å; R11-Y476 HydrophobicContact CG-CG 4.28Å; R11-Y476 PolarHBondContact NE-OH 3.38Å; L12-Y476 HydrophobicContact CG-CD1 4.28Å; L12-Y476 HydrophobicContact CG-CE1 4.44Å; E414-Y476 WeakPolarHBondContact OE1-CE2 3.39Å; E414-Y476 PolarHBondContact OE1-OH 2.97Å; E414-Y476 WeakPolarHBondContact OE2-CE2 3.26Å; Q474-Y476 PolarHBondContact O-N 3.29Å; Q474-Y476 VanDerWaalsContact O-N 3.12Å; Y476-I478 VanDerWaalsContact C-N 3.32Å; Y476-K479 PolarHBondContact O-N 3.31Å; Y476-T480 WeakPolarHBondContact O-CB 3.28Å; Y476-T480 PolarHBondContact O-N 2.71Å; Y476-T480 PolarHBondContact O-OG1 2.96Å; Y476-H522 AromaticContact CE1-CD2 3.96Å; Y476-H522 AromaticContact CZ-CD2 3.89Å; Y476-H522 PolarHBondContact OH-CD2 3.32Å; Y476-H522 PolarHBondContact OH-NE2 2.69Å; Y476-I530 HydrophobicContact CD1-CG2 4.38Å; Y476-I530 HydrophobicContact CE1-CG2 3.98Å
477	D	93.1	Very high	82.2	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.7	-44.8	179.9	-48.4	-37.2	0	0	0	108.8	I473 Q474 E475 K479 T480 L481 I530 F531 Y534	I473-D477 WeakPolarHBondContact CA-OD2 3.49Å; I473-D477 HydrophobicContact CD1-CB 4.19Å; I473-D477 HydrophobicContact CG2-CB 4.3Å; Q474-D477 PolarHBondContact N-OD2 2.85Å; Q474-D477 PolarHBondContact O-N 2.99Å; Q474-D477 VanDerWaalsContact O-N 3.09Å; E475-D477 VanDerWaalsContact C-N 3.32Å; E475-D477 PolarHBondContact O-N 3.29Å; D477-K479 PolarHBondContact O-N 3.04Å; D477-T480 PolarHBondContact O-N 3.16Å; D477-L481 VanDerWaalsContact O-CG 3.26Å; D477-L481 WeakPolarHBondContact O-CG 3.32Å; D477-L481 PolarHBondContact O-N 3.33Å; D477-I530 HydrophobicContact CB-CD1 4.06Å; D477-I530 VanDerWaalsContact OD1-CD1 3.32Å; D477-I530 WeakPolarHBondContact OD1-CD1 3.41Å; D477-F531 HydrophobicContact CB-CE1 4.02Å; D477-Y534 PolarHBondContact OD1-OH 3.06Å; D477-Y534 PolarHBondContact OD2-OH 3.23Å
478	I	95.1	Very high	84.9	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-59.9	-43.5	173.6	-53.5	-57	0	0	0	111.3	Y428 L431 K432 A435 I473 E475 Y476 L481 V482 L511	Y428-I478 HydrophobicContact CD2-CG2 4.01Å; Y428-I478 HydrophobicContact CE2-CB 4.43Å; Y428-I478 HydrophobicContact CE2-CG2 4.28Å; L431-I478 HydrophobicContact CB-CG2 3.48Å; L431-I478 VanDerWaalsContact CB-CG2 3.48Å; L431-I478 HydrophobicContact CD1-CG2 4.28Å; L431-I478 HydrophobicContact CG-CG2 4.49Å; K432-I478 HydrophobicContact CG-CG2 4.3Å; A435-I478 HydrophobicContact CB-CD1 4.3Å; A435-I478 HydrophobicContact CB-CG1 4.23Å; I473-I478 HydrophobicContact CG2-CD1 3.84Å; I473-I478 HydrophobicContact CG2-CG1 4.09Å; E475-I478 PolarHBondContact O-N 3.09Å; Y476-I478 VanDerWaalsContact C-N 3.32Å; I478-L481 PolarHBondContact O-N 3.44Å; I478-V482 VanDerWaalsContact O-CG2 3.3Å; I478-V482 WeakPolarHBondContact O-CG2 3.49Å; I478-V482 PolarHBondContact O-N 3.22Å; I478-L511 HydrophobicContact CD1-CD2 4.18Å
479	K	95.6	Very high	87.2	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.7	-45.6	177.8	-158.6	-160.9	-62.9	-172.9	0	111.6	E414 E415 L418 Y428 E475 Y476 D477 L481 V482 L483	E414-K479 HydrophobicContact CB-CD 4.01Å; E414-K479 WeakPolarHBondContact OE2-CD 3.42Å; E414-K479 IonicContact OE2-NZ 3.13Å; E414-K479 PolarHBondContact OE2-NZ 2.69Å; E415-K479 WeakPolarHBondContact OE1-CE 3.28Å; E415-K479 IonicContact OE1-NZ 3.91Å; E415-K479 PolarHBondContact OE1-NZ 3.22Å; L418-K479 HydrophobicContact CD1-CD 4.35Å; L418-K479 HydrophobicContact CD1-CG 4.04Å; Y428-K479 HydrophobicContact CD2-CB 4.34Å; Y428-K479 HydrophobicContact CD2-CG 4.48Å; Y428-K479 HydrophobicContact CE1-CG 4.16Å; Y428-K479 HydrophobicContact CE2-CB 3.56Å; Y428-K479 HydrophobicContact CE2-CG 3.94Å; Y428-K479 WeakPolarHBondContact OH-CE 3.5Å; E475-K479 PolarHBondContact O-N 3.2Å; Y476-K479 PolarHBondContact O-N 3.31Å; D477-K479 PolarHBondContact O-N 3.04Å; K479-L481 VanDerWaalsContact C-N 3.28Å; K479-L481 PolarHBondContact O-N 3.29Å; K479-V482 PolarHBondContact O-N 2.97Å; K479-V482 VanDerWaalsContact O-N 3.16Å; K479-L483 WeakPolarHBondContact O-CG 3.45Å; K479-L483 PolarHBondContact O-N 3.37Å
480	T	96.5	Very high	89.2	Confident	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.101	C	C	.	.	H	α-helix	trans	-57.8	-43.3	178	-60.2	0	0	0	0	110.7	Y476 D477 L483 H484 P521 I530	Y476-T480 WeakPolarHBondContact O-CB 3.28Å; Y476-T480 PolarHBondContact O-N 2.71Å; Y476-T480 PolarHBondContact O-OG1 2.96Å; D477-T480 PolarHBondContact O-N 3.16Å; T480-L483 PolarHBondContact O-N 3.44Å; T480-H484 PolarHBondContact O-CD2 2.91Å; T480-H484 PolarHBondContact O-N 3.48Å; T480-P521 WeakPolarHBondContact CG2-O 3.33Å; T480-I530 HydrophobicContact CG2-CD1 3.98Å
481	L	97.5	Very high	90.8	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-67.1	-38.5	176	-67.4	176	0	0	0	113.3	D477 I478 K479 L483 H484 E485 I507 Q510 L511	D477-L481 VanDerWaalsContact O-CG 3.26Å; D477-L481 WeakPolarHBondContact O-CG 3.32Å; D477-L481 PolarHBondContact O-N 3.33Å; I478-L481 PolarHBondContact O-N 3.44Å; K479-L481 VanDerWaalsContact C-N 3.28Å; K479-L481 PolarHBondContact O-N 3.29Å; L481-L483 VanDerWaalsContact C-N 3.33Å; L481-L483 PolarHBondContact O-N 3.43Å; L481-H484 PolarHBondContact O-N 3.24Å; L481-E485 WeakPolarHBondContact O-CB 3.48Å; L481-E485 PolarHBondContact O-N 2.93Å; L481-I507 HydrophobicContact CB-CG2 3.92Å; L481-Q510 HydrophobicContact CD2-CB 4.42Å; L481-Q510 HydrophobicContact CD2-CG 3.61Å; L481-L511 HydrophobicContact CD1-CB 3.62Å; L481-L511 HydrophobicContact CD1-CD1 3.73Å; L481-L511 HydrophobicContact CD1-CG 4.21Å
482	V	97.2	Very high	91.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-61.8	-41	173.1	170.6	0	0	0	0	111.1	L418 Y428 L431 I478 K479 E485 C486 I507	L418-V482 HydrophobicContact CD2-CG1 4.19Å; Y428-V482 HydrophobicContact CD2-CG2 4.25Å; L431-V482 HydrophobicContact CD1-CG2 3.87Å; I478-V482 VanDerWaalsContact O-CG2 3.3Å; I478-V482 WeakPolarHBondContact O-CG2 3.49Å; I478-V482 PolarHBondContact O-N 3.22Å; K479-V482 PolarHBondContact O-N 2.97Å; K479-V482 VanDerWaalsContact O-N 3.16Å; V482-E485 WeakPolarHBondContact O-CB 3.4Å; V482-E485 PolarHBondContact O-N 2.81Å; V482-C486 PolarHBondContact O-N 3.46Å; V482-C486 PolarHBondContact O-SG 3.26Å; V482-I507 HydrophobicContact CB-CD1 4.49Å; V482-I507 HydrophobicContact CG2-CD1 3.87Å
483	L	96.4	Very high	92.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-47.8	177.5	-67.9	171.2	0	0	0	111.5	W370 E414 L417 L418 K479 T480 L481 E485 C486 E487 Y523	W370-L483 HydrophobicContact CH2-CB 4.49Å; W370-L483 WeakPolarHBondContact CH2-O 3.34Å; W370-L483 HydrophobicContact CZ2-CD2 4.46Å; E414-L483 HydrophobicContact CB-CD1 4.34Å; E414-L483 HydrophobicContact CG-CD1 4.14Å; L417-L483 HydrophobicContact CB-CD2 3.98Å; L417-L483 HydrophobicContact CD1-CD2 4.05Å; L418-L483 HydrophobicContact CD1-CD2 4.39Å; L418-L483 HydrophobicContact CD2-CD2 3.95Å; L418-L483 HydrophobicContact CG-CD2 4.03Å; K479-L483 WeakPolarHBondContact O-CG 3.45Å; K479-L483 PolarHBondContact O-N 3.37Å; T480-L483 PolarHBondContact O-N 3.44Å; L481-L483 VanDerWaalsContact C-N 3.33Å; L481-L483 PolarHBondContact O-N 3.43Å; L483-E485 PolarHBondContact O-N 3.09Å; L483-C486 WeakPolarHBondContact O-CB 3.29Å; L483-C486 PolarHBondContact O-N 3.43Å; L483-C486 VanDerWaalsContact O-N 3.09Å; L483-E487 PolarHBondContact O-N 3.01Å; L483-Y523 HydrophobicContact CB-CD1 4.15Å; L483-Y523 HydrophobicContact CB-CD2 3.65Å; L483-Y523 HydrophobicContact CB-CE1 4.4Å; L483-Y523 HydrophobicContact CB-CE2 3.96Å; L483-Y523 HydrophobicContact CB-CG 3.77Å; L483-Y523 HydrophobicContact CD1-CD1 3.76Å; L483-Y523 HydrophobicContact CD1-CE1 4.31Å; L483-Y523 HydrophobicContact CD1-CG 3.98Å; L483-Y523 HydrophobicContact CG-CD1 4.48Å; L483-Y523 HydrophobicContact CG-CG 4.49Å
484	H	95.7	Very high	92.8	Very high	41 Å²	41	30.6 Å²	30.6	19%	0.19	16%	0.155	C	C	.	.	H	α-helix	trans	-58.6	-35.2	172.5	-75	-60.3	0	0	0	112.7	T480 L481 C486 E487 K488 P521	T480-H484 PolarHBondContact O-CD2 2.91Å; T480-H484 PolarHBondContact O-N 3.48Å; L481-H484 PolarHBondContact O-N 3.24Å; H484-C486 VanDerWaalsContact C-N 3.34Å; H484-E487 WeakPolarHBondContact O-CB 3.33Å; H484-E487 PolarHBondContact O-N 3.04Å; H484-K488 WeakPolarHBondContact O-CG 3.49Å; H484-K488 PolarHBondContact O-N 3Å; H484-P521 PolarHBondContact NE2-O 3.02Å
485	E	96	Very high	93.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-68.6	-33.1	176.8	-167.6	65.1	-165.4	0	0	112.7	L481 V482 L483 E487 K488 H489 W495 R503 S506 I507	L481-E485 WeakPolarHBondContact O-CB 3.48Å; L481-E485 PolarHBondContact O-N 2.93Å; V482-E485 WeakPolarHBondContact O-CB 3.4Å; V482-E485 PolarHBondContact O-N 2.81Å; L483-E485 PolarHBondContact O-N 3.09Å; E485-E487 VanDerWaalsContact C-N 3.31Å; E485-K488 PolarHBondContact O-N 2.99Å; E485-K488 WeakPolarHBondContact OE2-CD 3.37Å; E485-K488 IonicContact OE2-NZ 2.81Å; E485-K488 PolarHBondContact OE2-NZ 2.7Å; E485-H489 WeakPolarHBondContact O-CB 3.32Å; E485-H489 PolarHBondContact O-N 3.33Å; E485-H489 VanDerWaalsContact O-N 3.09Å; E485-H489 PolarHBondContact O-ND1 3.04Å; E485-H489 IonicContact OE1-CE1 3.27Å; E485-H489 PolarHBondContact OE1-CE1 2.69Å; E485-H489 IonicContact OE1-ND1 3.94Å; E485-H489 PolarHBondContact OE1-ND1 2.62Å; E485-W495 HydrophobicContact CB-CH2 4.26Å; E485-W495 HydrophobicContact CB-CZ2 4.25Å; E485-W495 HydrophobicContact CG-CH2 3.96Å; E485-W495 HydrophobicContact CG-CZ2 3.94Å; E485-R503 IonicContact OE1-CZ 3.77Å; E485-R503 IonicContact OE1-NH1 2.7Å; E485-R503 PolarHBondContact OE1-NH1 2.81Å; E485-S506 WeakPolarHBondContact OE1-CB 3.46Å; E485-S506 PolarHBondContact OE1-OG 3.26Å; E485-I507 HydrophobicContact CB-CD1 3.9Å; E485-I507 HydrophobicContact CB-CG1 3.66Å; E485-I507 HydrophobicContact CG-CD1 3.87Å; E485-I507 HydrophobicContact CG-CG1 3.61Å
486	C	94.4	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-68.4	-30.4	173.2	-63.3	0	0	0	0	112.1	W370 R424 V482 L483 H484 H489 P490 W495	W370-C486 HydrophobicContact CD2-CB 4.09Å; W370-C486 HydrophobicContact CH2-CB 3.81Å; W370-C486 HydrophobicContact CZ2-CB 3.25Å; W370-C486 HydrophobicContact CZ3-CB 4.48Å; R424-C486 VanDerWaalsContact CD-SG 3.57Å; V482-C486 PolarHBondContact O-N 3.46Å; V482-C486 PolarHBondContact O-SG 3.26Å; L483-C486 WeakPolarHBondContact O-CB 3.29Å; L483-C486 PolarHBondContact O-N 3.43Å; L483-C486 VanDerWaalsContact O-N 3.09Å; H484-C486 VanDerWaalsContact C-N 3.34Å; C486-H489 CarbonylContact O-C 3.3Å; C486-H489 PolarHBondContact O-N 3.09Å; C486-P490 WeakPolarHBondContact O-CA 3.42Å; C486-W495 HydrophobicContact CB-CZ2 4.23Å; C486-W495 WeakPolarHBondContact SG-CZ2 3.41Å
487	E	92	Very high	93.4	Very high	52 Å²	52	34.3 Å²	34.3	24%	0.243	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-40.3	173.9	-156.9	166.1	155.1	0	0	112.1	W370 L483 H484 E485 H489	W370-E487 VanDerWaalsContact CE3-CA 3.42Å; W370-E487 HydrophobicContact CE3-CB 3.72Å; W370-E487 HydrophobicContact CE3-CG 3.88Å; W370-E487 HydrophobicContact CH2-CB 4.43Å; W370-E487 HydrophobicContact CZ3-CB 3.47Å; W370-E487 VanDerWaalsContact CZ3-CB 3.47Å; W370-E487 HydrophobicContact CZ3-CG 3.86Å; L483-E487 PolarHBondContact O-N 3.01Å; H484-E487 WeakPolarHBondContact O-CB 3.33Å; H484-E487 PolarHBondContact O-N 3.04Å; E485-E487 VanDerWaalsContact C-N 3.31Å; E487-H489 VanDerWaalsContact C-N 3.34Å
488	K	92.3	Very high	93.3	Very high	93 Å²	93	42.2 Å²	42.2	40%	0.404	21%	0.206	S	C	.	.	H	α-helix	trans	-68.5	-32.4	175.1	-61.2	175	-159.1	163	0	113.2	H484 E485 P490	H484-K488 WeakPolarHBondContact O-CG 3.49Å; H484-K488 PolarHBondContact O-N 3Å; E485-K488 PolarHBondContact O-N 2.99Å; E485-K488 WeakPolarHBondContact OE2-CD 3.37Å; E485-K488 IonicContact OE2-NZ 2.81Å; E485-K488 PolarHBondContact OE2-NZ 2.7Å; K488-P490 VanDerWaalsContact C-CD 3.45Å; K488-P490 WeakPolarHBondContact O-CD 3.46Å
489	H	92.5	Very high	93.2	Very high	42 Å²	42	43.6 Å²	43.6	19%	0.194	22%	0.215	C	C	.	.	S	Bend	trans	-121.8	72	-174.8	-64	95	0	0	0	109.6	E485 C486 E487 N491 D494 W495 R503	E485-H489 WeakPolarHBondContact O-CB 3.32Å; E485-H489 PolarHBondContact O-N 3.33Å; E485-H489 VanDerWaalsContact O-N 3.09Å; E485-H489 PolarHBondContact O-ND1 3.04Å; E485-H489 IonicContact OE1-CE1 3.27Å; E485-H489 PolarHBondContact OE1-CE1 2.69Å; E485-H489 IonicContact OE1-ND1 3.94Å; E485-H489 PolarHBondContact OE1-ND1 2.62Å; C486-H489 CarbonylContact O-C 3.3Å; C486-H489 PolarHBondContact O-N 3.09Å; E487-H489 VanDerWaalsContact C-N 3.34Å; H489-N491 VanDerWaalsContact C-N 3.3Å; H489-N491 PolarHBondContact O-N 2.86Å; H489-D494 HydrophobicContact CB-CB 3.74Å; H489-W495 VanDerWaalsContact O-CD1 3.28Å; H489-W495 PolarHBondContact O-NE1 3.2Å; H489-R503 VanDerWaalsContact CE1-CZ 3.48Å; H489-R503 PolarHBondContact CE1-NH1 2.89Å; H489-R503 PolarHBondContact NE2-NH1 3.07Å; H489-R503 PolarHBondContact NE2-NH2 2.86Å
490	P	90.4	Very high	93.1	Very high	28 Å²	28	43.6 Å²	43.6	18%	0.182	22%	0.215	C	C	.	.			trans	-71.3	-23.4	-169.1	28.5	-36.6	0	0	0	113.5	W370 C486 K488	W370-P490 HydrophobicContact CB-CB 3.48Å; W370-P490 VanDerWaalsContact CB-CB 3.48Å; C486-P490 WeakPolarHBondContact O-CA 3.42Å; K488-P490 VanDerWaalsContact C-CD 3.45Å; K488-P490 WeakPolarHBondContact O-CD 3.46Å
491	N	88.4	Confident	93	Very high	57 Å²	57	43.7 Å²	43.7	31%	0.305	22%	0.216	S	C	.	.	S	Bend	trans	-83.7	143.2	-172.1	-42.7	-78	0	0	0	111.1	H489 N493 D494	H489-N491 VanDerWaalsContact C-N 3.3Å; H489-N491 PolarHBondContact O-N 2.86Å; N491-N493 PolarHBondContact O-N 3.46Å; N491-D494 VanDerWaalsContact CB-OD2 3.3Å; N491-D494 WeakPolarHBondContact CB-OD2 3.44Å; N491-D494 PolarHBondContact N-OD2 2.82Å; N491-D494 PolarHBondContact ND2-OD2 3.41Å; N491-D494 WeakPolarHBondContact O-CB 3.23Å; N491-D494 PolarHBondContact O-N 3.42Å
492	D	88.4	Confident	92.9	Very high	102 Å²	102	47.1 Å²	47.1	55%	0.545	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-65.4	-23.5	175.2	-67.2	-35.8	0	0	0	113	R424 D494 W495	R424-D492 IonicContact CZ-OD1 2.65Å; R424-D492 VanDerWaalsContact CZ-OD1 3.26Å; R424-D492 IonicContact NH1-OD1 3.99Å; R424-D492 PolarHBondContact NH1-OD1 3.41Å; R424-D492 IonicContact NH2-OD1 3.37Å; R424-D492 PolarHBondContact NH2-OD1 2.95Å; D492-D494 PolarHBondContact O-N 2.93Å; D492-W495 CarbonylContact O-C 3.22Å; D492-W495 WeakPolarHBondContact O-CA 3.13Å; D492-W495 PolarHBondContact O-N 3.14Å
493	N	90.4	Very high	92.8	Very high	135 Å²	135	48.5 Å²	48.5	72%	0.722	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-64.1	-23.5	170.8	-68.7	-30.9	0	0	0	113.4	N491 W495 T496	N491-N493 PolarHBondContact O-N 3.46Å; N493-W495 VanDerWaalsContact C-N 3.26Å; N493-T496 WeakPolarHBondContact O-CG2 3.47Å
494	D	92.1	Very high	92.8	Very high	46 Å²	46	48.6 Å²	48.6	25%	0.246	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-81.2	-12	174.8	-53.6	-42.9	0	0	0	111.8	H489 N491 D492 T499	H489-D494 HydrophobicContact CB-CB 3.74Å; N491-D494 VanDerWaalsContact CB-OD2 3.3Å; N491-D494 WeakPolarHBondContact CB-OD2 3.44Å; N491-D494 PolarHBondContact N-OD2 2.82Å; N491-D494 PolarHBondContact ND2-OD2 3.41Å; N491-D494 WeakPolarHBondContact O-CB 3.23Å; N491-D494 PolarHBondContact O-N 3.42Å; D492-D494 PolarHBondContact O-N 2.93Å; D494-T499 WeakPolarHBondContact O-CB 3.21Å; D494-T499 PolarHBondContact O-OG1 3.49Å
495	W	93.3	Very high	92.8	Very high	11 Å²	11	47.7 Å²	47.7	4%	0.042	24%	0.236	C	C	.	.	S	Bend	trans	-120.1	54.2	-176.8	-68.5	92.1	0	0	0	111.9	I423 R424 C427 E485 C486 H489 D492 N493 R503 I507	I423-W495 VanDerWaalsContact CB-O 3.31Å; I423-W495 WeakPolarHBondContact CB-O 3.41Å; I423-W495 WeakPolarHBondContact CG1-O 3.3Å; I423-W495 WeakPolarHBondContact CG2-O 3.5Å; R424-W495 HydrophobicContact CB-CE3 4.27Å; R424-W495 HydrophobicContact CB-CZ3 4.49Å; R424-W495 HydrophobicContact CG-CB 4.3Å; R424-W495 HydrophobicContact CG-CD2 3.5Å; R424-W495 HydrophobicContact CG-CE3 3.49Å; R424-W495 VanDerWaalsContact CG-CE3 3.49Å; R424-W495 HydrophobicContact CG-CG 3.87Å; R424-W495 HydrophobicContact CG-CZ3 4.03Å; C427-W495 HydrophobicContact CB-CZ3 4.05Å; E485-W495 HydrophobicContact CB-CH2 4.26Å; E485-W495 HydrophobicContact CB-CZ2 4.25Å; E485-W495 HydrophobicContact CG-CH2 3.96Å; E485-W495 HydrophobicContact CG-CZ2 3.94Å; C486-W495 HydrophobicContact CB-CZ2 4.23Å; C486-W495 WeakPolarHBondContact SG-CZ2 3.41Å; H489-W495 VanDerWaalsContact O-CD1 3.28Å; H489-W495 PolarHBondContact O-NE1 3.2Å; D492-W495 CarbonylContact O-C 3.22Å; D492-W495 WeakPolarHBondContact O-CA 3.13Å; D492-W495 PolarHBondContact O-N 3.14Å; N493-W495 VanDerWaalsContact C-N 3.26Å; W495-R503 HydrophobicContact CD2-CG 4.2Å; W495-R503 HydrophobicContact CE3-CB 4.43Å; W495-R503 HydrophobicContact CE3-CG 3.85Å; W495-R503 HydrophobicContact CH2-CB 4.06Å; W495-R503 HydrophobicContact CH2-CG 3.92Å; W495-R503 HydrophobicContact CZ2-CG 4.23Å; W495-R503 HydrophobicContact CZ3-CB 3.86Å; W495-R503 HydrophobicContact CZ3-CG 3.72Å; W495-I507 HydrophobicContact CH2-CD1 4.49Å
496	T	93.2	Very high	92.9	Very high	43 Å²	43	49.4 Å²	49.4	26%	0.264	25%	0.248	S	C	.	.	S	Bend	trans	-100.6	167	174.2	65.9	0	0	0	0	111.2	N493 Y498 T499 L500	N493-T496 WeakPolarHBondContact O-CG2 3.47Å; T496-Y498 PolarHBondContact O-N 3.42Å; T496-Y498 PolarHBondContact OG1-N 3.39Å; T496-T499 PolarHBondContact N-OG1 3.45Å; T496-T499 PolarHBondContact O-N 3.42Å; T496-T499 PolarHBondContact O-OG1 3.34Å; T496-T499 PolarHBondContact OG1-N 2.98Å; T496-T499 PolarHBondContact OG1-OG1 2.9Å; T496-L500 PolarHBondContact O-N 3.32Å
497	E	90.9	Very high	93.1	Very high	65 Å²	65	49.5 Å²	49.5	30%	0.304	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-35.2	170.3	-71.9	-168.2	117.8	0	0	113	Y99 I423	Y99-E497 HydrophobicContact CD2-CB 3.89Å; Y99-E497 VanDerWaalsContact CD2-O 3.28Å; Y99-E497 WeakPolarHBondContact CD2-O 3.49Å; Y99-E497 HydrophobicContact CE2-CB 3.49Å; Y99-E497 VanDerWaalsContact CE2-CB 3.49Å; Y99-E497 HydrophobicContact CE2-CG 3.83Å; Y99-E497 WeakPolarHBondContact CE2-OE1 3.37Å; Y99-E497 PolarHBondContact OH-OE1 3.09Å; I423-E497 HydrophobicContact CD1-CG 3.67Å
498	Y	90.4	Very high	93.3	Very high	166 Å²	166	47.2 Å²	47.2	65%	0.651	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-31.9	-178.7	-54.3	-71.9	0	0	0	113.2	T496	T496-Y498 PolarHBondContact O-N 3.42Å; T496-Y498 PolarHBondContact OG1-N 3.39Å
499	T	93.3	Very high	93.6	Very high	32 Å²	32	47.3 Å²	47.3	20%	0.196	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-5.9	178.6	58.6	0	0	0	0	113.4	D494 T496 G501 D502 R503	D494-T499 WeakPolarHBondContact O-CB 3.21Å; D494-T499 PolarHBondContact O-OG1 3.49Å; T496-T499 PolarHBondContact N-OG1 3.45Å; T496-T499 PolarHBondContact O-N 3.42Å; T496-T499 PolarHBondContact O-OG1 3.34Å; T496-T499 PolarHBondContact OG1-N 2.98Å; T496-T499 PolarHBondContact OG1-OG1 2.9Å; T499-G501 VanDerWaalsContact C-N 3.27Å; T499-G501 PolarHBondContact O-N 3.2Å; T499-D502 WeakPolarHBondContact O-CB 2.88Å; T499-D502 PolarHBondContact O-N 3.3Å; T499-R503 PolarHBondContact O-N 3.3Å
500	L	94.5	Very high	93.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-54.5	-39.8	-179.7	177.8	59.7	0	0	0	113	L102 I423 Q426 C427 I430 T496 R503 I504	L102-L500 HydrophobicContact CD1-CG 4.3Å; I423-L500 HydrophobicContact CG2-CB 4.39Å; I423-L500 HydrophobicContact CG2-CD1 4.09Å; Q426-L500 HydrophobicContact CG-CD2 4.19Å; C427-L500 HydrophobicContact CB-CD1 3.5Å; I430-L500 HydrophobicContact CD1-CD2 4.16Å; T496-L500 PolarHBondContact O-N 3.32Å; L500-R503 PolarHBondContact O-N 3.36Å; L500-I504 HydrophobicContact CD1-CD1 4.15Å; L500-I504 HydrophobicContact CD1-CG1 4.45Å; L500-I504 HydrophobicContact CG-CD1 4.11Å; L500-I504 WeakPolarHBondContact O-CG1 3.34Å; L500-I504 PolarHBondContact O-N 3.21Å
501	G	93.7	Very high	94.2	Very high	3 Å²	3	46.8 Å²	46.8	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-42.3	175.4	0	0	0	0	0	112.6	T499 I504 N505	T499-G501 VanDerWaalsContact C-N 3.27Å; T499-G501 PolarHBondContact O-N 3.2Å; G501-I504 PolarHBondContact O-N 3.02Å; G501-N505 WeakPolarHBondContact O-CB 3.34Å; G501-N505 PolarHBondContact O-N 3.25Å; G501-N505 PolarHBondContact O-ND2 3.44Å
502	D	94.4	Very high	94.6	Very high	74 Å²	74	44.3 Å²	44.3	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-66.9	-38.7	178.6	-55.1	-39.9	0	0	0	111.5	T499 N505 S506	T499-D502 WeakPolarHBondContact O-CB 2.88Å; T499-D502 PolarHBondContact O-N 3.3Å; D502-N505 PolarHBondContact O-N 3.02Å; D502-S506 WeakPolarHBondContact O-CB 3.31Å; D502-S506 PolarHBondContact O-N 2.83Å
503	R	96.6	Very high	95.1	Very high	28 Å²	28	41.4 Å²	41.4	11%	0.106	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-45.1	173.6	-63.5	-55	106.9	-114.2	-6.5	111.8	E485 H489 W495 T499 L500 N505 S506 I507	E485-R503 IonicContact OE1-CZ 3.77Å; E485-R503 IonicContact OE1-NH1 2.7Å; E485-R503 PolarHBondContact OE1-NH1 2.81Å; H489-R503 VanDerWaalsContact CE1-CZ 3.48Å; H489-R503 PolarHBondContact CE1-NH1 2.89Å; H489-R503 PolarHBondContact NE2-NH1 3.07Å; H489-R503 PolarHBondContact NE2-NH2 2.86Å; W495-R503 HydrophobicContact CD2-CG 4.2Å; W495-R503 HydrophobicContact CE3-CB 4.43Å; W495-R503 HydrophobicContact CE3-CG 3.85Å; W495-R503 HydrophobicContact CH2-CB 4.06Å; W495-R503 HydrophobicContact CH2-CG 3.92Å; W495-R503 HydrophobicContact CZ2-CG 4.23Å; W495-R503 HydrophobicContact CZ3-CB 3.86Å; W495-R503 HydrophobicContact CZ3-CG 3.72Å; T499-R503 PolarHBondContact O-N 3.3Å; L500-R503 PolarHBondContact O-N 3.36Å; R503-N505 PolarHBondContact O-N 3.5Å; R503-S506 PolarHBondContact O-N 3.38Å; R503-I507 WeakPolarHBondContact O-CB 3.37Å; R503-I507 WeakPolarHBondContact O-CD1 3.33Å; R503-I507 VanDerWaalsContact O-CG1 3.28Å; R503-I507 WeakPolarHBondContact O-CG1 3.42Å; R503-I507 PolarHBondContact O-N 2.95Å
504	I	96.6	Very high	95.4	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	18%	0.18	C	C	.	.	H	α-helix	trans	-59.7	-47.4	175.9	-72.1	166.9	0	0	0	110.7	L102 I430 L431 L500 G501 S506 I507 L508	L102-I504 HydrophobicContact CD1-CD1 4.13Å; L102-I504 HydrophobicContact CD2-CD1 3.53Å; L102-I504 HydrophobicContact CG-CD1 4.48Å; I430-I504 HydrophobicContact CB-CD1 4.25Å; I430-I504 HydrophobicContact CD1-CD1 4.16Å; I430-I504 HydrophobicContact CG2-CD1 3.8Å; L431-I504 HydrophobicContact CD2-CG2 3.98Å; L431-I504 HydrophobicContact CG-CG1 4.36Å; L500-I504 HydrophobicContact CD1-CD1 4.15Å; L500-I504 HydrophobicContact CD1-CG1 4.45Å; L500-I504 HydrophobicContact CG-CD1 4.11Å; L500-I504 WeakPolarHBondContact O-CG1 3.34Å; L500-I504 PolarHBondContact O-N 3.21Å; G501-I504 PolarHBondContact O-N 3.02Å; I504-S506 PolarHBondContact O-N 3.43Å; I504-I507 PolarHBondContact O-N 3.03Å; I504-L508 HydrophobicContact CG2-CD1 4.14Å; I504-L508 WeakPolarHBondContact O-CG 3.47Å; I504-L508 PolarHBondContact O-N 2.93Å
505	N	95.4	Very high	95.6	Very high	22 Å²	22	33.1 Å²	33.1	12%	0.118	17%	0.168	C	C	.	.	H	α-helix	trans	-62.7	-42.4	179.1	-70.1	-26.4	0	0	0	111.9	G501 D502 R503 L508 L509 L550 L554	G501-N505 WeakPolarHBondContact O-CB 3.34Å; G501-N505 PolarHBondContact O-N 3.25Å; G501-N505 PolarHBondContact O-ND2 3.44Å; D502-N505 PolarHBondContact O-N 3.02Å; R503-N505 PolarHBondContact O-N 3.5Å; N505-L508 PolarHBondContact O-N 3.36Å; N505-L509 WeakPolarHBondContact O-CB 3.46Å; N505-L509 PolarHBondContact O-N 3.42Å; N505-L550 HydrophobicContact CB-CD1 3.97Å; N505-L554 HydrophobicContact CB-CD2 4.38Å; N505-L554 WeakPolarHBondContact ND2-CD2 3.39Å
506	S	97.4	Very high	95.7	Very high	36 Å²	36	38.4 Å²	38.4	25%	0.252	19%	0.193	S	C	.	.	H	α-helix	trans	-67.4	-39	178.4	-158.1	0	0	0	0	112.5	E485 D502 R503 I504 L509 Q510	E485-S506 WeakPolarHBondContact OE1-CB 3.46Å; E485-S506 PolarHBondContact OE1-OG 3.26Å; D502-S506 WeakPolarHBondContact O-CB 3.31Å; D502-S506 PolarHBondContact O-N 2.83Å; R503-S506 PolarHBondContact O-N 3.38Å; I504-S506 PolarHBondContact O-N 3.43Å; S506-L509 PolarHBondContact O-N 2.95Å; S506-Q510 WeakPolarHBondContact O-CB 3.3Å; S506-Q510 PolarHBondContact O-N 3.34Å
507	I	98.3	Very high	95.8	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-40.2	175.2	-69.6	160.9	0	0	0	111.6	L431 L481 V482 E485 W495 R503 I504 Q510 L511	L431-I507 HydrophobicContact CD1-CB 4.01Å; L431-I507 HydrophobicContact CD1-CD1 3.64Å; L431-I507 HydrophobicContact CD1-CG1 4.42Å; L431-I507 HydrophobicContact CD1-CG2 3.62Å; L431-I507 HydrophobicContact CD2-CG2 4.21Å; L481-I507 HydrophobicContact CB-CG2 3.92Å; V482-I507 HydrophobicContact CB-CD1 4.49Å; V482-I507 HydrophobicContact CG2-CD1 3.87Å; E485-I507 HydrophobicContact CB-CD1 3.9Å; E485-I507 HydrophobicContact CB-CG1 3.66Å; E485-I507 HydrophobicContact CG-CD1 3.87Å; E485-I507 HydrophobicContact CG-CG1 3.61Å; W495-I507 HydrophobicContact CH2-CD1 4.49Å; R503-I507 WeakPolarHBondContact O-CB 3.37Å; R503-I507 WeakPolarHBondContact O-CD1 3.33Å; R503-I507 VanDerWaalsContact O-CG1 3.28Å; R503-I507 WeakPolarHBondContact O-CG1 3.42Å; R503-I507 PolarHBondContact O-N 2.95Å; I504-I507 PolarHBondContact O-N 3.03Å; I507-Q510 PolarHBondContact O-N 3.2Å; I507-L511 WeakPolarHBondContact O-CB 3.45Å; I507-L511 PolarHBondContact O-N 2.85Å
508	L	97.6	Very high	96	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-40.1	173.8	-73.1	174	0	0	0	111.7	L431 I504 N505 L511 I512 L549 L550 L553	L431-L508 HydrophobicContact CD2-CD2 4.14Å; L431-L508 HydrophobicContact CD2-CG 4.04Å; I504-L508 HydrophobicContact CG2-CD1 4.14Å; I504-L508 WeakPolarHBondContact O-CG 3.47Å; I504-L508 PolarHBondContact O-N 2.93Å; N505-L508 PolarHBondContact O-N 3.36Å; L508-L511 WeakPolarHBondContact O-CB 3.4Å; L508-L511 PolarHBondContact O-N 3.48Å; L508-I512 VanDerWaalsContact O-CD1 3.29Å; L508-I512 WeakPolarHBondContact O-CD1 3.45Å; L508-I512 VanDerWaalsContact O-CG1 3.22Å; L508-I512 WeakPolarHBondContact O-CG1 3.46Å; L508-I512 PolarHBondContact O-N 3.34Å; L508-L549 HydrophobicContact CD1-CD2 4.49Å; L508-L549 HydrophobicContact CD2-CD2 4.28Å; L508-L550 HydrophobicContact CB-CB 4.27Å; L508-L550 HydrophobicContact CB-CD1 4.08Å; L508-L550 HydrophobicContact CB-CD2 4.37Å; L508-L550 HydrophobicContact CB-CG 4.47Å; L508-L550 HydrophobicContact CD1-CB 4.38Å; L508-L550 HydrophobicContact CD1-CD1 4.28Å; L508-L553 HydrophobicContact CD1-CD1 3.69Å
509	L	97.8	Very high	96.3	Very high	94 Å²	94	41.8 Å²	41.8	49%	0.492	20%	0.203	S	C	.	.	H	α-helix	trans	-64.8	-41.1	174.5	-173.1	63.7	0	0	0	111.8	N505 S506 I512 S513 L550	N505-L509 WeakPolarHBondContact O-CB 3.46Å; N505-L509 PolarHBondContact O-N 3.42Å; S506-L509 PolarHBondContact O-N 2.95Å; L509-I512 PolarHBondContact O-N 3.32Å; L509-S513 PolarHBondContact O-N 2.88Å; L509-L550 HydrophobicContact CB-CD2 4.08Å; L509-L550 HydrophobicContact CD1-CD2 4.2Å
510	Q	97.8	Very high	96.4	Very high	58 Å²	58	40.2 Å²	40.2	27%	0.271	19%	0.194	S	C	.	.	H	α-helix	trans	-63.1	-41.3	173.9	-175.1	67.9	62.1	0	0	111.8	L481 S506 I507 S513 C514	L481-Q510 HydrophobicContact CD2-CB 4.42Å; L481-Q510 HydrophobicContact CD2-CG 3.61Å; S506-Q510 WeakPolarHBondContact O-CB 3.3Å; S506-Q510 PolarHBondContact O-N 3.34Å; I507-Q510 PolarHBondContact O-N 3.2Å; Q510-S513 PolarHBondContact O-N 2.97Å; Q510-C514 PolarHBondContact NE2-SG 3.33Å; Q510-C514 WeakPolarHBondContact O-CB 3.32Å; Q510-C514 PolarHBondContact O-N 3.43Å; Q510-C514 PolarHBondContact O-SG 3.38Å
511	L	97.7	Very high	96.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-47.1	175.2	175.4	60	0	0	0	111.2	L439 I473 I478 L481 I507 L508 S513 C514 L515 F531 A546	L439-L511 HydrophobicContact CD1-CD2 3.8Å; I473-L511 HydrophobicContact CD1-CD1 3.71Å; I473-L511 HydrophobicContact CG1-CD1 4.24Å; I478-L511 HydrophobicContact CD1-CD2 4.18Å; L481-L511 HydrophobicContact CD1-CB 3.62Å; L481-L511 HydrophobicContact CD1-CD1 3.73Å; L481-L511 HydrophobicContact CD1-CG 4.21Å; I507-L511 WeakPolarHBondContact O-CB 3.45Å; I507-L511 PolarHBondContact O-N 2.85Å; L508-L511 WeakPolarHBondContact O-CB 3.4Å; L508-L511 PolarHBondContact O-N 3.48Å; L511-S513 PolarHBondContact O-N 2.84Å; L511-C514 PolarHBondContact O-N 3.35Å; L511-L515 HydrophobicContact CD1-CD1 3.91Å; L511-L515 HydrophobicContact CD1-CG 4.13Å; L511-L515 HydrophobicContact CG-CD1 3.94Å; L511-L515 WeakPolarHBondContact O-CB 3.41Å; L511-L515 VanDerWaalsContact O-CG 3.3Å; L511-L515 WeakPolarHBondContact O-CG 3.46Å; L511-L515 PolarHBondContact O-N 3.36Å; L511-F531 HydrophobicContact CD1-CZ 4.2Å; L511-A546 HydrophobicContact CD2-CB 4.31Å
512	I	97.5	Very high	96.5	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-61	-45.9	178.1	-66.2	157.9	0	0	0	110.2	L508 L509 L515 Q516 A546 W547 L550	L508-I512 VanDerWaalsContact O-CD1 3.29Å; L508-I512 WeakPolarHBondContact O-CD1 3.45Å; L508-I512 VanDerWaalsContact O-CG1 3.22Å; L508-I512 WeakPolarHBondContact O-CG1 3.46Å; L508-I512 PolarHBondContact O-N 3.34Å; L509-I512 PolarHBondContact O-N 3.32Å; I512-L515 PolarHBondContact O-N 3.34Å; I512-Q516 HydrophobicContact CG2-CG 4.5Å; I512-Q516 WeakPolarHBondContact O-CB 3.24Å; I512-Q516 VanDerWaalsContact O-CG 3.32Å; I512-Q516 WeakPolarHBondContact O-CG 3.4Å; I512-Q516 PolarHBondContact O-N 3.47Å; I512-A546 HydrophobicContact CD1-CB 4.14Å; I512-A546 HydrophobicContact CG1-CB 3.61Å; I512-W547 HydrophobicContact CD1-CB 4.07Å; I512-W547 HydrophobicContact CD1-CE3 4.09Å; I512-L550 HydrophobicContact CD1-CB 4.3Å; I512-L550 HydrophobicContact CD1-CD2 3.79Å
513	S	97.6	Very high	96.6	Very high	41 Å²	41	38.5 Å²	38.5	29%	0.287	18%	0.184	S	C	.	.	H	α-helix	trans	-59.9	-48.6	175.6	-179.1	0	0	0	0	112.2	L509 Q510 L511 L515 Q516 H517	L509-S513 PolarHBondContact O-N 2.88Å; Q510-S513 PolarHBondContact O-N 2.97Å; L511-S513 PolarHBondContact O-N 2.84Å; S513-L515 VanDerWaalsContact C-N 3.3Å; S513-L515 PolarHBondContact O-N 3.5Å; S513-Q516 PolarHBondContact O-N 3.28Å; S513-H517 WeakPolarHBondContact O-CB 3.38Å; S513-H517 PolarHBondContact O-N 2.86Å; S513-H517 PolarHBondContact O-ND1 3.03Å; S513-H517 PolarHBondContact OG-CE1 3.41Å; S513-H517 PolarHBondContact OG-ND1 3.49Å
514	C	97.3	Very high	96.6	Very high	7 Å²	7	37.1 Å²	37.1	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-38.4	177.2	-77.3	0	0	0	0	112.7	Q510 L511 R518 R519 C520 F531	Q510-C514 PolarHBondContact NE2-SG 3.33Å; Q510-C514 WeakPolarHBondContact O-CB 3.32Å; Q510-C514 PolarHBondContact O-N 3.43Å; Q510-C514 PolarHBondContact O-SG 3.38Å; L511-C514 PolarHBondContact O-N 3.35Å; C514-R518 PolarHBondContact O-N 3.16Å; C514-R519 WeakPolarHBondContact CA-O 3.4Å; C514-R519 WeakPolarHBondContact CB-O 3.39Å; C514-R519 PolarHBondContact O-N 2.91Å; C514-R519 PolarHBondContact SG-O 3.29Å; C514-R519 VanDerWaalsContact SG-O 3.41Å; C514-C520 HydrophobicContact CB-CB 4.02Å; C514-F531 HydrophobicContact CB-CE2 3.76Å; C514-F531 HydrophobicContact CB-CZ 4.43Å
515	L	95.8	Very high	96.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-68.9	-40.1	177.2	-76.9	169.8	0	0	0	112.3	I473 L511 I512 S513 R518 F531 M539 T542 A543	I473-L515 HydrophobicContact CD1-CD2 4.07Å; L511-L515 HydrophobicContact CD1-CD1 3.91Å; L511-L515 HydrophobicContact CD1-CG 4.13Å; L511-L515 HydrophobicContact CG-CD1 3.94Å; L511-L515 WeakPolarHBondContact O-CB 3.41Å; L511-L515 VanDerWaalsContact O-CG 3.3Å; L511-L515 WeakPolarHBondContact O-CG 3.46Å; L511-L515 PolarHBondContact O-N 3.36Å; I512-L515 PolarHBondContact O-N 3.34Å; S513-L515 VanDerWaalsContact C-N 3.3Å; S513-L515 PolarHBondContact O-N 3.5Å; L515-R518 VanDerWaalsContact O-CD 3.31Å; L515-R518 WeakPolarHBondContact O-CD 3.48Å; L515-R518 PolarHBondContact O-N 2.72Å; L515-R518 PolarHBondContact O-NE 3.05Å; L515-F531 HydrophobicContact CD2-CE2 3.76Å; L515-F531 HydrophobicContact CD2-CZ 3.9Å; L515-F531 HydrophobicContact CG-CE2 3.96Å; L515-F531 HydrophobicContact CG-CZ 4.15Å; L515-M539 HydrophobicContact CD2-CB 3.85Å; L515-M539 HydrophobicContact CD2-CG 3.91Å; L515-T542 HydrophobicContact CD1-CG2 4.03Å; L515-A543 HydrophobicContact CB-CB 3.92Å; L515-A543 HydrophobicContact CD1-CB 4.24Å
516	Q	95.9	Very high	96.4	Very high	121 Å²	121	38.3 Å²	38.3	57%	0.565	19%	0.188	S	C	*	.	H	α-helix	trans	-65.8	-47.5	176.1	-73.9	172.3	-42.1	0	0	111.4	I512 S513 R518	I512-Q516 HydrophobicContact CG2-CG 4.5Å; I512-Q516 WeakPolarHBondContact O-CB 3.24Å; I512-Q516 VanDerWaalsContact O-CG 3.32Å; I512-Q516 WeakPolarHBondContact O-CG 3.4Å; I512-Q516 PolarHBondContact O-N 3.47Å; S513-Q516 PolarHBondContact O-N 3.28Å; Q516-R518 PolarHBondContact O-N 3.07Å; Q516-R518 PolarHBondContact O-NE 3.42Å
517	H	96.2	Very high	96.1	Very high	135 Å²	135	43.9 Å²	43.9	63%	0.625	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-1	178.7	-64.3	96.5	0	0	0	114.2	S513 R519	S513-H517 WeakPolarHBondContact O-CB 3.38Å; S513-H517 PolarHBondContact O-N 2.86Å; S513-H517 PolarHBondContact O-ND1 3.03Å; S513-H517 PolarHBondContact OG-CE1 3.41Å; S513-H517 PolarHBondContact OG-ND1 3.49Å; H517-R519 PolarHBondContact O-N 2.71Å; H517-R519 VanDerWaalsContact O-N 3.16Å
518	R	95	Very high	95.8	Very high	81 Å²	81	44.2 Å²	44.2	31%	0.306	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	27.3	-179.3	-43.3	-59.3	164.5	141.7	11.1	114.2	C514 L515 Q516 T536 M539 D540	C514-R518 PolarHBondContact O-N 3.16Å; L515-R518 VanDerWaalsContact O-CD 3.31Å; L515-R518 WeakPolarHBondContact O-CD 3.48Å; L515-R518 PolarHBondContact O-N 2.72Å; L515-R518 PolarHBondContact O-NE 3.05Å; Q516-R518 PolarHBondContact O-N 3.07Å; Q516-R518 PolarHBondContact O-NE 3.42Å; R518-T536 PolarHBondContact NH1-O 3.33Å; R518-M539 HydrophobicContact CB-CE 4.35Å; R518-D540 IonicContact CZ-OD1 3.5Å; R518-D540 IonicContact CZ-OD2 3.28Å; R518-D540 VanDerWaalsContact CZ-OD2 3.28Å; R518-D540 IonicContact NH1-OD1 3.63Å; R518-D540 IonicContact NH1-OD2 2.81Å; R518-D540 PolarHBondContact NH1-OD2 2.93Å; R518-D540 IonicContact NH2-OD1 2.76Å; R518-D540 PolarHBondContact NH2-OD1 3.02Å; R518-D540 IonicContact NH2-OD2 2.84Å; R518-D540 PolarHBondContact NH2-OD2 3.46Å
519	R	95.5	Very high	95.7	Very high	129 Å²	129	45.4 Å²	45.4	49%	0.487	22%	0.223	S	C	.	.			trans	-146.8	126.7	-174.9	-174.3	174.4	179.5	-102.5	-5.2	111.4	C514 H517 P526 D529	C514-R519 WeakPolarHBondContact CA-O 3.4Å; C514-R519 WeakPolarHBondContact CB-O 3.39Å; C514-R519 PolarHBondContact O-N 2.91Å; C514-R519 PolarHBondContact SG-O 3.29Å; C514-R519 VanDerWaalsContact SG-O 3.41Å; H517-R519 PolarHBondContact O-N 2.71Å; H517-R519 VanDerWaalsContact O-N 3.16Å; R519-P526 PolarHBondContact NH2-O 3.24Å; R519-D529 WeakPolarHBondContact CA-OD1 3.35Å
520	C	95.4	Very high	95.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.			trans	-131.6	105.7	168.4	-175.5	0	0	0	0	108.6	C514 H522 D529 I530 F531	C514-C520 HydrophobicContact CB-CB 4.02Å; C520-H522 PolarHBondContact O-N 2.97Å; C520-D529 PolarHBondContact N-OD1 3.32Å; C520-I530 HydrophobicContact CB-CD1 4.06Å; C520-I530 HydrophobicContact CB-CG1 3.73Å; C520-I530 WeakPolarHBondContact O-CG1 3.39Å; C520-I530 PolarHBondContact O-N 3.42Å; C520-I530 VanDerWaalsContact SG-CD1 3.53Å; C520-F531 HydrophobicContact CB-CD1 4.04Å; C520-F531 HydrophobicContact CB-CD2 3.7Å; C520-F531 HydrophobicContact CB-CE1 4.08Å; C520-F531 HydrophobicContact CB-CE2 3.75Å; C520-F531 HydrophobicContact CB-CG 3.86Å; C520-F531 HydrophobicContact CB-CZ 3.94Å
521	P	95.5	Very high	95.2	Very high	31 Å²	31	38.3 Å²	38.3	20%	0.201	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	133.7	-177	27.6	-33.2	0	0	0	110.9	T480 H484 Y523 L528	T480-P521 WeakPolarHBondContact CG2-O 3.33Å; H484-P521 PolarHBondContact NE2-O 3.02Å; P521-Y523 PolarHBondContact O-N 3.44Å; P521-L528 WeakPolarHBondContact CA-O 3.47Å
522	H	96.1	Very high	94.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	133.6	172.5	172	-91.3	0	0	0	110.6	R11 F410 Y476 C520 F524 L525 L528 I530	R11-H522 VanDerWaalsContact CZ-CD2 3.43Å; R11-H522 PolarHBondContact NH1-NE2 2.91Å; R11-H522 PolarHBondContact NH2-CD2 3.12Å; R11-H522 PolarHBondContact NH2-NE2 3.01Å; R11-H522 VanDerWaalsContact NH2-NE2 3.16Å; F410-H522 AromaticContact CD2-CE1 3.74Å; F410-H522 AromaticContact CE2-CE1 3.97Å; Y476-H522 AromaticContact CE1-CD2 3.96Å; Y476-H522 AromaticContact CZ-CD2 3.89Å; Y476-H522 PolarHBondContact OH-CD2 3.32Å; Y476-H522 PolarHBondContact OH-NE2 2.69Å; C520-H522 PolarHBondContact O-N 2.97Å; H522-F524 PolarHBondContact ND1-N 3.27Å; H522-F524 PolarHBondContact O-N 3.39Å; H522-L525 HydrophobicContact CB-CB 4.38Å; H522-L525 WeakPolarHBondContact ND1-CB 3.48Å; H522-L525 WeakPolarHBondContact ND1-CG 3.45Å; H522-L525 PolarHBondContact ND1-N 3.27Å; H522-L525 CarbonylContact O-C 3.33Å; H522-L525 PolarHBondContact O-N 3.27Å; H522-L528 HydrophobicContact CB-CB 3.97Å; H522-L528 HydrophobicContact CB-CD2 4.07Å; H522-L528 HydrophobicContact CB-CG 4.47Å; H522-L528 PolarHBondContact N-O 2.97Å; H522-I530 HydrophobicContact CB-CG2 3.76Å
523	Y	96.5	Very high	94.3	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.035	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-51.9	-169.2	174.5	-105.4	0	0	0	114.2	W351 W370 L417 L483 P521	W351-Y523 HydrophobicContact CZ2-CE1 4.49Å; W351-Y523 AromaticContact NE1-CE1 3.69Å; W351-Y523 AromaticContact NE1-CZ 3.34Å; W351-Y523 VanDerWaalsContact NE1-CZ 3.34Å; W351-Y523 PolarHBondContact NE1-OH 3.48Å; W370-Y523 HydrophobicContact CH2-CE1 4.49Å; W370-Y523 AromaticContact CH2-CE2 3.58Å; W370-Y523 HydrophobicContact CH2-CE2 3.58Å; W370-Y523 AromaticContact CH2-CZ 3.42Å; W370-Y523 VanDerWaalsContact CH2-CZ 3.42Å; W370-Y523 WeakPolarHBondContact CH2-OH 2.92Å; W370-Y523 AromaticContact CZ3-CE2 3.69Å; W370-Y523 HydrophobicContact CZ3-CE2 3.69Å; W370-Y523 AromaticContact CZ3-CZ 3.67Å; W370-Y523 WeakPolarHBondContact CZ3-OH 3.1Å; L417-Y523 HydrophobicContact CD1-CD1 4.4Å; L417-Y523 HydrophobicContact CD1-CE1 3.48Å; L417-Y523 VanDerWaalsContact CD1-CE1 3.48Å; L483-Y523 HydrophobicContact CB-CD1 4.15Å; L483-Y523 HydrophobicContact CB-CD2 3.65Å; L483-Y523 HydrophobicContact CB-CE1 4.4Å; L483-Y523 HydrophobicContact CB-CE2 3.96Å; L483-Y523 HydrophobicContact CB-CG 3.77Å; L483-Y523 HydrophobicContact CD1-CD1 3.76Å; L483-Y523 HydrophobicContact CD1-CE1 4.31Å; L483-Y523 HydrophobicContact CD1-CG 3.98Å; L483-Y523 HydrophobicContact CG-CD1 4.48Å; L483-Y523 HydrophobicContact CG-CG 4.49Å; P521-Y523 PolarHBondContact O-N 3.44Å
524	F	96.2	Very high	93.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.2	177.2	-63.4	-69.6	0	0	0	114.9	W344 A348 H350 W351 V379 F410 A413 E414 L417 H522	W344-F524 AromaticContact CH2-CD1 3.96Å; W344-F524 HydrophobicContact CH2-CD1 3.96Å; W344-F524 AromaticContact CH2-CE1 3.69Å; W344-F524 HydrophobicContact CH2-CE1 3.69Å; W344-F524 HydrophobicContact CH2-CE2 4.43Å; W344-F524 HydrophobicContact CH2-CG 4.4Å; W344-F524 AromaticContact CH2-CZ 3.94Å; W344-F524 HydrophobicContact CH2-CZ 3.94Å; W344-F524 AromaticContact CZ2-CD1 3.62Å; W344-F524 HydrophobicContact CZ2-CD1 3.62Å; W344-F524 AromaticContact CZ2-CE1 3.72Å; W344-F524 HydrophobicContact CZ2-CE1 3.72Å; W344-F524 HydrophobicContact CZ2-CG 4.22Å; W344-F524 HydrophobicContact CZ2-CZ 4.42Å; A348-F524 HydrophobicContact CB-CB 4.37Å; A348-F524 WeakPolarHBondContact CB-O 3.5Å; H350-F524 PolarHBondContact CE1-O 2.98Å; H350-F524 VanDerWaalsContact CE1-O 3.24Å; W351-F524 HydrophobicContact CB-CD1 4.4Å; W351-F524 AromaticContact CD1-CD1 3.99Å; W351-F524 AromaticContact CD2-CD1 3.76Å; W351-F524 HydrophobicContact CD2-CD1 3.76Å; W351-F524 AromaticContact CD2-CE1 3.62Å; W351-F524 HydrophobicContact CD2-CE1 3.62Å; W351-F524 AromaticContact CE2-CE1 3.61Å; W351-F524 HydrophobicContact CE3-CD1 4.21Å; W351-F524 AromaticContact CE3-CE1 3.85Å; W351-F524 HydrophobicContact CE3-CE1 3.85Å; W351-F524 AromaticContact CG-CD1 3.78Å; W351-F524 HydrophobicContact CG-CD1 3.78Å; W351-F524 HydrophobicContact CG-CE1 4.15Å; W351-F524 HydrophobicContact CH2-CE1 4.08Å; W351-F524 AromaticContact CZ2-CE1 3.86Å; W351-F524 HydrophobicContact CZ2-CE1 3.86Å; W351-F524 HydrophobicContact CZ3-CE1 4.08Å; V379-F524 HydrophobicContact CG1-CE1 4.21Å; V379-F524 HydrophobicContact CG1-CZ 3.93Å; F410-F524 HydrophobicContact CB-CD2 3.51Å; F410-F524 HydrophobicContact CB-CE2 3.65Å; F410-F524 HydrophobicContact CD1-CB 4.43Å; F410-F524 AromaticContact CD1-CD2 3.89Å; F410-F524 HydrophobicContact CD1-CD2 3.89Å; F410-F524 HydrophobicContact CD1-CE2 4.31Å; F410-F524 HydrophobicContact CD1-CG 4.24Å; F410-F524 HydrophobicContact CD2-CB 4.26Å; F410-F524 HydrophobicContact CD2-CD2 4.09Å; F410-F524 HydrophobicContact CE1-CB 4.38Å; F410-F524 HydrophobicContact CE2-CB 4.23Å; F410-F524 HydrophobicContact CG-CB 4.36Å; F410-F524 AromaticContact CG-CD2 3.57Å; F410-F524 HydrophobicContact CG-CD2 3.57Å; F410-F524 HydrophobicContact CG-CE2 4.11Å; F410-F524 HydrophobicContact CG-CG 4.23Å; F410-F524 HydrophobicContact CZ-CB 4.27Å; A413-F524 HydrophobicContact CB-CE2 4.34Å; A413-F524 HydrophobicContact CB-CZ 4.27Å; E414-F524 HydrophobicContact CG-CD2 4.42Å; E414-F524 HydrophobicContact CG-CE2 3.77Å; L417-F524 HydrophobicContact CD1-CE1 4.05Å; L417-F524 HydrophobicContact CD1-CE2 4.42Å; L417-F524 HydrophobicContact CD1-CZ 3.54Å; H522-F524 PolarHBondContact ND1-N 3.27Å; H522-F524 PolarHBondContact O-N 3.39Å
525	L	95.5	Very high	93.4	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.047	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	75.8	-172	-57.3	172.8	0	0	0	109.1	S347 A348 L408 F410 H522 N527 L528	S347-L525 WeakPolarHBondContact O-CD2 3.43Å; S347-L525 WeakPolarHBondContact OG-CD2 3.17Å; A348-L525 HydrophobicContact CB-CD2 3.98Å; L408-L525 HydrophobicContact CD1-CD1 4.29Å; F410-L525 HydrophobicContact CE2-CD1 3.87Å; F410-L525 HydrophobicContact CE2-CD2 4.35Å; F410-L525 HydrophobicContact CE2-CG 3.97Å; F410-L525 HydrophobicContact CZ-CD2 4.36Å; F410-L525 HydrophobicContact CZ-CG 4.43Å; H522-L525 HydrophobicContact CB-CB 4.38Å; H522-L525 WeakPolarHBondContact ND1-CB 3.48Å; H522-L525 WeakPolarHBondContact ND1-CG 3.45Å; H522-L525 PolarHBondContact ND1-N 3.27Å; H522-L525 CarbonylContact O-C 3.33Å; H522-L525 PolarHBondContact O-N 3.27Å; L525-N527 PolarHBondContact O-N 3.25Å; L525-L528 HydrophobicContact CB-CB 4.13Å; L525-L528 HydrophobicContact CD1-CD2 4.5Å; L525-L528 WeakPolarHBondContact O-CB 3.09Å; L525-L528 PolarHBondContact O-N 3.45Å
526	P	92.5	Very high	93.2	Very high	40 Å²	40	50.7 Å²	50.7	26%	0.26	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	-15.7	-168.1	27.7	-35.4	0	0	0	114.3	H350 M353 R519 L528	H350-P526 WeakPolarHBondContact CE1-CD 3.5Å; H350-P526 WeakPolarHBondContact NE2-CD 3.22Å; M353-P526 HydrophobicContact CE-CG 4.5Å; R519-P526 PolarHBondContact NH2-O 3.24Å; P526-L528 VanDerWaalsContact C-N 3.33Å
527	N	90	Very high	93	Very high	153 Å²	153	50.3 Å²	50.3	82%	0.818	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.1	-18.3	172.5	-65	-20.7	0	0	0	113	L525	L525-N527 PolarHBondContact O-N 3.25Å
528	L	93.4	Very high	92.7	Very high	10 Å²	10	44.3 Å²	44.3	5%	0.052	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	134.6	174.4	-164	82.5	0	0	0	109.5	L12 P259 Y393 P521 H522 L525 P526	L12-L528 HydrophobicContact CD1-CD2 4.43Å; P259-L528 HydrophobicContact CB-CD1 4.07Å; Y393-L528 HydrophobicContact CD2-CD1 3.94Å; Y393-L528 HydrophobicContact CE2-CD1 3.28Å; Y393-L528 HydrophobicContact CE2-CG 4.14Å; P521-L528 WeakPolarHBondContact CA-O 3.47Å; H522-L528 HydrophobicContact CB-CB 3.97Å; H522-L528 HydrophobicContact CB-CD2 4.07Å; H522-L528 HydrophobicContact CB-CG 4.47Å; H522-L528 PolarHBondContact N-O 2.97Å; L525-L528 HydrophobicContact CB-CB 4.13Å; L525-L528 HydrophobicContact CD1-CD2 4.5Å; L525-L528 WeakPolarHBondContact O-CB 3.09Å; L525-L528 PolarHBondContact O-N 3.45Å; P526-L528 VanDerWaalsContact C-N 3.33Å
529	D	94.1	Very high	92.5	Very high	28 Å²	28	40.6 Å²	40.6	15%	0.15	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.4	177.5	172	33.7	0	0	0	108.7	Y393 R519 C520 F531 R532	Y393-D529 PolarHBondContact OH-N 2.65Å; Y393-D529 PolarHBondContact OH-O 3.08Å; R519-D529 WeakPolarHBondContact CA-OD1 3.35Å; C520-D529 PolarHBondContact N-OD1 3.32Å; D529-F531 PolarHBondContact O-N 3.37Å; D529-F531 PolarHBondContact OD1-N 3.07Å; D529-R532 HydrophobicContact CB-CB 4.46Å; D529-R532 WeakPolarHBondContact O-CB 3.41Å; D529-R532 PolarHBondContact O-N 2.92Å; D529-R532 VanDerWaalsContact O-N 3.17Å; D529-R532 PolarHBondContact OD2-N 3.37Å
530	I	93	Very high	92.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-18.9	-177	73.2	-177.2	0	0	0	112	L12 Y476 D477 T480 C520 H522 R532	L12-I530 HydrophobicContact CD2-CB 4.01Å; L12-I530 WeakPolarHBondContact CD2-O 3.39Å; Y476-I530 HydrophobicContact CD1-CG2 4.38Å; Y476-I530 HydrophobicContact CE1-CG2 3.98Å; D477-I530 HydrophobicContact CB-CD1 4.06Å; D477-I530 VanDerWaalsContact OD1-CD1 3.32Å; D477-I530 WeakPolarHBondContact OD1-CD1 3.41Å; T480-I530 HydrophobicContact CG2-CD1 3.98Å; C520-I530 HydrophobicContact CB-CD1 4.06Å; C520-I530 HydrophobicContact CB-CG1 3.73Å; C520-I530 WeakPolarHBondContact O-CG1 3.39Å; C520-I530 PolarHBondContact O-N 3.42Å; C520-I530 VanDerWaalsContact SG-CD1 3.53Å; H522-I530 HydrophobicContact CB-CG2 3.76Å; I530-R532 VanDerWaalsContact C-N 3.3Å
531	F	92.8	Very high	92.3	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.013	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-0.3	175.2	-76.9	-1.9	0	0	0	113.4	I473 D477 L511 C514 L515 C520 D529 G533 Y534 M539	I473-F531 HydrophobicContact CD1-CE1 3.61Å; I473-F531 HydrophobicContact CD1-CZ 3.64Å; D477-F531 HydrophobicContact CB-CE1 4.02Å; L511-F531 HydrophobicContact CD1-CZ 4.2Å; C514-F531 HydrophobicContact CB-CE2 3.76Å; C514-F531 HydrophobicContact CB-CZ 4.43Å; L515-F531 HydrophobicContact CD2-CE2 3.76Å; L515-F531 HydrophobicContact CD2-CZ 3.9Å; L515-F531 HydrophobicContact CG-CE2 3.96Å; L515-F531 HydrophobicContact CG-CZ 4.15Å; C520-F531 HydrophobicContact CB-CD1 4.04Å; C520-F531 HydrophobicContact CB-CD2 3.7Å; C520-F531 HydrophobicContact CB-CE1 4.08Å; C520-F531 HydrophobicContact CB-CE2 3.75Å; C520-F531 HydrophobicContact CB-CG 3.86Å; C520-F531 HydrophobicContact CB-CZ 3.94Å; D529-F531 PolarHBondContact O-N 3.37Å; D529-F531 PolarHBondContact OD1-N 3.07Å; F531-G533 PolarHBondContact O-N 3.24Å; F531-Y534 HydrophobicContact CB-CD2 4.41Å; F531-Y534 AromaticContact CD1-CD2 3.71Å; F531-Y534 HydrophobicContact CD1-CD2 3.71Å; F531-Y534 AromaticContact CD1-CE2 3.51Å; F531-Y534 HydrophobicContact CD1-CE2 3.51Å; F531-Y534 HydrophobicContact CE1-CD2 4.29Å; F531-Y534 AromaticContact CE1-CE2 3.88Å; F531-Y534 HydrophobicContact CE1-CE2 3.88Å; F531-Y534 HydrophobicContact CG-CD2 4.21Å; F531-Y534 HydrophobicContact CG-CE2 4.43Å; F531-Y534 WeakPolarHBondContact O-CB 3.43Å; F531-Y534 PolarHBondContact O-N 3.06Å; F531-M539 HydrophobicContact CB-CE 3.52Å; F531-M539 HydrophobicContact CD2-CE 3.77Å; F531-M539 HydrophobicContact CG-CE 3.83Å
532	R	90.1	Very high	92.2	Very high	115 Å²	115	38.4 Å²	38.4	43%	0.434	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	124.7	175.7	-175.4	71.3	-173.9	-174.3	3.9	110.3	V392 Y393 D396 D529 I530	V392-R532 HydrophobicContact CB-CG 4.35Å; V392-R532 HydrophobicContact CG1-CG 3.87Å; Y393-R532 HydrophobicContact CE1-CG 4.17Å; Y393-R532 HydrophobicContact CE2-CB 4.17Å; Y393-R532 HydrophobicContact CE2-CG 3.99Å; D396-R532 IonicContact OD2-NH2 3.81Å; D529-R532 HydrophobicContact CB-CB 4.46Å; D529-R532 WeakPolarHBondContact O-CB 3.41Å; D529-R532 PolarHBondContact O-N 2.92Å; D529-R532 VanDerWaalsContact O-N 3.17Å; D529-R532 PolarHBondContact OD2-N 3.37Å; I530-R532 VanDerWaalsContact C-N 3.3Å
533	G	85.7	Confident	92.1	Very high	50 Å²	50	38.9 Å²	38.9	52%	0.515	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	1.8	179.9	0	0	0	0	0	115	F531	F531-G533 PolarHBondContact O-N 3.24Å
534	Y	88.3	Confident	92.1	Very high	33 Å²	33	45 Å²	45	13%	0.129	24%	0.244	C	C	.	.			trans	-72.6	149	170.8	-73.3	19.1	0	0	0	110	V472 D477 F531	V472-Y534 HydrophobicContact CG1-CD2 4.17Å; V472-Y534 VanDerWaalsContact O-CD2 3.31Å; V472-Y534 WeakPolarHBondContact O-CD2 3.3Å; V472-Y534 WeakPolarHBondContact O-CE2 3.32Å; D477-Y534 PolarHBondContact OD1-OH 3.06Å; D477-Y534 PolarHBondContact OD2-OH 3.23Å; F531-Y534 HydrophobicContact CB-CD2 4.41Å; F531-Y534 AromaticContact CD1-CD2 3.71Å; F531-Y534 HydrophobicContact CD1-CD2 3.71Å; F531-Y534 AromaticContact CD1-CE2 3.51Å; F531-Y534 HydrophobicContact CD1-CE2 3.51Å; F531-Y534 HydrophobicContact CE1-CD2 4.29Å; F531-Y534 AromaticContact CE1-CE2 3.88Å; F531-Y534 HydrophobicContact CE1-CE2 3.88Å; F531-Y534 HydrophobicContact CG-CD2 4.21Å; F531-Y534 HydrophobicContact CG-CE2 4.43Å; F531-Y534 WeakPolarHBondContact O-CB 3.43Å; F531-Y534 PolarHBondContact O-N 3.06Å
535	S	88.9	Confident	92	Very high	28 Å²	28	46 Å²	46	20%	0.196	25%	0.249	C	C	.	.			trans	-73.8	128.6	177.7	176.3	0	0	0	0	110.2	L537 G538 M539	S535-L537 PolarHBondContact O-N 3.22Å; S535-G538 WeakPolarHBondContact O-CA 3.26Å; S535-G538 PolarHBondContact O-N 3.27Å; S535-M539 WeakPolarHBondContact O-CG 3.5Å; S535-M539 PolarHBondContact O-N 2.82Å
536	T	90.7	Very high	92.1	Very high	89 Å²	89	45.6 Å²	45.6	55%	0.546	25%	0.247	S	C	.	.	H	α-helix	trans	-54.5	-52.2	176.6	48.7	0	0	0	0	111.7	R518 G538 M539 D540	R518-T536 PolarHBondContact NH1-O 3.33Å; T536-G538 PolarHBondContact O-N 3.49Å; T536-M539 WeakPolarHBondContact O-CB 3.24Å; T536-M539 PolarHBondContact O-N 2.8Å; T536-D540 PolarHBondContact O-N 2.97Å
537	L	91	Very high	92.3	Very high	114 Å²	114	50.1 Å²	50.1	60%	0.597	26%	0.259	S	S	*	.	H	α-helix	trans	-54.4	-41.7	175.2	177.7	61.3	0	0	0	112.3	S535 D540 I541	S535-L537 PolarHBondContact O-N 3.22Å; L537-D540 PolarHBondContact O-N 3.04Å; L537-I541 HydrophobicContact CD1-CD1 4.08Å; L537-I541 HydrophobicContact CD1-CG1 4.41Å; L537-I541 HydrophobicContact CG-CD1 4.01Å; L537-I541 VanDerWaalsContact O-CG1 3.31Å; L537-I541 WeakPolarHBondContact O-CG1 3.31Å; L537-I541 PolarHBondContact O-N 2.87Å
538	G	90.1	Very high	92.5	Very high	8 Å²	8	50.5 Å²	50.5	8%	0.082	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-47.1	175	0	0	0	0	0	112.3	S535 T536 D540 I541 T542	S535-G538 WeakPolarHBondContact O-CA 3.26Å; S535-G538 PolarHBondContact O-N 3.27Å; T536-G538 PolarHBondContact O-N 3.49Å; G538-D540 VanDerWaalsContact C-N 3.33Å; G538-D540 PolarHBondContact O-N 2.96Å; G538-I541 PolarHBondContact O-N 3.44Å; G538-T542 PolarHBondContact O-N 3.37Å; G538-T542 PolarHBondContact O-OG1 2.96Å; G538-T542 VanDerWaalsContact O-OG1 3.08Å
539	M	92.3	Very high	92.6	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.02	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-39.5	177.6	-65	156.5	129.3	0	0	112.3	V472 L515 R518 F531 S535 T536 T542 A543	V472-M539 HydrophobicContact CG1-CG 4.2Å; L515-M539 HydrophobicContact CD2-CB 3.85Å; L515-M539 HydrophobicContact CD2-CG 3.91Å; R518-M539 HydrophobicContact CB-CE 4.35Å; F531-M539 HydrophobicContact CB-CE 3.52Å; F531-M539 HydrophobicContact CD2-CE 3.77Å; F531-M539 HydrophobicContact CG-CE 3.83Å; S535-M539 WeakPolarHBondContact O-CG 3.5Å; S535-M539 PolarHBondContact O-N 2.82Å; T536-M539 WeakPolarHBondContact O-CB 3.24Å; T536-M539 PolarHBondContact O-N 2.8Å; M539-T542 PolarHBondContact O-N 3.28Å; M539-A543 VanDerWaalsContact O-CB 3.29Å; M539-A543 WeakPolarHBondContact O-CB 3.48Å; M539-A543 PolarHBondContact O-N 3.36Å
540	D	92.9	Very high	92.7	Very high	57 Å²	57	49.2 Å²	49.2	31%	0.305	24%	0.242	S	C	.	.	H	α-helix	trans	-65.3	-42.5	177.3	-72.7	-62.3	0	0	0	112.4	R518 T536 L537 G538 K544	R518-D540 IonicContact CZ-OD1 3.5Å; R518-D540 IonicContact CZ-OD2 3.28Å; R518-D540 VanDerWaalsContact CZ-OD2 3.28Å; R518-D540 IonicContact NH1-OD1 3.63Å; R518-D540 IonicContact NH1-OD2 2.81Å; R518-D540 PolarHBondContact NH1-OD2 2.93Å; R518-D540 IonicContact NH2-OD1 2.76Å; R518-D540 PolarHBondContact NH2-OD1 3.02Å; R518-D540 IonicContact NH2-OD2 2.84Å; R518-D540 PolarHBondContact NH2-OD2 3.46Å; T536-D540 PolarHBondContact O-N 2.97Å; L537-D540 PolarHBondContact O-N 3.04Å; G538-D540 VanDerWaalsContact C-N 3.33Å; G538-D540 PolarHBondContact O-N 2.96Å; D540-K544 VanDerWaalsContact O-CG 3.31Å; D540-K544 WeakPolarHBondContact O-CG 3.32Å; D540-K544 PolarHBondContact O-N 3.04Å; D540-K544 VanDerWaalsContact O-N 3.11Å
541	I	92.6	Very high	92.8	Very high	57 Å²	57	55.7 Å²	55.7	29%	0.292	27%	0.266	S	S	.	.	H	α-helix	trans	-62.2	-46.8	174.5	-67.8	165.7	0	0	0	109.7	L537 G538 K544 Q545	L537-I541 HydrophobicContact CD1-CD1 4.08Å; L537-I541 HydrophobicContact CD1-CG1 4.41Å; L537-I541 HydrophobicContact CG-CD1 4.01Å; L537-I541 VanDerWaalsContact O-CG1 3.31Å; L537-I541 WeakPolarHBondContact O-CG1 3.31Å; L537-I541 PolarHBondContact O-N 2.87Å; G538-I541 PolarHBondContact O-N 3.44Å; I541-K544 PolarHBondContact O-N 2.81Å; I541-Q545 WeakPolarHBondContact O-CG 3.32Å; I541-Q545 PolarHBondContact O-N 2.99Å
542	T	93.4	Very high	92.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-71.1	-32.5	-178.3	-54.6	0	0	0	0	112.8	L439 V472 I473 L515 G538 M539 Q545 A546	L439-T542 HydrophobicContact CB-CG2 4.06Å; V472-T542 WeakPolarHBondContact CB-OG1 3.29Å; I473-T542 HydrophobicContact CB-CG2 4.48Å; I473-T542 HydrophobicContact CG1-CG2 3.68Å; L515-T542 HydrophobicContact CD1-CG2 4.03Å; G538-T542 PolarHBondContact O-N 3.37Å; G538-T542 PolarHBondContact O-OG1 2.96Å; G538-T542 VanDerWaalsContact O-OG1 3.08Å; M539-T542 PolarHBondContact O-N 3.28Å; T542-Q545 PolarHBondContact O-N 2.92Å; T542-A546 WeakPolarHBondContact O-CB 3.29Å; T542-A546 PolarHBondContact O-N 3.5Å
543	A	95.1	Very high	92.9	Very high	9 Å²	9	53.2 Å²	53.2	7%	0.074	26%	0.26	C	S	.	.	H	α-helix	trans	-62.9	-43.4	171.8	0	0	0	0	0	111.1	L515 M539 A546 W547	L515-A543 HydrophobicContact CB-CB 3.92Å; L515-A543 HydrophobicContact CD1-CB 4.24Å; M539-A543 VanDerWaalsContact O-CB 3.29Å; M539-A543 WeakPolarHBondContact O-CB 3.48Å; M539-A543 PolarHBondContact O-N 3.36Å; A543-A546 PolarHBondContact O-N 3.26Å; A543-W547 WeakPolarHBondContact O-CB 3.41Å; A543-W547 PolarHBondContact O-N 2.79Å
544	K	95.5	Very high	93.1	Very high	137 Å²	137	55.9 Å²	55.9	60%	0.596	26%	0.262	S	S	*	.	H	α-helix	trans	-63.2	-39.3	174	-71.7	167.4	-179.9	174.5	0	112.1	D540 I541 R548	D540-K544 VanDerWaalsContact O-CG 3.31Å; D540-K544 WeakPolarHBondContact O-CG 3.32Å; D540-K544 PolarHBondContact O-N 3.04Å; D540-K544 VanDerWaalsContact O-N 3.11Å; I541-K544 PolarHBondContact O-N 2.81Å; K544-R548 VanDerWaalsContact O-CG 3.29Å; K544-R548 WeakPolarHBondContact O-CG 3.45Å; K544-R548 PolarHBondContact O-N 2.95Å; K544-R548 VanDerWaalsContact O-N 3.09Å
545	Q	95	Very high	93.2	Very high	22 Å²	22	59.4 Å²	59.4	10%	0.103	29%	0.287	C	S	.	.	H	α-helix	trans	-66.6	-47.2	175.5	-72.9	171	-11.3	0	0	111.6	H438 L439 G441 H443 I541 T542 W547 R548 L549	H438-Q545 PolarHBondContact O-OE1 3.19Å; L439-Q545 HydrophobicContact CD2-CB 3.89Å; G441-Q545 VanDerWaalsContact N-OE1 3.12Å; H443-Q545 PolarHBondContact O-NE2 3.29Å; I541-Q545 WeakPolarHBondContact O-CG 3.32Å; I541-Q545 PolarHBondContact O-N 2.99Å; T542-Q545 PolarHBondContact O-N 2.92Å; Q545-W547 PolarHBondContact O-N 3.3Å; Q545-R548 PolarHBondContact O-N 3.27Å; Q545-L549 PolarHBondContact O-N 3.43Å
546	A	96	Very high	93.2	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.5	-39.8	177.2	0	0	0	0	0	112.3	L439 L511 I512 T542 A543 L549 L550	L439-A546 HydrophobicContact CD1-CB 4.48Å; L439-A546 HydrophobicContact CD2-CB 3.94Å; L511-A546 HydrophobicContact CD2-CB 4.31Å; I512-A546 HydrophobicContact CD1-CB 4.14Å; I512-A546 HydrophobicContact CG1-CB 3.61Å; T542-A546 WeakPolarHBondContact O-CB 3.29Å; T542-A546 PolarHBondContact O-N 3.5Å; A543-A546 PolarHBondContact O-N 3.26Å; A546-L549 PolarHBondContact O-N 3.48Å; A546-L550 WeakPolarHBondContact O-CB 3.46Å; A546-L550 PolarHBondContact O-N 3.07Å
547	W	96.8	Very high	92.9	Very high	136 Å²	136	57.4 Å²	57.4	52%	0.515	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-40.8	174.1	178.7	-101.6	0	0	0	112.8	I512 A543 Q545 R551	I512-W547 HydrophobicContact CD1-CB 4.07Å; I512-W547 HydrophobicContact CD1-CE3 4.09Å; A543-W547 WeakPolarHBondContact O-CB 3.41Å; A543-W547 PolarHBondContact O-N 2.79Å; Q545-W547 PolarHBondContact O-N 3.3Å; W547-R551 VanDerWaalsContact O-CB 3.28Å; W547-R551 WeakPolarHBondContact O-CB 3.22Å; W547-R551 PolarHBondContact O-N 3.28Å
548	R	95.6	Very high	92.7	Very high	160 Å²	160	57.2 Å²	57.2	60%	0.604	27%	0.271	S	S	*	.	H	α-helix	trans	-60.8	-48.3	174.2	-75.4	172.1	-178.6	-176.3	0.9	111.1	K544 Q545 R551 E552	K544-R548 VanDerWaalsContact O-CG 3.29Å; K544-R548 WeakPolarHBondContact O-CG 3.45Å; K544-R548 PolarHBondContact O-N 2.95Å; K544-R548 VanDerWaalsContact O-N 3.09Å; Q545-R548 PolarHBondContact O-N 3.27Å; R548-R551 PolarHBondContact O-N 3.26Å; R548-E552 WeakPolarHBondContact O-CB 3.31Å; R548-E552 PolarHBondContact O-N 3.31Å
549	L	94.8	Very high	92.6	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-48.7	177.3	175.9	65	0	0	0	112.1	L434 H438 L439 L508 Q545 A546 R551 E552 L553 L563	L434-L549 HydrophobicContact CB-CD2 4.18Å; L434-L549 HydrophobicContact CD2-CD1 4.36Å; H438-L549 HydrophobicContact CB-CD2 4.36Å; L439-L549 HydrophobicContact CD2-CD2 4.39Å; L508-L549 HydrophobicContact CD1-CD2 4.49Å; L508-L549 HydrophobicContact CD2-CD2 4.28Å; Q545-L549 PolarHBondContact O-N 3.43Å; A546-L549 PolarHBondContact O-N 3.48Å; L549-R551 PolarHBondContact O-N 3.16Å; L549-E552 PolarHBondContact O-N 2.59Å; L549-L553 HydrophobicContact CD1-CD1 4.22Å; L549-L553 HydrophobicContact CD1-CG 4.37Å; L549-L553 HydrophobicContact CG-CD1 4.18Å; L549-L553 WeakPolarHBondContact O-CG 3.46Å; L549-L553 PolarHBondContact O-N 2.88Å; L549-L563 HydrophobicContact CD1-CD1 3.83Å; L549-L563 HydrophobicContact CD1-CD2 3.9Å; L549-L563 HydrophobicContact CD1-CG 4.49Å
550	L	95.5	Very high	92.5	Very high	6 Å²	6	56.7 Å²	56.7	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-46.7	178.1	175.1	58.8	0	0	0	111.5	N505 L508 L509 I512 A546 E552 L553 L554	N505-L550 HydrophobicContact CB-CD1 3.97Å; L508-L550 HydrophobicContact CB-CB 4.27Å; L508-L550 HydrophobicContact CB-CD1 4.08Å; L508-L550 HydrophobicContact CB-CD2 4.37Å; L508-L550 HydrophobicContact CB-CG 4.47Å; L508-L550 HydrophobicContact CD1-CB 4.38Å; L508-L550 HydrophobicContact CD1-CD1 4.28Å; L509-L550 HydrophobicContact CB-CD2 4.08Å; L509-L550 HydrophobicContact CD1-CD2 4.2Å; I512-L550 HydrophobicContact CD1-CB 4.3Å; I512-L550 HydrophobicContact CD1-CD2 3.79Å; A546-L550 WeakPolarHBondContact O-CB 3.46Å; A546-L550 PolarHBondContact O-N 3.07Å; L550-E552 VanDerWaalsContact C-N 3.3Å; L550-E552 PolarHBondContact O-N 3.42Å; L550-L553 PolarHBondContact O-N 2.94Å; L550-L554 HydrophobicContact CD1-CD1 3.82Å; L550-L554 HydrophobicContact CD1-CG 4Å; L550-L554 HydrophobicContact CG-CD1 3.86Å; L550-L554 HydrophobicContact CG-CG 4.45Å; L550-L554 WeakPolarHBondContact O-CB 3.38Å; L550-L554 VanDerWaalsContact O-CG 3.29Å; L550-L554 WeakPolarHBondContact O-CG 3.29Å; L550-L554 PolarHBondContact O-N 3.28Å
551	R	95.4	Very high	92.3	Very high	137 Å²	137	58.8 Å²	58.8	52%	0.517	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-39.6	177.6	-175.2	-178.9	66.1	-174.2	2.3	111.8	W547 R548 L549 L554 T555	W547-R551 VanDerWaalsContact O-CB 3.28Å; W547-R551 WeakPolarHBondContact O-CB 3.22Å; W547-R551 PolarHBondContact O-N 3.28Å; R548-R551 PolarHBondContact O-N 3.26Å; L549-R551 PolarHBondContact O-N 3.16Å; R551-L554 PolarHBondContact O-N 3.3Å; R551-T555 HydrophobicContact CG-CG2 4.27Å; R551-T555 WeakPolarHBondContact O-CB 3.32Å; R551-T555 VanDerWaalsContact O-CG2 3.25Å; R551-T555 WeakPolarHBondContact O-CG2 3.49Å; R551-T555 PolarHBondContact O-N 2.95Å; R551-T555 PolarHBondContact O-OG1 3.37Å
552	E	93	Very high	92.1	Very high	61 Å²	61	62.3 Å²	62.3	29%	0.285	29%	0.285	S	S	.	.	H	α-helix	trans	-63.9	-46.6	176.2	-179.6	159.3	-143.3	0	0	111.8	R548 L549 L550 L554 T555 C556 A559 Y562	R548-E552 WeakPolarHBondContact O-CB 3.31Å; R548-E552 PolarHBondContact O-N 3.31Å; L549-E552 PolarHBondContact O-N 2.59Å; L550-E552 VanDerWaalsContact C-N 3.3Å; L550-E552 PolarHBondContact O-N 3.42Å; E552-L554 PolarHBondContact O-N 2.9Å; E552-T555 PolarHBondContact O-N 3.43Å; E552-T555 PolarHBondContact O-OG1 2.96Å; E552-C556 PolarHBondContact O-N 3.42Å; E552-A559 HydrophobicContact CG-CB 3.53Å; E552-Y562 WeakPolarHBondContact OE1-CE2 3.44Å; E552-Y562 VanDerWaalsContact OE1-CZ 3.31Å; E552-Y562 PolarHBondContact OE1-OH 2.84Å
553	L	91.6	Very high	91.8	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-62.2	-37.6	175.1	-68.4	172.1	0	0	0	113.5	L434 L508 L549 L550 L560 L563	L434-L553 HydrophobicContact CD1-CD1 4.34Å; L508-L553 HydrophobicContact CD1-CD1 3.69Å; L549-L553 HydrophobicContact CD1-CD1 4.22Å; L549-L553 HydrophobicContact CD1-CG 4.37Å; L549-L553 HydrophobicContact CG-CD1 4.18Å; L549-L553 WeakPolarHBondContact O-CG 3.46Å; L549-L553 PolarHBondContact O-N 2.88Å; L550-L553 PolarHBondContact O-N 2.94Å; L553-L560 HydrophobicContact CD2-CD1 4.18Å; L553-L560 HydrophobicContact CD2-CD2 3.59Å; L553-L560 HydrophobicContact CD2-CG 3.59Å; L553-L563 HydrophobicContact CD2-CD1 3.67Å; L553-L563 HydrophobicContact CG-CD1 4.27Å
554	L	90.5	Very high	91.6	Very high	106 Å²	106	65.2 Å²	65.2	56%	0.555	30%	0.297	S	S	*	.	H	α-helix	trans	-73.4	-36.4	177.9	-72.5	171.1	0	0	0	113.2	N505 L550 R551 E552	N505-L554 HydrophobicContact CB-CD2 4.38Å; N505-L554 WeakPolarHBondContact ND2-CD2 3.39Å; L550-L554 HydrophobicContact CD1-CD1 3.82Å; L550-L554 HydrophobicContact CD1-CG 4Å; L550-L554 HydrophobicContact CG-CD1 3.86Å; L550-L554 HydrophobicContact CG-CG 4.45Å; L550-L554 WeakPolarHBondContact O-CB 3.38Å; L550-L554 VanDerWaalsContact O-CG 3.29Å; L550-L554 WeakPolarHBondContact O-CG 3.29Å; L550-L554 PolarHBondContact O-N 3.28Å; R551-L554 PolarHBondContact O-N 3.3Å; E552-L554 PolarHBondContact O-N 2.9Å
555	T	90.4	Very high	91.4	Very high	107 Å²	107	61.4 Å²	61.4	66%	0.656	28%	0.281	S	S	*	.	H	α-helix	trans	-85	-31.6	-177.6	51.3	0	0	0	0	112.9	R551 E552	R551-T555 HydrophobicContact CG-CG2 4.27Å; R551-T555 WeakPolarHBondContact O-CB 3.32Å; R551-T555 VanDerWaalsContact O-CG2 3.25Å; R551-T555 WeakPolarHBondContact O-CG2 3.49Å; R551-T555 PolarHBondContact O-N 2.95Å; R551-T555 PolarHBondContact O-OG1 3.37Å; E552-T555 PolarHBondContact O-N 3.43Å; E552-T555 PolarHBondContact O-OG1 2.96Å
556	C	89.3	Confident	91.2	Very high	42 Å²	42	63.6 Å²	63.6	28%	0.284	29%	0.291	S	S	.	.			trans	-145.8	90.8	-174	-170.8	0	0	0	0	110.9	E552 Q558 A559	E552-C556 PolarHBondContact O-N 3.42Å; C556-Q558 PolarHBondContact O-N 2.94Å; C556-Q558 VanDerWaalsContact O-N 3.07Å; C556-A559 WeakPolarHBondContact O-CB 3.19Å; C556-A559 PolarHBondContact O-N 3.41Å
557	P	83.6	Confident	90.9	Very high	34 Å²	34	67.4 Å²	67.4	22%	0.221	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-56	-25.8	176.1	-30.1	37.9	0	0	0	114.6	I98 Y101 A559	I98-P557 HydrophobicContact CB-CB 4.07Å; I98-P557 HydrophobicContact CB-CG 4.43Å; I98-P557 HydrophobicContact CG1-CB 4.09Å; Y101-P557 WeakPolarHBondContact CB-O 3.15Å; Y101-P557 HydrophobicContact CD2-CB 3.93Å; Y101-P557 WeakPolarHBondContact CD2-O 3.17Å; Y101-P557 HydrophobicContact CE2-CB 4.39Å; P557-A559 PolarHBondContact O-N 3.48Å
558	Q	88.3	Confident	90.6	Very high	109 Å²	109	63.1 Å²	63.1	51%	0.509	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-62.3	-18.8	172.6	-79.1	170.3	-20.4	0	0	113.6	Y101 C556 L560 E561	Y101-Q558 HydrophobicContact CD2-CG 4.45Å; Y101-Q558 HydrophobicContact CE1-CG 3.81Å; Y101-Q558 HydrophobicContact CE2-CG 3.64Å; Y101-Q558 WeakPolarHBondContact OH-CG 3.44Å; Y101-Q558 PolarHBondContact OH-NE2 2.68Å; Y101-Q558 VanDerWaalsContact OH-NE2 3.16Å; C556-Q558 PolarHBondContact O-N 2.94Å; C556-Q558 VanDerWaalsContact O-N 3.07Å; Q558-L560 PolarHBondContact O-N 3.31Å; Q558-L560 VanDerWaalsContact O-N 3.12Å; Q558-E561 WeakPolarHBondContact O-CB 3.29Å; Q558-E561 PolarHBondContact O-N 2.96Å
559	A	88.1	Confident	90.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-56.4	-32	179.8	0	0	0	0	0	113.1	E552 C556 P557 E561 Y562 L563	E552-A559 HydrophobicContact CG-CB 3.53Å; C556-A559 WeakPolarHBondContact O-CB 3.19Å; C556-A559 PolarHBondContact O-N 3.41Å; P557-A559 PolarHBondContact O-N 3.48Å; A559-E561 PolarHBondContact O-N 3.09Å; A559-Y562 VanDerWaalsContact CA-CE1 3.49Å; A559-Y562 HydrophobicContact CB-CE1 4.11Å; A559-Y562 HydrophobicContact CB-CE2 4.05Å; A559-Y562 WeakPolarHBondContact CB-OH 3.25Å; A559-Y562 WeakPolarHBondContact O-CD2 3.35Å; A559-Y562 PolarHBondContact O-N 3.11Å; A559-L563 HydrophobicContact CB-CD1 3.78Å; A559-L563 HydrophobicContact CB-CG 4.19Å; A559-L563 WeakPolarHBondContact O-CB 3.34Å; A559-L563 VanDerWaalsContact O-CG 3.24Å; A559-L563 WeakPolarHBondContact O-CG 3.29Å; A559-L563 PolarHBondContact O-N 2.81Å
560	L	88.8	Confident	89.9	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.01	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-55.5	-18.6	174.4	-74.5	165.9	0	0	0	114.3	I98 L102 F105 L434 L553 Q558	I98-L560 HydrophobicContact CG1-CD1 4.34Å; L102-L560 HydrophobicContact CB-CD1 4.49Å; L102-L560 HydrophobicContact CD2-CD1 3.59Å; L102-L560 HydrophobicContact CD2-CD2 4.18Å; L102-L560 HydrophobicContact CG-CD1 3.71Å; F105-L560 HydrophobicContact CB-CB 4.31Å; F105-L560 HydrophobicContact CB-CD2 4.16Å; F105-L560 HydrophobicContact CD2-CD2 3.96Å; F105-L560 WeakPolarHBondContact CD2-O 3.46Å; F105-L560 HydrophobicContact CG-CD2 3.99Å; L434-L560 HydrophobicContact CD2-CD2 4.48Å; L553-L560 HydrophobicContact CD2-CD1 4.18Å; L553-L560 HydrophobicContact CD2-CD2 3.59Å; L553-L560 HydrophobicContact CD2-CG 3.59Å; Q558-L560 PolarHBondContact O-N 3.31Å; Q558-L560 VanDerWaalsContact O-N 3.12Å
561	E	88.7	Confident	89.5	Confident	100 Å²	100	64.5 Å²	64.5	47%	0.467	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-72.6	-33.6	174.5	-62.8	-154.7	141.4	0	0	113.2	Y101 R109 Q558 A559	Y101-E561 HydrophobicContact CD1-CG 3.82Å; Y101-E561 HydrophobicContact CE1-CG 4.15Å; R109-E561 PolarHBondContact NH2-O 2.9Å; Q558-E561 WeakPolarHBondContact O-CB 3.29Å; Q558-E561 PolarHBondContact O-N 2.96Å; A559-E561 PolarHBondContact O-N 3.09Å
562	Y	88.1	Confident	89	Confident	131 Å²	131	58.4 Å²	58.4	51%	0.514	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-33	179.6	57.9	-106.4	0	0	0	113.4	R109 E552 A559	R109-Y562 PolarHBondContact NH1-O 2.78Å; R109-Y562 PolarHBondContact NH2-O 2.76Å; E552-Y562 WeakPolarHBondContact OE1-CE2 3.44Å; E552-Y562 VanDerWaalsContact OE1-CZ 3.31Å; E552-Y562 PolarHBondContact OE1-OH 2.84Å; A559-Y562 VanDerWaalsContact CA-CE1 3.49Å; A559-Y562 HydrophobicContact CB-CE1 4.11Å; A559-Y562 HydrophobicContact CB-CE2 4.05Å; A559-Y562 WeakPolarHBondContact CB-OH 3.25Å; A559-Y562 WeakPolarHBondContact O-CD2 3.35Å; A559-Y562 PolarHBondContact O-N 3.11Å
563	L	87.5	Confident	88.6	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	30%	0.297	C	S	.	.			trans	-53.2	0	176.6	-73.5	174.1	0	0	0	114.4	F105 R109 L434 R437 H438 L549 L553 A559	F105-L563 WeakPolarHBondContact CE2-O 3.28Å; R109-L563 PolarHBondContact NH1-O 3.01Å; L434-L563 HydrophobicContact CD2-CB 4.46Å; R437-L563 PolarHBondContact NE-OXT 2.85Å; R437-L563 VanDerWaalsContact NH2-C 3.33Å; R437-L563 PolarHBondContact NH2-OXT 2.79Å; H438-L563 VanDerWaalsContact CE1-CD2 3.43Å; H438-L563 WeakPolarHBondContact CE1-CD2 3.36Å; H438-L563 PolarHBondContact CE1-OXT 3.45Å; H438-L563 WeakPolarHBondContact NE2-CD2 3.31Å; H438-L563 PolarHBondContact NE2-OXT 3.31Å; L549-L563 HydrophobicContact CD1-CD1 3.83Å; L549-L563 HydrophobicContact CD1-CD2 3.9Å; L549-L563 HydrophobicContact CD1-CG 4.49Å; L553-L563 HydrophobicContact CD2-CD1 3.67Å; L553-L563 HydrophobicContact CG-CD1 4.27Å; A559-L563 HydrophobicContact CB-CD1 3.78Å; A559-L563 HydrophobicContact CB-CG 4.19Å; A559-L563 WeakPolarHBondContact O-CB 3.34Å; A559-L563 VanDerWaalsContact O-CG 3.24Å; A559-L563 WeakPolarHBondContact O-CG 3.29Å; A559-L563 PolarHBondContact O-N 2.81Å

Retrieved 563 of 563 residues in 1030.1 ms (Link to these results)

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