G4VMQ5_SCHMA Loading...

Trimethylguanosine synthase

AlphaFold DB , UniProt , Accession G4VMQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 430 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.4	Very low	29.9	Very low	235 Å²	235	127.8 Å²	127.8	100%	1.158	66%	0.664	S	S	*	*				0	90.5	0	-171.7	-176.1	-90.5	0	0	105.4	A3	M1-A3 PolarHBondContact O-N 3.25Å
2	F	25.5	Very low	30.4	Very low	181 Å²	181	120.6 Å²	120.6	79%	0.794	63%	0.632	S	S	*	*			trans	-81.9	103.3	-171.5	-65.9	-79.3	0	0	0	109.2	L4	F2-L4 PolarHBondContact O-N 2.91Å
3	A	23.1	Very low	29.9	Very low	77 Å²	77	122.3 Å²	122.3	64%	0.636	64%	0.641	S	S	*	*			trans	-90.5	90.2	168.9	0	0	0	0	0	108.1	M1 H5	M1-A3 PolarHBondContact O-N 3.25Å; A3-H5 PolarHBondContact O-N 3.29Å; A3-H5 PolarHBondContact O-ND1 3.07Å
4	L	27.9	Very low	30.1	Very low	155 Å²	155	117.9 Å²	117.9	81%	0.812	63%	0.626	S	S	*	*			trans	-61.4	102.6	163.1	-80	161.1	0	0	0	107	F2 S6	F2-L4 PolarHBondContact O-N 2.91Å; L4-S6 PolarHBondContact O-N 3.33Å
5	H	25.4	Very low	30	Very low	170 Å²	170	120.1 Å²	120.1	79%	0.787	64%	0.638	S	S	*	*			trans	-68.7	100.7	170.3	-83.1	64.5	0	0	0	107.6	A3 R7	A3-H5 PolarHBondContact O-N 3.29Å; A3-H5 PolarHBondContact O-ND1 3.07Å; H5-R7 PolarHBondContact O-N 2.87Å
6	S	32	Very low	30	Very low	94 Å²	94	121.4 Å²	121.4	66%	0.657	65%	0.652	S	S	*	*			trans	-73.3	96.1	166.5	71.9	0	0	0	0	107.7	L4	L4-S6 PolarHBondContact O-N 3.33Å
7	R	31.3	Very low	30.1	Very low	151 Å²	151	120.1 Å²	120.1	57%	0.57	65%	0.654	S	S	*	*			trans	-66.3	136.4	160	-78.1	-174.2	171.5	174.4	-1.3	107.9	H5 E426	H5-R7 PolarHBondContact O-N 2.87Å; R7-E426 IonicContact CZ-OE1 3.56Å; R7-E426 VanDerWaalsContact CZ-OE1 3.32Å; R7-E426 IonicContact CZ-OE2 2.74Å; R7-E426 IonicContact NH1-OE1 2.75Å; R7-E426 PolarHBondContact NH1-OE1 3.12Å; R7-E426 IonicContact NH1-OE2 2.62Å; R7-E426 IonicContact NH2-OE1 3.36Å; R7-E426 PolarHBondContact NH2-OE1 3.27Å; R7-E426 IonicContact NH2-OE2 3.5Å; R7-E426 PolarHBondContact NH2-OE2 3.1Å
8	D	35.8	Very low	30.1	Very low	127 Å²	127	119.3 Å²	119.3	68%	0.679	66%	0.659	S	S	*	*			trans	49.9	70.7	167.8	-52	-32.1	0	0	0	115	I10	D8-I10 VanDerWaalsContact C-N 3.34Å; D8-I10 PolarHBondContact O-N 3.04Å
9	V	32.2	Very low	30.4	Very low	91 Å²	91	117.2 Å²	117.2	55%	0.552	65%	0.653	S	S	*	*			trans	-59.9	105.6	157.5	178.6	0	0	0	0	106.5	D11	V9-D11 HydrophobicContact CG1-CB 4.45Å; V9-D11 PolarHBondContact O-N 2.91Å
10	I	34.4	Very low	30.4	Very low	45 Å²	45	116.6 Å²	116.6	23%	0.231	65%	0.649	C	S	.	*			trans	-66.6	78.8	170.5	-56.8	168.8	0	0	0	106.8	D8 S12 H106	D8-I10 VanDerWaalsContact C-N 3.34Å; D8-I10 PolarHBondContact O-N 3.04Å; I10-S12 VanDerWaalsContact C-N 3.28Å; I10-S12 PolarHBondContact O-N 2.84Å; I10-H106 HydrophobicContact CD1-CB 3.65Å
11	D	32.2	Very low	30.6	Very low	80 Å²	80	117.7 Å²	117.7	43%	0.428	65%	0.653	S	S	.	*			trans	-87.3	79.5	164.7	-162.3	16.6	0	0	0	107.1	V9 L13	V9-D11 HydrophobicContact CG1-CB 4.45Å; V9-D11 PolarHBondContact O-N 2.91Å; D11-L13 PolarHBondContact O-N 2.78Å; D11-L13 WeakPolarHBondContact OD2-CD2 3.42Å
12	S	35.3	Very low	30.9	Very low	41 Å²	41	115.6 Å²	115.6	29%	0.287	64%	0.641	S	S	.	*			trans	-67.2	85.2	166.2	65.3	0	0	0	0	107.3	I10 S14	I10-S12 VanDerWaalsContact C-N 3.28Å; I10-S12 PolarHBondContact O-N 2.84Å; S12-S14 PolarHBondContact O-N 2.8Å
13	L	24.9	Very low	31.3	Very low	143 Å²	143	113.4 Å²	113.4	75%	0.749	64%	0.637	S	S	*	*			trans	-66.8	72.1	170.7	-69.7	173	0	0	0	109.2	D11	D11-L13 PolarHBondContact O-N 2.78Å; D11-L13 WeakPolarHBondContact OD2-CD2 3.42Å
14	S	31.5	Very low	31.6	Very low	60 Å²	60	119 Å²	119	42%	0.42	65%	0.65	S	S	.	*			trans	-92.6	100.3	160.3	63.8	0	0	0	0	107.5	S12	S12-S14 PolarHBondContact O-N 2.8Å
15	D	29.2	Very low	31.9	Very low	151 Å²	151	117.8 Å²	117.8	81%	0.807	64%	0.643	S	S	*	*			trans	34.6	113.7	162.5	-65.6	-27.3	0	0	0	119	S17	D15-S17 PolarHBondContact O-N 3.09Å
16	V	29.6	Very low	32.1	Very low	142 Å²	142	115.4 Å²	115.4	86%	0.861	64%	0.641	S	S	*	*			trans	-58.5	94.9	174.1	-159.4	0	0	0	0	110.2
17	S	31.7	Very low	31.9	Very low	98 Å²	98	121.4 Å²	121.4	69%	0.685	66%	0.655	S	S	*	*			trans	-104.1	87.7	153	76.5	0	0	0	0	108.4	D15 S19	D15-S17 PolarHBondContact O-N 3.09Å; S17-S19 PolarHBondContact O-N 2.8Å; S17-S19 VanDerWaalsContact O-N 3.14Å
18	S	31.3	Very low	31.9	Very low	107 Å²	107	119.3 Å²	119.3	75%	0.748	66%	0.663	S	S	*	*			trans	-62.2	105.5	164.9	56.9	0	0	0	0	109
19	S	34.8	Very low	31.6	Very low	78 Å²	78	123.4 Å²	123.4	55%	0.545	68%	0.675	S	S	.	*			trans	-174.2	72.4	155.1	38.5	0	0	0	0	108	S17 D21	S17-S19 PolarHBondContact O-N 2.8Å; S17-S19 VanDerWaalsContact O-N 3.14Å; S19-D21 PolarHBondContact O-N 2.82Å
20	D	31	Very low	31.4	Very low	106 Å²	106	125.4 Å²	125.4	57%	0.567	69%	0.687	S	S	*	*			trans	-86.5	70.6	152.7	-77.9	-12.8	0	0	0	106.6	R410	D20-R410 IonicContact OD2-CZ 3.24Å; D20-R410 IonicContact OD2-NH1 3.71Å; D20-R410 PolarHBondContact OD2-NH1 3.45Å; D20-R410 IonicContact OD2-NH2 3.89Å; D20-R410 PolarHBondContact OD2-NH2 3.35Å
21	D	34.5	Very low	31.2	Very low	140 Å²	140	128.1 Å²	128.1	75%	0.749	71%	0.71	S	S	*	*			trans	-120.6	115.3	164.8	-74.4	-48.9	0	0	0	107.6	S19 D23	S19-D21 PolarHBondContact O-N 2.82Å; D21-D23 PolarHBondContact O-N 2.83Å
22	E	34.8	Very low	31.3	Very low	190 Å²	190	129.4 Å²	129.4	89%	0.888	73%	0.725	S	S	*	*			trans	-71.3	97.4	177.2	-64.3	-123.6	147.8	0	0	109.1
23	D	33.8	Very low	31.5	Very low	136 Å²	136	132.7 Å²	132.7	73%	0.727	75%	0.746	S	S	*	*			trans	-103.7	89.1	163.5	-79.5	-35.8	0	0	0	109.3	D21 I25	D21-D23 PolarHBondContact O-N 2.83Å; D23-I25 VanDerWaalsContact C-N 3.26Å; D23-I25 HydrophobicContact CB-CD1 4.22Å; D23-I25 HydrophobicContact CB-CG1 4.26Å; D23-I25 PolarHBondContact O-N 3.09Å
24	E	31.3	Very low	31.9	Very low	193 Å²	193	133.3 Å²	133.3	90%	0.902	75%	0.75	S	S	*	*			trans	-70.4	79.9	168.5	-158.9	-177.6	-158.2	0	0	109.1
25	I	32.4	Very low	32.2	Very low	131 Å²	131	135.7 Å²	135.7	67%	0.672	76%	0.758	S	S	*	*			trans	-107.8	101.5	179.4	-61	179.6	0	0	0	111.5	D23	D23-I25 VanDerWaalsContact C-N 3.26Å; D23-I25 HydrophobicContact CB-CD1 4.22Å; D23-I25 HydrophobicContact CB-CG1 4.26Å; D23-I25 PolarHBondContact O-N 3.09Å
26	T	29.8	Very low	32.2	Very low	119 Å²	119	138 Å²	138	73%	0.73	76%	0.764	S	S	*	*			trans	40.6	115.3	146.8	59.1	0	0	0	0	120.5	S28	T26-S28 PolarHBondContact O-N 3.03Å; T26-S28 VanDerWaalsContact O-N 3.09Å
27	K	28.4	Very low	32.2	Very low	221 Å²	221	139 Å²	139	96%	0.961	76%	0.762	S	S	*	*			trans	-43.7	106.9	164.2	-67.9	173.4	177.5	174.3	0	111.9
28	S	31.2	Very low	32.1	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	76%	0.764	S	S	*	*			trans	-103.5	120.6	161.8	48.6	0	0	0	0	109.7	T26 V30	T26-S28 PolarHBondContact O-N 3.03Å; T26-S28 VanDerWaalsContact O-N 3.09Å; S28-V30 PolarHBondContact O-N 3.37Å
29	K	29.2	Very low	31.9	Very low	214 Å²	214	140 Å²	140	93%	0.93	77%	0.769	S	S	*	*			trans	-54.9	123.8	171.3	-81.5	173.6	169.6	176.7	0	109.5
30	V	29	Very low	31.8	Very low	133 Å²	133	142.1 Å²	142.1	81%	0.806	78%	0.781	S	S	*	*			trans	-136.7	126.8	163	179.3	0	0	0	0	109.8	S28	S28-V30 PolarHBondContact O-N 3.37Å
31	S	30.4	Very low	31.9	Very low	101 Å²	101	142 Å²	142	71%	0.706	79%	0.788	S	S	*	*			trans	-66.8	150.3	176.8	47.3	0	0	0	0	113.2
32	S	33.2	Very low	31.9	Very low	107 Å²	107	143.6 Å²	143.6	75%	0.748	79%	0.791	S	S	*	*			trans	-53.9	145.6	170.4	48.2	0	0	0	0	112.9
33	P	40.7	Very low	31.9	Very low	111 Å²	111	145.7 Å²	145.7	72%	0.721	79%	0.791	S	S	*	*				-136.7	146.4	117.6	27	-9.7	0	0	0	113.2
34	D	33.1	Very low	32.2	Very low	155 Å²	155	149.6 Å²	149.6	83%	0.829	80%	0.802	S	S	*	*			trans	-60.4	126.8	174.2	-55	-57.9	0	0	0	110.9
35	D	36.1	Very low	32.8	Very low	110 Å²	110	144 Å²	144	59%	0.588	79%	0.789	S	S	*	*			trans	-130.6	102.3	165.8	-80.6	-30.3	0	0	0	108	K58	D35-K58 IonicContact OD2-NZ 2.73Å; D35-K58 PolarHBondContact OD2-NZ 3.26Å
36	E	29.2	Very low	33.4	Very low	199 Å²	199	144 Å²	144	93%	0.93	80%	0.797	S	S	*	*			trans	-61.4	129.2	166.7	-74	-179.2	149.9	0	0	110.2	A38	E36-A38 PolarHBondContact O-N 3.37Å
37	I	31.4	Very low	34.8	Very low	163 Å²	163	142.4 Å²	142.4	84%	0.836	79%	0.787	S	S	*	*			trans	-85.8	100.3	-179.7	-60.2	171.8	0	0	0	108.4
38	A	27.9	Very low	36.7	Very low	88 Å²	88	134.6 Å²	134.6	73%	0.727	76%	0.761	S	S	*	*			trans	-74.5	130.6	170.2	0	0	0	0	0	111.2	E36 P40	E36-A38 PolarHBondContact O-N 3.37Å; A38-P40 VanDerWaalsContact O-CD 3.3Å; A38-P40 WeakPolarHBondContact O-CD 3.41Å
39	V	28.1	Very low	37.9	Very low	138 Å²	138	135.9 Å²	135.9	84%	0.836	76%	0.758	S	S	*	*			trans	-80.5	114.6	178.1	-177.3	0	0	0	0	109.7
40	P	32	Very low	39.5	Very low	124 Å²	124	130.5 Å²	130.5	81%	0.805	74%	0.744	S	S	*	*			trans	-93.7	123.7	-177.9	0.1	20.5	0	0	0	111.6	A38	A38-P40 VanDerWaalsContact O-CD 3.3Å; A38-P40 WeakPolarHBondContact O-CD 3.41Å
41	S	33.8	Very low	41.1	Very low	103 Å²	103	129 Å²	129	72%	0.72	73%	0.728	S	S	*	*			trans	-82.2	141.2	163.6	59.8	0	0	0	0	111.2
42	Q	33.5	Very low	42.5	Very low	173 Å²	173	126.8 Å²	126.8	81%	0.808	71%	0.71	S	S	*	*	S	Bend	trans	95	123.6	158.6	-56.2	-176.1	-1.4	0	0	119.9
43	R	35.7	Very low	43.9	Very low	234 Å²	234	125.7 Å²	125.7	88%	0.883	70%	0.695	S	S	*	*			trans	65.4	105.8	155.2	-67.7	-178	-179.7	171.7	1.5	118	A45	R43-A45 PolarHBondContact O-N 3.09Å
44	F	40.8	Very low	44.9	Very low	218 Å²	218	130 Å²	130	96%	0.956	70%	0.697	S	S	*	*			trans	-61.5	90.8	175.5	-61	-83.9	0	0	0	112.4
45	A	43	Very low	46.1	Very low	76 Å²	76	128.9 Å²	128.9	63%	0.628	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-85	140.7	152.9	0	0	0	0	0	108.5	R43 V47	R43-A45 PolarHBondContact O-N 3.09Å; A45-V47 PolarHBondContact O-N 3.25Å; A45-V47 VanDerWaalsContact O-N 3.1Å
46	P	46.1	Very low	47.3	Very low	131 Å²	131	128.2 Å²	128.2	85%	0.851	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-61.4	116.9	-179.5	23.2	-31.1	0	0	0	110.1	S48	P46-S48 PolarHBondContact O-N 2.9Å
47	V	57.6	Low	48.8	Very low	85 Å²	85	123.7 Å²	123.7	52%	0.515	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-68.2	130.4	177.6	-178.9	0	0	0	0	108.5	A45 E51 V52	A45-V47 PolarHBondContact O-N 3.25Å; A45-V47 VanDerWaalsContact O-N 3.1Å; V47-E51 HydrophobicContact CG1-CB 3.87Å; V47-E51 HydrophobicContact CG1-CG 4.06Å; V47-V52 HydrophobicContact CB-CG2 4.31Å; V47-V52 HydrophobicContact CG1-CG2 3.82Å
48	S	68.2	Low	50	Low	58 Å²	58	121.5 Å²	121.5	41%	0.406	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-61.6	142.3	177.5	74	0	0	0	0	111.2	P46 T50 E51 V52	P46-S48 PolarHBondContact O-N 2.9Å; S48-T50 PolarHBondContact O-N 3.34Å; S48-T50 VanDerWaalsContact O-N 3.13Å; S48-T50 PolarHBondContact OG-OG1 3.46Å; S48-E51 PolarHBondContact O-N 3.44Å; S48-E51 PolarHBondContact OG-N 3.19Å; S48-V52 PolarHBondContact O-N 3.27Å
49	L	57.9	Low	51.5	Low	133 Å²	133	120.9 Å²	120.9	70%	0.696	63%	0.628	S	S	*	*	H	α-helix	trans	-53.2	-36.1	179	-128.8	164.1	0	0	0	111.7	E51 V52 L53	L49-E51 PolarHBondContact O-N 3.27Å; L49-V52 PolarHBondContact O-N 3.47Å; L49-L53 HydrophobicContact CD2-CD1 4.19Å; L49-L53 HydrophobicContact CD2-CG 4.27Å; L49-L53 WeakPolarHBondContact O-CB 3.39Å; L49-L53 VanDerWaalsContact O-CG 3.23Å; L49-L53 WeakPolarHBondContact O-CG 3.21Å; L49-L53 PolarHBondContact O-N 2.98Å
50	T	62.7	Low	53	Low	101 Å²	101	114.5 Å²	114.5	62%	0.62	59%	0.59	S	S	*	*	H	α-helix	trans	-64	-36.6	176.8	46.5	0	0	0	0	112.8	S48 L53 R54	S48-T50 PolarHBondContact O-N 3.34Å; S48-T50 VanDerWaalsContact O-N 3.13Å; S48-T50 PolarHBondContact OG-OG1 3.46Å; T50-L53 PolarHBondContact O-N 2.91Å; T50-R54 WeakPolarHBondContact O-CB 3.22Å; T50-R54 PolarHBondContact O-N 2.91Å
51	E	63	Low	54.1	Low	100 Å²	100	117.5 Å²	117.5	47%	0.467	59%	0.585	S	S	.	*	H	α-helix	trans	-75	-37.6	178.4	-173.4	148.4	-173.8	0	0	112.5	V47 S48 L49 L53 R54 K55	V47-E51 HydrophobicContact CG1-CB 3.87Å; V47-E51 HydrophobicContact CG1-CG 4.06Å; S48-E51 PolarHBondContact O-N 3.44Å; S48-E51 PolarHBondContact OG-N 3.19Å; L49-E51 PolarHBondContact O-N 3.27Å; E51-L53 VanDerWaalsContact C-N 3.32Å; E51-L53 PolarHBondContact O-N 3.43Å; E51-R54 PolarHBondContact O-N 3.4Å; E51-K55 PolarHBondContact O-N 3.04Å
52	V	59.7	Low	55.2	Low	55 Å²	55	116.6 Å²	116.6	33%	0.333	58%	0.575	S	S	.	*	H	α-helix	trans	-58.5	-46.5	169.7	178	0	0	0	0	110.3	V47 S48 L49 R54 K55 R56	V47-V52 HydrophobicContact CB-CG2 4.31Å; V47-V52 HydrophobicContact CG1-CG2 3.82Å; S48-V52 PolarHBondContact O-N 3.27Å; L49-V52 PolarHBondContact O-N 3.47Å; V52-R54 PolarHBondContact O-N 3.38Å; V52-K55 PolarHBondContact O-N 3.31Å; V52-R56 WeakPolarHBondContact O-CB 3.29Å; V52-R56 WeakPolarHBondContact O-CG 3.49Å; V52-R56 PolarHBondContact O-N 3.47Å
53	L	60.9	Low	56.2	Low	85 Å²	85	110.9 Å²	110.9	45%	0.445	55%	0.55	S	S	.	.	H	α-helix	trans	-63.7	-38.7	176.7	-69.4	173	0	0	0	112.2	L49 T50 E51 R56 N57	L49-L53 HydrophobicContact CD2-CD1 4.19Å; L49-L53 HydrophobicContact CD2-CG 4.27Å; L49-L53 WeakPolarHBondContact O-CB 3.39Å; L49-L53 VanDerWaalsContact O-CG 3.23Å; L49-L53 WeakPolarHBondContact O-CG 3.21Å; L49-L53 PolarHBondContact O-N 2.98Å; T50-L53 PolarHBondContact O-N 2.91Å; E51-L53 VanDerWaalsContact C-N 3.32Å; E51-L53 PolarHBondContact O-N 3.43Å; L53-R56 PolarHBondContact O-N 3.08Å; L53-N57 WeakPolarHBondContact O-CB 3.42Å; L53-N57 PolarHBondContact O-N 2.95Å; L53-N57 PolarHBondContact O-ND2 3.15Å
54	R	62.6	Low	57.2	Low	202 Å²	202	104.4 Å²	104.4	76%	0.762	53%	0.526	S	S	*	.	H	α-helix	trans	-66.7	-43.9	178.2	-156	-177.3	-154.7	141.6	2.7	111.9	T50 E51 V52 N57 K58	T50-R54 WeakPolarHBondContact O-CB 3.22Å; T50-R54 PolarHBondContact O-N 2.91Å; E51-R54 PolarHBondContact O-N 3.4Å; V52-R54 PolarHBondContact O-N 3.38Å; R54-N57 PolarHBondContact O-N 3.2Å; R54-K58 PolarHBondContact O-N 2.98Å
55	K	57.7	Low	57.7	Low	130 Å²	130	98.8 Å²	98.8	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-62.8	-45.7	174.3	-75.2	-175.7	-179.6	-179.4	0	111.2	E51 V52 N57 K58 V59	E51-K55 PolarHBondContact O-N 3.04Å; V52-K55 PolarHBondContact O-N 3.31Å; K55-N57 VanDerWaalsContact C-N 3.33Å; K55-N57 PolarHBondContact O-N 3.18Å; K55-K58 PolarHBondContact O-N 3Å; K55-K58 VanDerWaalsContact O-N 3.17Å; K55-V59 WeakPolarHBondContact O-CG2 3.35Å; K55-V59 PolarHBondContact O-N 2.87Å
56	R	61.4	Low	58.2	Low	96 Å²	96	97.5 Å²	97.5	36%	0.362	50%	0.5	S	S	.	.	H	α-helix	trans	-56.1	-44.9	173.8	-81.7	-178.9	160.1	161.6	-1.4	112.1	V52 L53 A60 Y78 D85	V52-R56 WeakPolarHBondContact O-CB 3.29Å; V52-R56 WeakPolarHBondContact O-CG 3.49Å; V52-R56 PolarHBondContact O-N 3.47Å; L53-R56 PolarHBondContact O-N 3.08Å; R56-A60 VanDerWaalsContact O-CB 3.28Å; R56-A60 WeakPolarHBondContact O-CB 3.4Å; R56-A60 PolarHBondContact O-N 2.93Å; R56-Y78 PolarHBondContact NE-OH 3.05Å; R56-Y78 PolarHBondContact NH2-OH 3.37Å; R56-D85 IonicContact CZ-OD2 3.69Å; R56-D85 IonicContact NE-OD2 3.84Å; R56-D85 IonicContact NH2-OD2 2.74Å; R56-D85 PolarHBondContact NH2-OD2 3.24Å
57	N	60.7	Low	58.8	Low	105 Å²	105	96.7 Å²	96.7	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-67.9	-35	177.6	-77.5	-22.6	0	0	0	113.2	L53 R54 K55 R61	L53-N57 WeakPolarHBondContact O-CB 3.42Å; L53-N57 PolarHBondContact O-N 2.95Å; L53-N57 PolarHBondContact O-ND2 3.15Å; R54-N57 PolarHBondContact O-N 3.2Å; K55-N57 VanDerWaalsContact C-N 3.33Å; K55-N57 PolarHBondContact O-N 3.18Å; N57-R61 WeakPolarHBondContact O-CB 3.16Å; N57-R61 PolarHBondContact O-N 3.3Å
58	K	57.2	Low	58.9	Low	116 Å²	116	98.4 Å²	98.4	50%	0.504	50%	0.498	S	S	.	.	H	α-helix	trans	-66.4	-48.3	176.1	-171.4	173.4	-178.1	175.5	0	111.1	D35 R54 K55 R61 V62	D35-K58 IonicContact OD2-NZ 2.73Å; D35-K58 PolarHBondContact OD2-NZ 3.26Å; R54-K58 PolarHBondContact O-N 2.98Å; K55-K58 PolarHBondContact O-N 3Å; K55-K58 VanDerWaalsContact O-N 3.17Å; K58-R61 PolarHBondContact O-N 2.64Å; K58-V62 WeakPolarHBondContact O-CG2 3.37Å; K58-V62 PolarHBondContact O-N 3.01Å
59	V	59.8	Low	58.8	Low	76 Å²	76	96.6 Å²	96.6	46%	0.461	48%	0.484	S	S	.	.	H	α-helix	trans	-61.4	-46.7	177.5	175.4	0	0	0	0	110.8	K55 R61 V62 L63 W74	K55-V59 WeakPolarHBondContact O-CG2 3.35Å; K55-V59 PolarHBondContact O-N 2.87Å; V59-R61 VanDerWaalsContact C-N 3.27Å; V59-R61 PolarHBondContact O-N 2.94Å; V59-V62 PolarHBondContact O-N 3.33Å; V59-L63 HydrophobicContact CG1-CD1 3.92Å; V59-L63 HydrophobicContact CG1-CG 4.43Å; V59-L63 WeakPolarHBondContact O-CG 3.3Å; V59-L63 PolarHBondContact O-N 3.27Å; V59-W74 HydrophobicContact CG1-CH2 3.8Å; V59-W74 HydrophobicContact CG1-CZ2 4.29Å
60	A	57.9	Low	59.4	Low	4 Å²	4	93.6 Å²	93.6	3%	0.033	47%	0.468	C	S	.	.	H	α-helix	trans	-55.3	-46	175.9	0	0	0	0	0	110.3	R56 V62 L63 Y64 W74	R56-A60 VanDerWaalsContact O-CB 3.28Å; R56-A60 WeakPolarHBondContact O-CB 3.4Å; R56-A60 PolarHBondContact O-N 2.93Å; A60-V62 PolarHBondContact O-N 2.92Å; A60-L63 PolarHBondContact O-N 3.45Å; A60-Y64 HydrophobicContact CB-CD2 4.02Å; A60-Y64 HydrophobicContact CB-CE2 3.37Å; A60-Y64 VanDerWaalsContact O-CB 3.3Å; A60-Y64 WeakPolarHBondContact O-CB 2.95Å; A60-Y64 WeakPolarHBondContact O-CD2 3.3Å; A60-Y64 WeakPolarHBondContact O-CE2 3.45Å; A60-Y64 PolarHBondContact O-N 3.2Å; A60-W74 HydrophobicContact CB-CZ2 4.04Å
61	R	56.4	Low	60.1	Low	186 Å²	186	92 Å²	92	70%	0.702	46%	0.459	S	S	*	.	H	α-helix	trans	-61.4	-39.4	178.3	-159.7	-179.8	-74.4	162.1	-6.4	114.4	N57 K58 V59 Y64 S65	N57-R61 WeakPolarHBondContact O-CB 3.16Å; N57-R61 PolarHBondContact O-N 3.3Å; K58-R61 PolarHBondContact O-N 2.64Å; V59-R61 VanDerWaalsContact C-N 3.27Å; V59-R61 PolarHBondContact O-N 2.94Å; R61-Y64 PolarHBondContact O-N 3.15Å; R61-S65 PolarHBondContact O-N 3.37Å
62	V	55.5	Low	61	Low	85 Å²	85	91.3 Å²	91.3	52%	0.515	46%	0.455	S	S	.	.	H	α-helix	trans	-68.8	-41.4	176.7	174.1	0	0	0	0	111.4	K58 V59 A60 S65 S66	K58-V62 WeakPolarHBondContact O-CG2 3.37Å; K58-V62 PolarHBondContact O-N 3.01Å; V59-V62 PolarHBondContact O-N 3.33Å; A60-V62 PolarHBondContact O-N 2.92Å; V62-S65 PolarHBondContact O-N 3.39Å; V62-S65 PolarHBondContact O-OG 3.33Å; V62-S66 PolarHBondContact O-OG 3.36Å
63	L	55.1	Low	62.2	Low	53 Å²	53	90.4 Å²	90.4	28%	0.277	45%	0.446	S	S	.	.	H	α-helix	trans	-67.8	-38.2	174.2	-66.7	174.3	0	0	0	111.4	V59 A60 S66 I69 W74	V59-L63 HydrophobicContact CG1-CD1 3.92Å; V59-L63 HydrophobicContact CG1-CG 4.43Å; V59-L63 WeakPolarHBondContact O-CG 3.3Å; V59-L63 PolarHBondContact O-N 3.27Å; A60-L63 PolarHBondContact O-N 3.45Å; L63-S66 PolarHBondContact O-N 3.37Å; L63-I69 HydrophobicContact CB-CD1 4.12Å; L63-I69 HydrophobicContact CD1-CD1 4.23Å; L63-I69 HydrophobicContact CD2-CD1 3.86Å; L63-I69 HydrophobicContact CG-CD1 4.28Å; L63-W74 HydrophobicContact CD1-CE3 3.69Å; L63-W74 HydrophobicContact CD1-CH2 3.57Å; L63-W74 HydrophobicContact CD1-CZ2 4.47Å; L63-W74 HydrophobicContact CD1-CZ3 3.11Å
64	Y	56.5	Low	63.4	Low	97 Å²	97	87.3 Å²	87.3	38%	0.38	43%	0.428	S	S	.	.	H	α-helix	trans	-62.2	-41.8	175	-69	-46.8	0	0	0	112.3	A60 R61 S66 S67 P71 W74	A60-Y64 HydrophobicContact CB-CD2 4.02Å; A60-Y64 HydrophobicContact CB-CE2 3.37Å; A60-Y64 VanDerWaalsContact O-CB 3.3Å; A60-Y64 WeakPolarHBondContact O-CB 2.95Å; A60-Y64 WeakPolarHBondContact O-CD2 3.3Å; A60-Y64 WeakPolarHBondContact O-CE2 3.45Å; A60-Y64 PolarHBondContact O-N 3.2Å; R61-Y64 PolarHBondContact O-N 3.15Å; Y64-S66 PolarHBondContact O-N 3.2Å; Y64-S67 PolarHBondContact O-N 2.69Å; Y64-P71 HydrophobicContact CD1-CG 4.2Å; Y64-P71 HydrophobicContact CE1-CB 3.96Å; Y64-P71 HydrophobicContact CE1-CG 3.97Å; Y64-W74 AromaticContact CZ-CD1 3.98Å; Y64-W74 VanDerWaalsContact OH-CD1 3.25Å
65	S	51.6	Low	64.7	Low	100 Å²	100	84.6 Å²	84.6	70%	0.699	42%	0.422	S	S	*	.	H	α-helix	trans	-68	-17.7	-179.2	67.3	0	0	0	0	113.1	R61 V62 S67	R61-S65 PolarHBondContact O-N 3.37Å; V62-S65 PolarHBondContact O-N 3.39Å; V62-S65 PolarHBondContact O-OG 3.33Å; S65-S67 VanDerWaalsContact C-N 3.32Å; S65-S67 PolarHBondContact O-N 3.41Å
66	S	53.6	Low	66.3	Low	49 Å²	49	82.5 Å²	82.5	34%	0.343	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-2.9	-175.6	-55.3	0	0	0	0	113.6	V62 L63 Y64 K68	V62-S66 PolarHBondContact O-OG 3.36Å; L63-S66 PolarHBondContact O-N 3.37Å; Y64-S66 PolarHBondContact O-N 3.2Å; S66-K68 WeakPolarHBondContact O-CG 3.33Å; S66-K68 PolarHBondContact O-N 3.39Å
67	S	58.8	Low	67.8	Low	115 Å²	115	79 Å²	79	80%	0.804	40%	0.397	S	S	*	.	S	Bend	trans	59.2	-6.9	-173.5	72.4	0	0	0	0	116.3	Y64 S65	Y64-S67 PolarHBondContact O-N 2.69Å; S65-S67 VanDerWaalsContact C-N 3.32Å; S65-S67 PolarHBondContact O-N 3.41Å
68	K	59.6	Low	69.5	Low	120 Å²	120	77.6 Å²	77.6	52%	0.522	38%	0.384	S	S	.	.	S	Bend	trans	-79.1	-24.2	-170	-74	170.2	179.2	-117.6	0	114.7	S66 E92	S66-K68 WeakPolarHBondContact O-CG 3.33Å; S66-K68 PolarHBondContact O-N 3.39Å; K68-E92 HydrophobicContact CB-CG 4.14Å; K68-E92 HydrophobicContact CD-CG 4.46Å; K68-E92 WeakPolarHBondContact CD-OE1 3.28Å; K68-E92 WeakPolarHBondContact CE-OE1 3.49Å; K68-E92 HydrophobicContact CG-CG 4.24Å; K68-E92 VanDerWaalsContact CG-OE1 3.24Å; K68-E92 WeakPolarHBondContact CG-OE1 3.45Å; K68-E92 IonicContact NZ-OE1 3.7Å; K68-E92 PolarHBondContact NZ-OE1 3.48Å
69	I	65.6	Low	71.3	Confident	20 Å²	20	73.1 Å²	73.1	10%	0.103	37%	0.366	C	S	.	.	S	Bend	trans	-128.8	117.1	-173	-56.9	167.5	0	0	0	109.6	L63 W74 W95	L63-I69 HydrophobicContact CB-CD1 4.12Å; L63-I69 HydrophobicContact CD1-CD1 4.23Å; L63-I69 HydrophobicContact CD2-CD1 3.86Å; L63-I69 HydrophobicContact CG-CD1 4.28Å; I69-W74 HydrophobicContact CG2-CB 4.46Å; I69-W95 HydrophobicContact CD1-CD2 4.49Å; I69-W95 HydrophobicContact CD1-CZ2 3.7Å; I69-W95 HydrophobicContact CG1-CD2 4.45Å; I69-W95 HydrophobicContact CG1-CG 4.37Å; I69-W95 HydrophobicContact CG1-CZ2 4.5Å; I69-W95 HydrophobicContact CG2-CD2 3.89Å; I69-W95 HydrophobicContact CG2-CE3 4.25Å; I69-W95 HydrophobicContact CG2-CG 4.19Å; I69-W95 HydrophobicContact CG2-CZ2 4.37Å
70	L	70.9	Confident	73	Confident	70 Å²	70	70.2 Å²	70.2	37%	0.366	35%	0.348	S	S	.	.			trans	-67.8	137.8	177.5	-64.4	179	0	0	0	110.6	K72 Y73 W74 P307	L70-K72 HydrophobicContact CB-CG 3.99Å; L70-K72 HydrophobicContact CD1-CD 4.4Å; L70-K72 PolarHBondContact O-N 2.88Å; L70-Y73 HydrophobicContact CB-CD2 3.78Å; L70-Y73 HydrophobicContact CB-CE2 4.08Å; L70-Y73 HydrophobicContact CD1-CD2 4.45Å; L70-Y73 HydrophobicContact CD1-CE2 3.89Å; L70-Y73 HydrophobicContact CG-CD2 4.43Å; L70-Y73 HydrophobicContact CG-CE2 4.32Å; L70-Y73 PolarHBondContact O-N 3.45Å; L70-W74 PolarHBondContact O-N 3.29Å; L70-P307 HydrophobicContact CD1-CB 3.96Å
71	P	78.1	Confident	74.9	Confident	67 Å²	67	70.1 Å²	70.1	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-52.9	-30.7	179.2	-28	34	0	0	0	114.6	Y64 Y73 W74 K75	Y64-P71 HydrophobicContact CD1-CG 4.2Å; Y64-P71 HydrophobicContact CE1-CB 3.96Å; Y64-P71 HydrophobicContact CE1-CG 3.97Å; P71-Y73 VanDerWaalsContact C-N 3.31Å; P71-Y73 PolarHBondContact O-N 3.09Å; P71-W74 PolarHBondContact O-N 2.97Å; P71-K75 WeakPolarHBondContact O-CG 3.09Å; P71-K75 PolarHBondContact O-N 3.23Å
72	K	81.5	Confident	76.8	Confident	86 Å²	86	68.2 Å²	68.2	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-60.4	-36.1	176.2	72.1	-175	-175	-173.4	0	113.1	L70 R76 P307	L70-K72 HydrophobicContact CB-CG 3.99Å; L70-K72 HydrophobicContact CD1-CD 4.4Å; L70-K72 PolarHBondContact O-N 2.88Å; K72-R76 WeakPolarHBondContact O-CG 3.46Å; K72-P307 PolarHBondContact NZ-O 3.18Å
73	Y	84.8	Confident	78.8	Confident	37 Å²	37	68.3 Å²	68.3	15%	0.145	34%	0.337	C	S	.	.	H	α-helix	trans	-81.4	-39.7	179.6	-60.3	-58.3	0	0	0	111.9	L70 P71 K75 R76 R77 W95 Y96	L70-Y73 HydrophobicContact CB-CD2 3.78Å; L70-Y73 HydrophobicContact CB-CE2 4.08Å; L70-Y73 HydrophobicContact CD1-CD2 4.45Å; L70-Y73 HydrophobicContact CD1-CE2 3.89Å; L70-Y73 HydrophobicContact CG-CD2 4.43Å; L70-Y73 HydrophobicContact CG-CE2 4.32Å; L70-Y73 PolarHBondContact O-N 3.45Å; P71-Y73 VanDerWaalsContact C-N 3.31Å; P71-Y73 PolarHBondContact O-N 3.09Å; Y73-K75 VanDerWaalsContact C-N 3.31Å; Y73-K75 PolarHBondContact O-N 3.02Å; Y73-R76 CarbonylContact O-C 3.55Å; Y73-R76 WeakPolarHBondContact O-CA 3.3Å; Y73-R76 PolarHBondContact O-N 3.3Å; Y73-R77 PolarHBondContact O-N 3.18Å; Y73-R77 VanDerWaalsContact O-N 3.11Å; Y73-W95 WeakPolarHBondContact CD1-O 3.28Å; Y73-W95 HydrophobicContact CD2-CB 4.29Å; Y73-W95 HydrophobicContact CG-CB 4.28Å; Y73-Y96 HydrophobicContact CE2-CD1 4.48Å; Y73-Y96 VanDerWaalsContact OH-CB 3.32Å; Y73-Y96 WeakPolarHBondContact OH-CB 3.34Å
74	W	87.2	Confident	80.7	Confident	20 Å²	20	67.1 Å²	67.1	8%	0.076	33%	0.329	C	S	.	.	H	α-helix	trans	-59.2	-41	177.2	179.8	-101.2	0	0	0	112.9	V59 A60 L63 Y64 I69 L70 P71 R76 R77 F84 W95	V59-W74 HydrophobicContact CG1-CH2 3.8Å; V59-W74 HydrophobicContact CG1-CZ2 4.29Å; A60-W74 HydrophobicContact CB-CZ2 4.04Å; L63-W74 HydrophobicContact CD1-CE3 3.69Å; L63-W74 HydrophobicContact CD1-CH2 3.57Å; L63-W74 HydrophobicContact CD1-CZ2 4.47Å; L63-W74 HydrophobicContact CD1-CZ3 3.11Å; Y64-W74 AromaticContact CZ-CD1 3.98Å; Y64-W74 VanDerWaalsContact OH-CD1 3.25Å; I69-W74 HydrophobicContact CG2-CB 4.46Å; L70-W74 PolarHBondContact O-N 3.29Å; P71-W74 PolarHBondContact O-N 2.97Å; W74-R76 PolarHBondContact O-N 3.01Å; W74-R77 WeakPolarHBondContact O-CD 3.36Å; W74-R77 WeakPolarHBondContact O-CG 3.15Å; W74-R77 PolarHBondContact O-N 3.06Å; W74-R77 PolarHBondContact O-NH1 2.89Å; W74-F84 HydrophobicContact CH2-CE1 4.1Å; W74-F84 HydrophobicContact CH2-CZ 4.48Å; W74-F84 AromaticContact CZ3-CE1 3.96Å; W74-F84 HydrophobicContact CZ3-CE1 3.96Å; W74-F84 AromaticContact CZ3-CZ 3.89Å; W74-F84 HydrophobicContact CZ3-CZ 3.89Å; W74-W95 AromaticContact CE3-CH2 3.69Å; W74-W95 HydrophobicContact CE3-CH2 3.69Å; W74-W95 HydrophobicContact CE3-CZ2 4.34Å; W74-W95 HydrophobicContact CE3-CZ3 4.38Å; W74-W95 AromaticContact CZ3-CH2 3.97Å; W74-W95 HydrophobicContact CZ3-CH2 3.97Å; W74-W95 HydrophobicContact CZ3-CZ2 4.47Å
75	K	89.3	Confident	82.6	Confident	144 Å²	144	67 Å²	67	63%	0.626	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-25	175	-72.2	-179.7	-178.1	-178.6	0	112.7	P71 Y73	P71-K75 WeakPolarHBondContact O-CG 3.09Å; P71-K75 PolarHBondContact O-N 3.23Å; Y73-K75 VanDerWaalsContact C-N 3.31Å; Y73-K75 PolarHBondContact O-N 3.02Å
76	R	90.1	Very high	84.8	Confident	86 Å²	86	67.7 Å²	67.7	33%	0.325	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	9.7	-177.6	-64.7	-177.5	-174.8	-168.4	0.1	113.8	K72 Y73 W74 Y78 D79 L80	K72-R76 WeakPolarHBondContact O-CG 3.46Å; Y73-R76 CarbonylContact O-C 3.55Å; Y73-R76 WeakPolarHBondContact O-CA 3.3Å; Y73-R76 PolarHBondContact O-N 3.3Å; W74-R76 PolarHBondContact O-N 3.01Å; R76-Y78 PolarHBondContact O-N 2.73Å; R76-Y78 VanDerWaalsContact O-N 3.07Å; R76-D79 HydrophobicContact CB-CB 4.4Å; R76-D79 WeakPolarHBondContact O-CA 3.49Å; R76-D79 VanDerWaalsContact O-CB 3.3Å; R76-D79 WeakPolarHBondContact O-CB 2.93Å; R76-D79 PolarHBondContact O-N 3.1Å; R76-L80 PolarHBondContact O-N 3Å
77	R	94.1	Very high	86.8	Confident	24 Å²	24	67 Å²	67	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-54	-33.5	-176.7	71.5	-168.4	179.2	-81.4	-1.4	114	Y73 W74 L80 F81 F84 W95	Y73-R77 PolarHBondContact O-N 3.18Å; Y73-R77 VanDerWaalsContact O-N 3.11Å; W74-R77 WeakPolarHBondContact O-CD 3.36Å; W74-R77 WeakPolarHBondContact O-CG 3.15Å; W74-R77 PolarHBondContact O-N 3.06Å; W74-R77 PolarHBondContact O-NH1 2.89Å; R77-L80 PolarHBondContact O-N 3.42Å; R77-F81 PolarHBondContact O-N 2.6Å; R77-F84 HydrophobicContact CB-CD1 4.3Å; R77-F84 HydrophobicContact CB-CD2 3.86Å; R77-F84 HydrophobicContact CB-CE2 4.09Å; R77-F84 HydrophobicContact CB-CG 3.98Å; R77-F84 HydrophobicContact CB-CZ 4.41Å; R77-F84 HydrophobicContact CG-CB 4.41Å; R77-F84 HydrophobicContact CG-CD1 3.97Å; R77-F84 HydrophobicContact CG-CD2 4.37Å; R77-F84 HydrophobicContact CG-CE1 4.39Å; R77-F84 HydrophobicContact CG-CG 3.97Å; R77-W95 HydrophobicContact CB-CH2 4.28Å; R77-W95 HydrophobicContact CB-CZ3 3.89Å
78	Y	95.9	Very high	88.6	Confident	74 Å²	74	62 Å²	62	29%	0.29	29%	0.293	S	S	.	.	H	α-helix	trans	-76.6	-20.3	175.8	-56.7	-62.4	0	0	0	114.1	R56 R76 L80 F81 E82 F84 D85	R56-Y78 PolarHBondContact NE-OH 3.05Å; R56-Y78 PolarHBondContact NH2-OH 3.37Å; R76-Y78 PolarHBondContact O-N 2.73Å; R76-Y78 VanDerWaalsContact O-N 3.07Å; Y78-L80 VanDerWaalsContact C-N 3.32Å; Y78-F81 WeakPolarHBondContact CA-O 3.05Å; Y78-F81 CarbonylContact O-C 3.56Å; Y78-E82 PolarHBondContact O-N 3.27Å; Y78-F84 HydrophobicContact CD1-CB 4.11Å; Y78-F84 HydrophobicContact CE1-CB 4.1Å; Y78-D85 PolarHBondContact OH-OD1 3.31Å; Y78-D85 PolarHBondContact OH-OD2 3.08Å
79	D	95	Very high	90.4	Very high	23 Å²	23	60.3 Å²	60.3	12%	0.123	29%	0.287	C	S	.	.	H	α-helix	trans	-74.7	-29.4	168.6	-58	-33	0	0	0	110.4	R76 P100 E101 L407 R408	R76-D79 HydrophobicContact CB-CB 4.4Å; R76-D79 WeakPolarHBondContact O-CA 3.49Å; R76-D79 VanDerWaalsContact O-CB 3.3Å; R76-D79 WeakPolarHBondContact O-CB 2.93Å; R76-D79 PolarHBondContact O-N 3.1Å; D79-P100 CarbonylContact O-C 3.39Å; D79-P100 VanDerWaalsContact O-CA 3.27Å; D79-P100 WeakPolarHBondContact O-CA 3.49Å; D79-P100 WeakPolarHBondContact O-CB 3.4Å; D79-E101 PolarHBondContact O-N 3.03Å; D79-L407 HydrophobicContact CB-CD2 4.07Å; D79-R408 VanDerWaalsContact CG-NH2 3.33Å; D79-R408 IonicContact OD1-CZ 3.12Å; D79-R408 IonicContact OD1-NE 3.99Å; D79-R408 IonicContact OD1-NH2 3.5Å; D79-R408 PolarHBondContact OD1-NH2 3.46Å; D79-R408 IonicContact OD2-CZ 3.53Å; D79-R408 IonicContact OD2-NE 2.9Å; D79-R408 PolarHBondContact OD2-NE 3.17Å; D79-R408 IonicContact OD2-NH2 2.74Å; D79-R408 PolarHBondContact OD2-NH2 2.94Å; D79-R408 VanDerWaalsContact OD2-NH2 3.12Å
80	L	95.5	Very high	91.8	Very high	15 Å²	15	60.7 Å²	60.7	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-78.5	-47.2	177.3	-56.9	-177.7	0	0	0	111.6	R76 R77 Y78 W95 I98	R76-L80 PolarHBondContact O-N 3Å; R77-L80 PolarHBondContact O-N 3.42Å; Y78-L80 VanDerWaalsContact C-N 3.32Å; L80-W95 HydrophobicContact CD1-CE3 4.01Å; L80-W95 HydrophobicContact CD1-CZ3 4.44Å; L80-I98 HydrophobicContact CD2-CG2 4.49Å
81	F	97.5	Very high	92.8	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.009	28%	0.281	C	S	.	.			trans	-143.3	116.9	173.5	-69.7	-88.1	0	0	0	110.2	R77 Y78 R83 F84 V88 L90 I98 E101 I128 Y157	R77-F81 PolarHBondContact O-N 2.6Å; Y78-F81 WeakPolarHBondContact CA-O 3.05Å; Y78-F81 CarbonylContact O-C 3.56Å; F81-R83 PolarHBondContact O-N 2.94Å; F81-F84 HydrophobicContact CB-CB 4.42Å; F81-F84 VanDerWaalsContact O-CB 3.31Å; F81-F84 WeakPolarHBondContact O-CB 3.41Å; F81-F84 PolarHBondContact O-N 3.39Å; F81-F84 VanDerWaalsContact O-N 3.07Å; F81-V88 HydrophobicContact CB-CG1 4.25Å; F81-V88 HydrophobicContact CB-CG2 4.12Å; F81-V88 HydrophobicContact CD1-CG1 4.13Å; F81-V88 HydrophobicContact CD1-CG2 4.33Å; F81-V88 HydrophobicContact CD2-CG1 3.63Å; F81-V88 HydrophobicContact CE1-CG1 4.38Å; F81-V88 HydrophobicContact CE2-CG1 3.9Å; F81-V88 HydrophobicContact CG-CG1 3.73Å; F81-V88 HydrophobicContact CG-CG2 4.22Å; F81-V88 HydrophobicContact CZ-CG1 4.27Å; F81-L90 HydrophobicContact CD2-CD2 4.09Å; F81-L90 HydrophobicContact CE2-CD2 3.56Å; F81-L90 HydrophobicContact CZ-CD2 4.48Å; F81-I98 HydrophobicContact CE2-CD1 3.48Å; F81-I98 VanDerWaalsContact CE2-CD1 3.48Å; F81-I98 HydrophobicContact CE2-CG2 4.16Å; F81-I98 HydrophobicContact CZ-CD1 4.01Å; F81-E101 WeakPolarHBondContact CA-OE2 3.35Å; F81-I128 HydrophobicContact CE1-CD1 4.07Å; F81-Y157 AromaticContact CD1-CE2 3.83Å; F81-Y157 HydrophobicContact CD1-CE2 3.83Å; F81-Y157 AromaticContact CD1-CZ 3.99Å; F81-Y157 HydrophobicContact CE1-CE2 4.48Å
82	E	96.7	Very high	93.4	Very high	146 Å²	146	60.6 Å²	60.6	68%	0.682	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-38.3	175.4	-172.7	-178.2	-178.6	0	0	110.8	Y78 F84 E101	Y78-E82 PolarHBondContact O-N 3.27Å; E82-F84 VanDerWaalsContact C-N 3.3Å; E82-F84 PolarHBondContact O-N 3.24Å; E82-E101 WeakPolarHBondContact CB-OE2 3.29Å; E82-E101 PolarHBondContact N-OE2 3.18Å
83	R	97	Very high	93.8	Very high	86 Å²	86	59.1 Å²	59.1	33%	0.325	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	24.1	178.9	-59.2	-171.4	179.9	-171.3	-0.1	114.2	F81 D85 E86 I156 Y157	F81-R83 PolarHBondContact O-N 2.94Å; R83-D85 PolarHBondContact O-N 3.32Å; R83-D85 VanDerWaalsContact O-N 3.11Å; R83-E86 HydrophobicContact CB-CB 4.37Å; R83-E86 HydrophobicContact CB-CG 4.22Å; R83-E86 WeakPolarHBondContact CB-OE1 3.4Å; R83-E86 WeakPolarHBondContact CD-OE1 3.23Å; R83-E86 VanDerWaalsContact CG-OE1 3.29Å; R83-E86 WeakPolarHBondContact CG-OE1 3.43Å; R83-E86 IonicContact NE-OE1 3.32Å; R83-E86 WeakPolarHBondContact O-CB 3.4Å; R83-E86 PolarHBondContact O-N 3.17Å; R83-I156 HydrophobicContact CB-CG2 4.17Å; R83-I156 PolarHBondContact NH1-O 2.9Å; R83-Y157 HydrophobicContact CB-CE2 4.03Å; R83-Y157 HydrophobicContact CG-CE1 4.15Å; R83-Y157 HydrophobicContact CG-CE2 4.44Å; R83-Y157 PolarHBondContact N-OH 2.86Å
84	F	95.5	Very high	94.2	Very high	28 Å²	28	57.3 Å²	57.3	12%	0.123	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-50.3	-41.9	-176.6	-175.9	-87.3	0	0	0	113.5	W74 R77 Y78 F81 E82 E86 G87 V88 L90 W95	W74-F84 HydrophobicContact CH2-CE1 4.1Å; W74-F84 HydrophobicContact CH2-CZ 4.48Å; W74-F84 AromaticContact CZ3-CE1 3.96Å; W74-F84 HydrophobicContact CZ3-CE1 3.96Å; W74-F84 AromaticContact CZ3-CZ 3.89Å; W74-F84 HydrophobicContact CZ3-CZ 3.89Å; R77-F84 HydrophobicContact CB-CD1 4.3Å; R77-F84 HydrophobicContact CB-CD2 3.86Å; R77-F84 HydrophobicContact CB-CE2 4.09Å; R77-F84 HydrophobicContact CB-CG 3.98Å; R77-F84 HydrophobicContact CB-CZ 4.41Å; R77-F84 HydrophobicContact CG-CB 4.41Å; R77-F84 HydrophobicContact CG-CD1 3.97Å; R77-F84 HydrophobicContact CG-CD2 4.37Å; R77-F84 HydrophobicContact CG-CE1 4.39Å; R77-F84 HydrophobicContact CG-CG 3.97Å; Y78-F84 HydrophobicContact CD1-CB 4.11Å; Y78-F84 HydrophobicContact CE1-CB 4.1Å; F81-F84 HydrophobicContact CB-CB 4.42Å; F81-F84 VanDerWaalsContact O-CB 3.31Å; F81-F84 WeakPolarHBondContact O-CB 3.41Å; F81-F84 PolarHBondContact O-N 3.39Å; F81-F84 VanDerWaalsContact O-N 3.07Å; E82-F84 VanDerWaalsContact C-N 3.3Å; E82-F84 PolarHBondContact O-N 3.24Å; F84-E86 PolarHBondContact O-N 2.95Å; F84-G87 PolarHBondContact O-N 3.19Å; F84-V88 HydrophobicContact CD2-CB 4.49Å; F84-L90 HydrophobicContact CD2-CD1 4.4Å; F84-L90 HydrophobicContact CE2-CD1 3.78Å; F84-L90 HydrophobicContact CE2-CG 4.47Å; F84-W95 AromaticContact CE2-CH2 3.53Å; F84-W95 HydrophobicContact CE2-CH2 3.53Å; F84-W95 HydrophobicContact CE2-CZ2 4.17Å; F84-W95 HydrophobicContact CE2-CZ3 4.21Å; F84-W95 AromaticContact CZ-CH2 3.58Å; F84-W95 HydrophobicContact CZ-CH2 3.58Å; F84-W95 HydrophobicContact CZ-CZ2 4.15Å
85	D	95.8	Very high	94.4	Very high	94 Å²	94	57.1 Å²	57.1	50%	0.503	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-70.8	-7.9	-177.6	-68.5	-12.8	0	0	0	113.4	R56 Y78 R83 G87	R56-D85 IonicContact CZ-OD2 3.69Å; R56-D85 IonicContact NE-OD2 3.84Å; R56-D85 IonicContact NH2-OD2 2.74Å; R56-D85 PolarHBondContact NH2-OD2 3.24Å; Y78-D85 PolarHBondContact OH-OD1 3.31Å; Y78-D85 PolarHBondContact OH-OD2 3.08Å; R83-D85 PolarHBondContact O-N 3.32Å; R83-D85 VanDerWaalsContact O-N 3.11Å; D85-G87 VanDerWaalsContact C-N 3.28Å; D85-G87 PolarHBondContact O-N 3.15Å
86	E	97.6	Very high	94.4	Very high	115 Å²	115	54 Å²	54	54%	0.537	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-86.2	5	177.3	-61.3	179.7	-140.3	0	0	113.3	R83 F84 I156	R83-E86 HydrophobicContact CB-CB 4.37Å; R83-E86 HydrophobicContact CB-CG 4.22Å; R83-E86 WeakPolarHBondContact CB-OE1 3.4Å; R83-E86 WeakPolarHBondContact CD-OE1 3.23Å; R83-E86 VanDerWaalsContact CG-OE1 3.29Å; R83-E86 WeakPolarHBondContact CG-OE1 3.43Å; R83-E86 IonicContact NE-OE1 3.32Å; R83-E86 WeakPolarHBondContact O-CB 3.4Å; R83-E86 PolarHBondContact O-N 3.17Å; F84-E86 PolarHBondContact O-N 2.95Å; E86-I156 HydrophobicContact CB-CG2 3.76Å
87	G	95.5	Very high	94.5	Very high	34 Å²	34	52.4 Å²	52.4	35%	0.351	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	104	24.6	173.5	0	0	0	0	0	114.8	F84 D85 Q89 I156	F84-G87 PolarHBondContact O-N 3.19Å; D85-G87 VanDerWaalsContact C-N 3.28Å; D85-G87 PolarHBondContact O-N 3.15Å; G87-Q89 PolarHBondContact O-N 3.22Å; G87-Q89 PolarHBondContact O-NE2 2.78Å; G87-I156 WeakPolarHBondContact O-CD1 3.05Å
88	V	97.2	Very high	94.5	Very high	12 Å²	12	52.2 Å²	52.2	7%	0.073	26%	0.256	C	S	.	.			trans	-54.7	132.8	174.2	172.1	0	0	0	0	110.3	F81 F84 L90 N153 I156 Y157	F81-V88 HydrophobicContact CB-CG1 4.25Å; F81-V88 HydrophobicContact CB-CG2 4.12Å; F81-V88 HydrophobicContact CD1-CG1 4.13Å; F81-V88 HydrophobicContact CD1-CG2 4.33Å; F81-V88 HydrophobicContact CD2-CG1 3.63Å; F81-V88 HydrophobicContact CE1-CG1 4.38Å; F81-V88 HydrophobicContact CE2-CG1 3.9Å; F81-V88 HydrophobicContact CG-CG1 3.73Å; F81-V88 HydrophobicContact CG-CG2 4.22Å; F81-V88 HydrophobicContact CZ-CG1 4.27Å; F84-V88 HydrophobicContact CD2-CB 4.49Å; V88-L90 HydrophobicContact CG1-CD2 4.1Å; V88-L90 HydrophobicContact CG1-CG 4.34Å; V88-N153 WeakPolarHBondContact CA-OD1 3.39Å; V88-I156 HydrophobicContact CG2-CD1 4.15Å; V88-Y157 HydrophobicContact CG2-CE2 4.44Å
89	Q	97.1	Very high	94.5	Very high	84 Å²	84	48.8 Å²	48.8	39%	0.393	24%	0.243	S	C	.	.			trans	-98.8	129.4	179.9	-58.3	-59.9	-52.2	0	0	110.6	G87 M149 I152 N153	G87-Q89 PolarHBondContact O-N 3.22Å; G87-Q89 PolarHBondContact O-NE2 2.78Å; Q89-M149 HydrophobicContact CB-CB 3.79Å; Q89-M149 HydrophobicContact CB-CG 3.71Å; Q89-M149 HydrophobicContact CB-SD 4.36Å; Q89-I152 HydrophobicContact CG-CB 4.3Å; Q89-I152 HydrophobicContact CG-CD1 4.08Å; Q89-I152 HydrophobicContact CG-CG2 3.94Å; Q89-N153 PolarHBondContact N-OD1 3.35Å; Q89-N153 PolarHBondContact O-ND2 2.9Å
90	L	94.7	Very high	94.6	Very high	27 Å²	27	48.1 Å²	48.1	14%	0.141	24%	0.24	C	C	.	.			trans	-133.2	136.9	176.2	-56.4	-179.8	0	0	0	109.3	F81 F84 V88 W95 I98 V123	F81-L90 HydrophobicContact CD2-CD2 4.09Å; F81-L90 HydrophobicContact CE2-CD2 3.56Å; F81-L90 HydrophobicContact CZ-CD2 4.48Å; F84-L90 HydrophobicContact CD2-CD1 4.4Å; F84-L90 HydrophobicContact CE2-CD1 3.78Å; F84-L90 HydrophobicContact CE2-CG 4.47Å; V88-L90 HydrophobicContact CG1-CD2 4.1Å; V88-L90 HydrophobicContact CG1-CG 4.34Å; L90-W95 HydrophobicContact CB-CZ2 4.48Å; L90-W95 HydrophobicContact CD1-CD2 3.84Å; L90-W95 HydrophobicContact CD1-CE3 3.86Å; L90-W95 HydrophobicContact CD1-CH2 3.82Å; L90-W95 HydrophobicContact CD1-CZ2 3.75Å; L90-W95 HydrophobicContact CD1-CZ3 3.86Å; L90-I98 HydrophobicContact CD2-CD1 3.49Å; L90-I98 VanDerWaalsContact CD2-CD1 3.49Å; L90-V123 HydrophobicContact CD2-CG2 3.79Å
91	D	92.6	Very high	94.7	Very high	37 Å²	37	48 Å²	48	20%	0.198	24%	0.239	C	C	.	.			trans	-86.3	-178.3	163.3	70.8	4.6	0	0	0	111.3	E93 S94 R146 M149	D91-E93 VanDerWaalsContact C-N 3.28Å; D91-E93 PolarHBondContact O-N 3.47Å; D91-E93 PolarHBondContact OD1-N 3Å; D91-S94 PolarHBondContact N-OG 2.97Å; D91-S94 WeakPolarHBondContact O-CB 3.34Å; D91-S94 PolarHBondContact O-N 3.09Å; D91-S94 WeakPolarHBondContact OD1-CB 3.44Å; D91-S94 PolarHBondContact OD1-N 3.43Å; D91-S94 PolarHBondContact OD1-OG 2.7Å; D91-R146 VanDerWaalsContact OD2-CD 3.3Å; D91-R146 WeakPolarHBondContact OD2-CD 3.27Å; D91-R146 WeakPolarHBondContact OD2-CG 3.38Å; D91-R146 IonicContact OD2-NE 3.51Å; D91-R146 PolarHBondContact OD2-NE 3.46Å; D91-M149 HydrophobicContact CB-CE 4.01Å; D91-M149 HydrophobicContact CB-SD 4.06Å
92	E	90.6	Very high	94.7	Very high	99 Å²	99	49.7 Å²	49.7	46%	0.463	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-36.5	-179.5	-65.8	178	-162.2	0	0	112.3	K68 Y96	K68-E92 HydrophobicContact CB-CG 4.14Å; K68-E92 HydrophobicContact CD-CG 4.46Å; K68-E92 WeakPolarHBondContact CD-OE1 3.28Å; K68-E92 WeakPolarHBondContact CE-OE1 3.49Å; K68-E92 HydrophobicContact CG-CG 4.24Å; K68-E92 VanDerWaalsContact CG-OE1 3.24Å; K68-E92 WeakPolarHBondContact CG-OE1 3.45Å; K68-E92 IonicContact NZ-OE1 3.7Å; K68-E92 PolarHBondContact NZ-OE1 3.48Å; E92-Y96 VanDerWaalsContact O-CE1 3.25Å; E92-Y96 WeakPolarHBondContact O-CE1 3.45Å
93	E	90.3	Very high	94.7	Very high	54 Å²	54	42.8 Å²	42.8	25%	0.252	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-39.7	-179.6	-175.8	174.4	-179.8	0	0	112.1	D91 W95 Y96 S97 R146	D91-E93 VanDerWaalsContact C-N 3.28Å; D91-E93 PolarHBondContact O-N 3.47Å; D91-E93 PolarHBondContact OD1-N 3Å; E93-W95 PolarHBondContact O-N 2.99Å; E93-W95 VanDerWaalsContact O-N 3.13Å; E93-Y96 VanDerWaalsContact CA-CZ 3.46Å; E93-Y96 HydrophobicContact CB-CE2 4.44Å; E93-Y96 HydrophobicContact CG-CE2 3.81Å; E93-Y96 WeakPolarHBondContact O-CD2 3.26Å; E93-Y96 PolarHBondContact O-N 3.43Å; E93-Y96 VanDerWaalsContact O-N 3.09Å; E93-S97 WeakPolarHBondContact O-CB 3.38Å; E93-S97 PolarHBondContact O-N 2.76Å; E93-S97 PolarHBondContact O-OG 2.75Å; E93-S97 VanDerWaalsContact O-OG 3.08Å; E93-R146 IonicContact OE1-NH2 2.8Å; E93-R146 IonicContact OE2-CZ 3.27Å; E93-R146 IonicContact OE2-NE 2.87Å; E93-R146 IonicContact OE2-NH2 3.68Å; E93-R146 PolarHBondContact OE2-NH2 2.87Å
94	S	92.8	Very high	94.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-55.7	-30.4	-178.7	-67.9	0	0	0	0	113.6	D91 Y96 S97 I98 V123	D91-S94 PolarHBondContact N-OG 2.97Å; D91-S94 WeakPolarHBondContact O-CB 3.34Å; D91-S94 PolarHBondContact O-N 3.09Å; D91-S94 WeakPolarHBondContact OD1-CB 3.44Å; D91-S94 PolarHBondContact OD1-N 3.43Å; D91-S94 PolarHBondContact OD1-OG 2.7Å; S94-Y96 PolarHBondContact O-N 3.05Å; S94-S97 WeakPolarHBondContact CA-OG 3.45Å; S94-I98 WeakPolarHBondContact O-CB 3.27Å; S94-I98 VanDerWaalsContact O-CD1 3.26Å; S94-I98 WeakPolarHBondContact O-CD1 3.34Å; S94-I98 WeakPolarHBondContact O-CG1 3.37Å; S94-I98 PolarHBondContact O-N 3.29Å; S94-V123 WeakPolarHBondContact OG-CG1 3.35Å; S94-V123 WeakPolarHBondContact OG-CG2 3.28Å
95	W	91.6	Very high	94.9	Very high	15 Å²	15	39 Å²	39	6%	0.057	21%	0.211	C	C	.	.	H	α-helix	trans	-63.3	-23.7	179.1	-75.4	101.6	0	0	0	114.2	I69 Y73 W74 R77 L80 F84 L90 E93	I69-W95 HydrophobicContact CD1-CD2 4.49Å; I69-W95 HydrophobicContact CD1-CZ2 3.7Å; I69-W95 HydrophobicContact CG1-CD2 4.45Å; I69-W95 HydrophobicContact CG1-CG 4.37Å; I69-W95 HydrophobicContact CG1-CZ2 4.5Å; I69-W95 HydrophobicContact CG2-CD2 3.89Å; I69-W95 HydrophobicContact CG2-CE3 4.25Å; I69-W95 HydrophobicContact CG2-CG 4.19Å; I69-W95 HydrophobicContact CG2-CZ2 4.37Å; Y73-W95 WeakPolarHBondContact CD1-O 3.28Å; Y73-W95 HydrophobicContact CD2-CB 4.29Å; Y73-W95 HydrophobicContact CG-CB 4.28Å; W74-W95 AromaticContact CE3-CH2 3.69Å; W74-W95 HydrophobicContact CE3-CH2 3.69Å; W74-W95 HydrophobicContact CE3-CZ2 4.34Å; W74-W95 HydrophobicContact CE3-CZ3 4.38Å; W74-W95 AromaticContact CZ3-CH2 3.97Å; W74-W95 HydrophobicContact CZ3-CH2 3.97Å; W74-W95 HydrophobicContact CZ3-CZ2 4.47Å; R77-W95 HydrophobicContact CB-CH2 4.28Å; R77-W95 HydrophobicContact CB-CZ3 3.89Å; L80-W95 HydrophobicContact CD1-CE3 4.01Å; L80-W95 HydrophobicContact CD1-CZ3 4.44Å; F84-W95 AromaticContact CE2-CH2 3.53Å; F84-W95 HydrophobicContact CE2-CH2 3.53Å; F84-W95 HydrophobicContact CE2-CZ2 4.17Å; F84-W95 HydrophobicContact CE2-CZ3 4.21Å; F84-W95 AromaticContact CZ-CH2 3.58Å; F84-W95 HydrophobicContact CZ-CH2 3.58Å; F84-W95 HydrophobicContact CZ-CZ2 4.15Å; L90-W95 HydrophobicContact CB-CZ2 4.48Å; L90-W95 HydrophobicContact CD1-CD2 3.84Å; L90-W95 HydrophobicContact CD1-CE3 3.86Å; L90-W95 HydrophobicContact CD1-CH2 3.82Å; L90-W95 HydrophobicContact CD1-CZ2 3.75Å; L90-W95 HydrophobicContact CD1-CZ3 3.86Å; E93-W95 PolarHBondContact O-N 2.99Å; E93-W95 VanDerWaalsContact O-N 3.13Å
96	Y	89.6	Confident	94.9	Very high	78 Å²	78	36 Å²	36	31%	0.306	19%	0.194	S	C	.	.	H	α-helix	trans	-125.1	-12.7	-177.3	58.5	-106.2	0	0	0	114.4	Y73 E92 E93 S94 G306 P307	Y73-Y96 HydrophobicContact CE2-CD1 4.48Å; Y73-Y96 VanDerWaalsContact OH-CB 3.32Å; Y73-Y96 WeakPolarHBondContact OH-CB 3.34Å; E92-Y96 VanDerWaalsContact O-CE1 3.25Å; E92-Y96 WeakPolarHBondContact O-CE1 3.45Å; E93-Y96 VanDerWaalsContact CA-CZ 3.46Å; E93-Y96 HydrophobicContact CB-CE2 4.44Å; E93-Y96 HydrophobicContact CG-CE2 3.81Å; E93-Y96 WeakPolarHBondContact O-CD2 3.26Å; E93-Y96 PolarHBondContact O-N 3.43Å; E93-Y96 VanDerWaalsContact O-N 3.09Å; S94-Y96 PolarHBondContact O-N 3.05Å; Y96-G306 VanDerWaalsContact CD2-CA 3.49Å; Y96-P307 HydrophobicContact CD1-CG 3.82Å; Y96-P307 HydrophobicContact CE1-CG 3.76Å; Y96-P307 HydrophobicContact CG-CG 4.47Å
97	S	92.7	Very high	94.9	Very high	53 Å²	53	30.5 Å²	30.5	37%	0.371	17%	0.168	S	C	.	.	H	α-helix	trans	-92.5	-21	179.5	66.2	0	0	0	0	113.6	E93 S94	E93-S97 WeakPolarHBondContact O-CB 3.38Å; E93-S97 PolarHBondContact O-N 2.76Å; E93-S97 PolarHBondContact O-OG 2.75Å; E93-S97 VanDerWaalsContact O-OG 3.08Å; S94-S97 WeakPolarHBondContact CA-OG 3.45Å
98	I	94	Very high	95	Very high	20 Å²	20	29 Å²	29	10%	0.103	15%	0.152	C	C	.	.	S	Bend	trans	-72.5	132.5	-175.8	-71	176.1	0	0	0	111.8	L80 F81 L90 S94 P100 V123	L80-I98 HydrophobicContact CD2-CG2 4.49Å; F81-I98 HydrophobicContact CE2-CD1 3.48Å; F81-I98 VanDerWaalsContact CE2-CD1 3.48Å; F81-I98 HydrophobicContact CE2-CG2 4.16Å; F81-I98 HydrophobicContact CZ-CD1 4.01Å; L90-I98 HydrophobicContact CD2-CD1 3.49Å; L90-I98 VanDerWaalsContact CD2-CD1 3.49Å; S94-I98 WeakPolarHBondContact O-CB 3.27Å; S94-I98 VanDerWaalsContact O-CD1 3.26Å; S94-I98 WeakPolarHBondContact O-CD1 3.34Å; S94-I98 WeakPolarHBondContact O-CG1 3.37Å; S94-I98 PolarHBondContact O-N 3.29Å; I98-P100 WeakPolarHBondContact O-CD 3.44Å; I98-V123 HydrophobicContact CD1-CG2 3.23Å; I98-V123 HydrophobicContact CG1-CG2 4.07Å
99	T	95.8	Very high	95	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-62.9	123.7	165	-55.4	0	0	0	0	109.3	E101 I103 A104 N126 Y365	T99-E101 PolarHBondContact O-N 2.93Å; T99-I103 HydrophobicContact CG2-CB 3.75Å; T99-I103 HydrophobicContact CG2-CG2 3.57Å; T99-A104 HydrophobicContact CG2-CB 4.18Å; T99-N126 WeakPolarHBondContact CB-OD1 3.35Å; T99-N126 WeakPolarHBondContact CG2-OD1 3.42Å; T99-N126 PolarHBondContact OG1-ND2 3.21Å; T99-N126 PolarHBondContact OG1-OD1 3.31Å; T99-Y365 HydrophobicContact CG2-CE2 3.9Å
100	P	96.4	Very high	94.8	Very high	10 Å²	10	33.1 Å²	33.1	7%	0.065	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-52.3	141.3	174.5	-28.2	36.2	0	0	0	112.3	D79 I98 A102 I103 A104 L407 L412	D79-P100 CarbonylContact O-C 3.39Å; D79-P100 VanDerWaalsContact O-CA 3.27Å; D79-P100 WeakPolarHBondContact O-CA 3.49Å; D79-P100 WeakPolarHBondContact O-CB 3.4Å; I98-P100 WeakPolarHBondContact O-CD 3.44Å; P100-A102 VanDerWaalsContact C-N 3.25Å; P100-A102 PolarHBondContact O-N 2.98Å; P100-A102 VanDerWaalsContact O-N 3.13Å; P100-I103 HydrophobicContact CB-CD1 4.38Å; P100-I103 HydrophobicContact CG-CD1 4.27Å; P100-I103 PolarHBondContact O-N 3.34Å; P100-A104 PolarHBondContact O-N 3.29Å; P100-L407 HydrophobicContact CB-CD2 3.83Å; P100-L407 HydrophobicContact CG-CD2 3.99Å; P100-L412 HydrophobicContact CG-CD1 3.76Å
101	E	98	Very high	94.9	Very high	11 Å²	11	31.9 Å²	31.9	5%	0.051	16%	0.164	C	C	.	.	H	α-helix	trans	-57.5	-37.2	-168.5	178.7	161.8	-174.1	0	0	112.5	D79 F81 E82 T99 I103 A104 C105 Q129 Y157	D79-E101 PolarHBondContact O-N 3.03Å; F81-E101 WeakPolarHBondContact CA-OE2 3.35Å; E82-E101 WeakPolarHBondContact CB-OE2 3.29Å; E82-E101 PolarHBondContact N-OE2 3.18Å; T99-E101 PolarHBondContact O-N 2.93Å; E101-I103 VanDerWaalsContact C-N 3.31Å; E101-I103 PolarHBondContact O-N 2.86Å; E101-A104 PolarHBondContact O-N 3.02Å; E101-C105 WeakPolarHBondContact O-CB 3.44Å; E101-C105 PolarHBondContact O-N 2.86Å; E101-C105 PolarHBondContact O-SG 3.3Å; E101-Q129 VanDerWaalsContact CD-NE2 3.33Å; E101-Q129 PolarHBondContact OE1-NE2 2.63Å; E101-Y157 WeakPolarHBondContact OE1-CE1 3.47Å; E101-Y157 PolarHBondContact OE1-OH 3.07Å; E101-Y157 PolarHBondContact OE2-OH 2.86Å
102	A	96.6	Very high	95.1	Very high	38 Å²	38	33.6 Å²	33.6	31%	0.314	18%	0.179	S	C	.	.	H	α-helix	trans	-60.9	-38.8	177.2	0	0	0	0	0	112.8	P100 H106 L407	P100-A102 VanDerWaalsContact C-N 3.25Å; P100-A102 PolarHBondContact O-N 2.98Å; P100-A102 VanDerWaalsContact O-N 3.13Å; A102-H106 PolarHBondContact O-N 2.65Å; A102-L407 HydrophobicContact CB-CD1 4.24Å
103	I	97.2	Very high	95.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-74.1	-43.2	177.1	-65.3	163.7	0	0	0	109.8	T99 P100 E101 C105 H106 Q107 Y365 Y405 L407 L412	T99-I103 HydrophobicContact CG2-CB 3.75Å; T99-I103 HydrophobicContact CG2-CG2 3.57Å; P100-I103 HydrophobicContact CB-CD1 4.38Å; P100-I103 HydrophobicContact CG-CD1 4.27Å; P100-I103 PolarHBondContact O-N 3.34Å; E101-I103 VanDerWaalsContact C-N 3.31Å; E101-I103 PolarHBondContact O-N 2.86Å; I103-C105 VanDerWaalsContact C-N 3.31Å; I103-C105 PolarHBondContact O-N 3.39Å; I103-H106 WeakPolarHBondContact O-CB 3.39Å; I103-H106 PolarHBondContact O-N 2.87Å; I103-H106 VanDerWaalsContact O-N 3.12Å; I103-Q107 HydrophobicContact CG2-CG 4.42Å; I103-Q107 WeakPolarHBondContact O-CG 2.86Å; I103-Q107 PolarHBondContact O-N 3.42Å; I103-Y365 HydrophobicContact CG2-CE2 4.04Å; I103-Y405 HydrophobicContact CG2-CD1 3.74Å; I103-Y405 HydrophobicContact CG2-CD2 4.02Å; I103-Y405 HydrophobicContact CG2-CE1 4.25Å; I103-Y405 HydrophobicContact CG2-CE2 4.46Å; I103-Y405 HydrophobicContact CG2-CG 3.62Å; I103-L407 HydrophobicContact CD1-CB 4.5Å; I103-L412 HydrophobicContact CD1-CD1 3.94Å
104	A	98.5	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.4	-41.5	175.9	0	0	0	0	0	111.9	T99 P100 E101 H106 Q107 A108 N126 Q129	T99-A104 HydrophobicContact CG2-CB 4.18Å; P100-A104 PolarHBondContact O-N 3.29Å; E101-A104 PolarHBondContact O-N 3.02Å; A104-H106 VanDerWaalsContact C-N 3.32Å; A104-H106 PolarHBondContact O-N 3.32Å; A104-Q107 PolarHBondContact O-N 3.49Å; A104-A108 WeakPolarHBondContact O-CB 3.33Å; A104-A108 PolarHBondContact O-N 3.22Å; A104-N126 WeakPolarHBondContact CB-OD1 3.22Å; A104-Q129 HydrophobicContact CB-CB 4.17Å; A104-Q129 HydrophobicContact CB-CG 3.67Å
105	C	98.1	Very high	95.9	Very high	35 Å²	35	32.8 Å²	32.8	24%	0.236	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-42.7	173.4	-73.6	0	0	0	0	112.2	E101 I103 A108 K109 Q129	E101-C105 WeakPolarHBondContact O-CB 3.44Å; E101-C105 PolarHBondContact O-N 2.86Å; E101-C105 PolarHBondContact O-SG 3.3Å; I103-C105 VanDerWaalsContact C-N 3.31Å; I103-C105 PolarHBondContact O-N 3.39Å; C105-A108 PolarHBondContact O-N 2.91Å; C105-K109 WeakPolarHBondContact O-CG 3Å; C105-K109 PolarHBondContact O-N 3.41Å; C105-K109 VanDerWaalsContact O-N 3.13Å; C105-Q129 VanDerWaalsContact SG-CD 3.51Å; C105-Q129 PolarHBondContact SG-OE1 2.79Å
106	H	96.4	Very high	96.2	Very high	31 Å²	31	32 Å²	32	14%	0.144	18%	0.178	C	C	.	.	H	α-helix	trans	-64.6	-48.7	177.5	172.8	74.2	0	0	0	111.6	I10 A102 I103 A104 A108 K109 T110 E403 Y405	I10-H106 HydrophobicContact CD1-CB 3.65Å; A102-H106 PolarHBondContact O-N 2.65Å; I103-H106 WeakPolarHBondContact O-CB 3.39Å; I103-H106 PolarHBondContact O-N 2.87Å; I103-H106 VanDerWaalsContact O-N 3.12Å; A104-H106 VanDerWaalsContact C-N 3.32Å; A104-H106 PolarHBondContact O-N 3.32Å; H106-A108 VanDerWaalsContact C-N 3.25Å; H106-A108 PolarHBondContact O-N 3.46Å; H106-K109 PolarHBondContact O-N 3.41Å; H106-K109 VanDerWaalsContact O-N 3.14Å; H106-T110 PolarHBondContact O-N 3.44Å; H106-T110 VanDerWaalsContact O-N 3.13Å; H106-T110 PolarHBondContact O-OG1 3.23Å; H106-E403 IonicContact CD2-OE1 3.77Å; H106-E403 IonicContact CD2-OE2 3.12Å; H106-E403 IonicContact CE1-OE1 2.69Å; H106-E403 PolarHBondContact CE1-OE1 2.91Å; H106-E403 VanDerWaalsContact NE2-CD 3.28Å; H106-E403 IonicContact NE2-OE1 2.56Å; H106-E403 PolarHBondContact NE2-OE1 3.02Å; H106-E403 IonicContact NE2-OE2 3.38Å; H106-E403 PolarHBondContact NE2-OE2 2.74Å; H106-Y405 AromaticContact CD2-CE1 3.81Å
107	Q	97.1	Very high	96.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.6	-41.5	175.1	-69	176.1	-37.1	0	0	111.7	I103 A104 K109 T110 C111 N126 F130 L363 Y365 Y405	I103-Q107 HydrophobicContact CG2-CG 4.42Å; I103-Q107 WeakPolarHBondContact O-CG 2.86Å; I103-Q107 PolarHBondContact O-N 3.42Å; A104-Q107 PolarHBondContact O-N 3.49Å; Q107-K109 PolarHBondContact O-N 2.87Å; Q107-T110 PolarHBondContact O-N 3.1Å; Q107-C111 VanDerWaalsContact O-CB 3.31Å; Q107-C111 WeakPolarHBondContact O-CB 3.41Å; Q107-C111 PolarHBondContact O-N 3.35Å; Q107-C111 PolarHBondContact O-SG 3.27Å; Q107-N126 PolarHBondContact OE1-OD1 3.12Å; Q107-N126 VanDerWaalsContact OE1-OD1 3.08Å; Q107-F130 HydrophobicContact CB-CE1 4.11Å; Q107-F130 HydrophobicContact CB-CZ 4.21Å; Q107-L363 HydrophobicContact CB-CD2 4.14Å; Q107-L363 HydrophobicContact CG-CD2 4.04Å; Q107-Y365 VanDerWaalsContact NE2-CD2 3.32Å; Q107-Y405 HydrophobicContact CG-CE1 4.23Å; Q107-Y405 VanDerWaalsContact NE2-CE2 3.28Å; Q107-Y405 PolarHBondContact NE2-OH 3.37Å
108	A	98.2	Very high	96.9	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-36.1	178.5	0	0	0	0	0	113.7	A104 C105 H106 S112 Q129 F130 T133	A104-A108 WeakPolarHBondContact O-CB 3.33Å; A104-A108 PolarHBondContact O-N 3.22Å; C105-A108 PolarHBondContact O-N 2.91Å; H106-A108 VanDerWaalsContact C-N 3.25Å; H106-A108 PolarHBondContact O-N 3.46Å; A108-S112 PolarHBondContact O-N 3.36Å; A108-Q129 HydrophobicContact CB-CB 3.81Å; A108-Q129 VanDerWaalsContact CB-O 3.27Å; A108-Q129 WeakPolarHBondContact CB-O 3.36Å; A108-F130 HydrophobicContact CB-CD1 3.88Å; A108-F130 HydrophobicContact CB-CE1 4.35Å; A108-T133 HydrophobicContact CB-CG2 4.1Å; A108-T133 WeakPolarHBondContact O-CB 3.34Å; A108-T133 PolarHBondContact O-OG1 3.01Å
109	K	95.9	Very high	97.1	Very high	154 Å²	154	25 Å²	25	67%	0.67	14%	0.142	S	C	*	.	H	α-helix	trans	-65.6	-46.9	173.6	-70.6	170.7	-176.5	175.9	0	111.2	C105 H106 Q107 C111 S112	C105-K109 WeakPolarHBondContact O-CG 3Å; C105-K109 PolarHBondContact O-N 3.41Å; C105-K109 VanDerWaalsContact O-N 3.13Å; H106-K109 PolarHBondContact O-N 3.41Å; H106-K109 VanDerWaalsContact O-N 3.14Å; Q107-K109 PolarHBondContact O-N 2.87Å; K109-C111 VanDerWaalsContact C-N 3.3Å; K109-C111 PolarHBondContact O-N 3.04Å; K109-S112 PolarHBondContact O-N 3.22Å
110	T	94.9	Very high	97.2	Very high	29 Å²	29	26.3 Å²	26.3	18%	0.178	15%	0.148	C	C	.	.	H	α-helix	trans	-64.5	-35.2	179.2	-56.9	0	0	0	0	112.2	H106 Q107 Y417 F424	H106-T110 PolarHBondContact O-N 3.44Å; H106-T110 VanDerWaalsContact O-N 3.13Å; H106-T110 PolarHBondContact O-OG1 3.23Å; Q107-T110 PolarHBondContact O-N 3.1Å; T110-Y417 HydrophobicContact CG2-CD1 4.48Å; T110-Y417 HydrophobicContact CG2-CE1 3.58Å; T110-F424 HydrophobicContact CG2-CE1 4.42Å; T110-F424 HydrophobicContact CG2-CE2 4.08Å; T110-F424 HydrophobicContact CG2-CZ 3.59Å
111	C	96.4	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	21.1	-176.7	-56.4	0	0	0	0	113.9	Q107 K109 C113 L116 F130 C134 I297 L363	Q107-C111 VanDerWaalsContact O-CB 3.31Å; Q107-C111 WeakPolarHBondContact O-CB 3.41Å; Q107-C111 PolarHBondContact O-N 3.35Å; Q107-C111 PolarHBondContact O-SG 3.27Å; K109-C111 VanDerWaalsContact C-N 3.3Å; K109-C111 PolarHBondContact O-N 3.04Å; C111-C113 PolarHBondContact O-N 2.98Å; C111-C113 PolarHBondContact O-SG 2.98Å; C111-L116 HydrophobicContact CB-CD1 3.76Å; C111-F130 HydrophobicContact CB-CD1 4.37Å; C111-F130 HydrophobicContact CB-CE1 3.94Å; C111-C134 PolarHBondContact O-SG 3.37Å; C111-I297 HydrophobicContact CB-CD1 3.72Å; C111-I297 HydrophobicContact CB-CG2 4.28Å; C111-L363 VanDerWaalsContact SG-CD2 3.54Å
112	S	96.4	Very high	97.3	Very high	73 Å²	73	26.3 Å²	26.3	51%	0.51	15%	0.152	S	C	.	.			trans	-60.1	122.2	176.6	-172.3	0	0	0	0	110.9	A108 K109 T133	A108-S112 PolarHBondContact O-N 3.36Å; K109-S112 PolarHBondContact O-N 3.22Å; S112-T133 PolarHBondContact OG-O 2.88Å; S112-T133 VanDerWaalsContact OG-O 3.1Å
113	C	95.7	Very high	97.4	Very high	23 Å²	23	24.6 Å²	24.6	16%	0.155	14%	0.137	C	C	.	.			trans	-161.1	-177.7	-176	58.8	0	0	0	0	112.1	C111 C134 R135 D296 I297	C111-C113 PolarHBondContact O-N 2.98Å; C111-C113 PolarHBondContact O-SG 2.98Å; C113-C134 CarbonylContact O-C 3.46Å; C113-C134 WeakPolarHBondContact O-CA 3.32Å; C113-C134 WeakPolarHBondContact O-CB 3.46Å; C113-R135 PolarHBondContact O-N 2.79Å; C113-R135 VanDerWaalsContact O-N 3.09Å; C113-D296 HydrophobicContact CB-CB 3.52Å; C113-I297 HydrophobicContact CB-CD1 4.35Å
114	D	96.7	Very high	97.4	Very high	89 Å²	89	24.5 Å²	24.5	48%	0.476	14%	0.137	S	C	.	.	S	Bend	trans	-79.2	-48.8	179.3	-89.8	-46.1	0	0	0	111.8	R135 L136 D296	D114-R135 WeakPolarHBondContact O-CB 3.12Å; D114-R135 IonicContact OD1-CZ 2.89Å; D114-R135 IonicContact OD1-NE 2.93Å; D114-R135 PolarHBondContact OD1-NE 2.83Å; D114-R135 IonicContact OD1-NH2 2.88Å; D114-L136 PolarHBondContact O-N 3.33Å; D114-D296 WeakPolarHBondContact CA-OD2 3.43Å; D114-D296 VanDerWaalsContact CB-OD2 3.31Å; D114-D296 WeakPolarHBondContact CB-OD2 3.28Å; D114-D296 PolarHBondContact N-OD2 3.14Å
115	L	97.3	Very high	97.4	Very high	24 Å²	24	24.8 Å²	24.8	13%	0.126	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	111.9	179.1	-179.9	58.8	0	0	0	111.8	L136 L294 I295 D296	L115-L136 WeakPolarHBondContact CA-O 3.45Å; L115-L136 HydrophobicContact CD1-CB 4.13Å; L115-L136 HydrophobicContact CD1-CD2 4.02Å; L115-L136 HydrophobicContact CD1-CG 4.01Å; L115-L294 HydrophobicContact CD2-CD2 4.29Å; L115-L294 HydrophobicContact CD2-CG 3.97Å; L115-L294 WeakPolarHBondContact CD2-O 3.49Å; L115-I295 HydrophobicContact CD2-CG1 3.87Å; L115-I295 HydrophobicContact CG-CG1 4.32Å; L115-D296 PolarHBondContact N-OD2 3.03Å; L115-D296 WeakPolarHBondContact O-CB 3.39Å; L115-D296 PolarHBondContact O-N 3.44Å
116	L	98.4	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.8	172.6	-174.1	142.4	0	0	0	110.7	C111 D118 F130 C134 L136 V137 L138 I297 F299	C111-L116 HydrophobicContact CB-CD1 3.76Å; L116-D118 HydrophobicContact CD2-CB 4.36Å; L116-F130 HydrophobicContact CD1-CB 4.45Å; L116-F130 HydrophobicContact CD1-CD1 3.59Å; L116-F130 HydrophobicContact CD1-CD2 4.37Å; L116-F130 HydrophobicContact CD1-CE1 3.87Å; L116-F130 HydrophobicContact CD1-CG 3.91Å; L116-F130 HydrophobicContact CD1-CZ 4.37Å; L116-F130 HydrophobicContact CD2-CB 4.07Å; L116-F130 HydrophobicContact CD2-CD1 4.28Å; L116-F130 HydrophobicContact CD2-CD2 3.59Å; L116-F130 HydrophobicContact CD2-CE2 4.05Å; L116-F130 HydrophobicContact CD2-CG 3.74Å; L116-F130 HydrophobicContact CG-CG 4.47Å; L116-C134 HydrophobicContact CB-CB 4.4Å; L116-L136 PolarHBondContact N-O 3.42Å; L116-V137 HydrophobicContact CD2-CG1 3.99Å; L116-V137 CarbonylContact O-C 3.55Å; L116-V137 VanDerWaalsContact O-CA 3.31Å; L116-V137 WeakPolarHBondContact O-CA 3.45Å; L116-L138 PolarHBondContact O-N 2.83Å; L116-I297 WeakPolarHBondContact CA-O 3.43Å; L116-I297 HydrophobicContact CD1-CB 4.22Å; L116-I297 HydrophobicContact CD1-CG2 4.06Å; L116-I297 HydrophobicContact CG-CB 4.47Å; L116-F299 HydrophobicContact CD2-CB 4.28Å
117	V	98.7	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.5	168.4	179.7	0	0	0	0	109.2	L138 I140 L174 I295 I297 I298 F299	V117-L138 CarbonylContact C-O 3.53Å; V117-L138 WeakPolarHBondContact CA-O 3.33Å; V117-L138 HydrophobicContact CG1-CD2 4.32Å; V117-L138 HydrophobicContact CG2-CB 4.14Å; V117-L138 HydrophobicContact CG2-CD2 4.03Å; V117-I140 HydrophobicContact CG1-CD1 3.72Å; V117-I140 HydrophobicContact CG1-CG1 4.43Å; V117-L174 HydrophobicContact CG1-CD2 4.15Å; V117-I295 HydrophobicContact CB-CG2 4.5Å; V117-I295 HydrophobicContact CG2-CB 4.47Å; V117-I295 HydrophobicContact CG2-CD1 3.89Å; V117-I295 HydrophobicContact CG2-CG1 3.93Å; V117-I295 HydrophobicContact CG2-CG2 3.67Å; V117-I297 PolarHBondContact N-O 3.02Å; V117-I298 HydrophobicContact CB-CG1 4.14Å; V117-I298 HydrophobicContact CB-CG2 4.43Å; V117-I298 HydrophobicContact CG2-CG1 4.43Å; V117-F299 PolarHBondContact O-N 2.83Å
118	D	98.8	Very high	97.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	104	166.4	-172.8	-14.7	0	0	0	108.1	L116 F120 A121 T127 V137 L138 I140 F299	L116-D118 HydrophobicContact CD2-CB 4.36Å; D118-F120 VanDerWaalsContact C-N 3.3Å; D118-F120 PolarHBondContact O-N 3.2Å; D118-F120 PolarHBondContact OD1-N 3.13Å; D118-A121 HydrophobicContact CB-CB 4.48Å; D118-T127 PolarHBondContact OD2-N 2.99Å; D118-T127 PolarHBondContact OD2-OG1 2.86Å; D118-V137 HydrophobicContact CB-CG1 4.22Å; D118-L138 PolarHBondContact N-O 2.93Å; D118-I140 PolarHBondContact O-N 2.6Å; D118-F299 WeakPolarHBondContact OD1-CD1 3.02Å
119	A	98.4	Very high	97.7	Very high	2 Å²	2	22.2 Å²	22.2	2%	0.017	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-16.1	-170.1	0	0	0	0	0	114.1	V170 I298 F299 M300	A119-V170 HydrophobicContact CB-CG2 3.78Å; A119-V170 WeakPolarHBondContact O-CG2 3.46Å; A119-I298 HydrophobicContact CB-CG2 4.47Å; A119-F299 WeakPolarHBondContact CB-O 3.44Å; A119-F299 PolarHBondContact N-O 3.31Å; A119-M300 HydrophobicContact CB-CG 4.04Å
120	F	98.1	Very high	97.8	Very high	31 Å²	31	14.9 Å²	14.9	14%	0.136	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.8	61.1	-176.1	-60.9	-84.2	0	0	0	109.7	D118 G122 V170 M300 S301 P302 F347 A351	D118-F120 VanDerWaalsContact C-N 3.3Å; D118-F120 PolarHBondContact O-N 3.2Å; D118-F120 PolarHBondContact OD1-N 3.13Å; F120-G122 VanDerWaalsContact C-N 3.28Å; F120-G122 PolarHBondContact O-N 3.32Å; F120-V170 HydrophobicContact CE1-CB 4.47Å; F120-V170 HydrophobicContact CE1-CG1 3.99Å; F120-V170 HydrophobicContact CE2-CG2 4.48Å; F120-V170 HydrophobicContact CZ-CG1 3.99Å; F120-V170 HydrophobicContact CZ-CG2 4.24Å; F120-M300 HydrophobicContact CD2-CB 4.14Å; F120-M300 HydrophobicContact CE2-CB 4.11Å; F120-M300 HydrophobicContact CE2-CG 4.28Å; F120-S301 WeakPolarHBondContact CB-O 3.28Å; F120-S301 PolarHBondContact O-OG 3.2Å; F120-P302 HydrophobicContact CD1-CB 4.45Å; F120-P302 HydrophobicContact CD2-CB 4.22Å; F120-P302 HydrophobicContact CE1-CB 4.15Å; F120-P302 HydrophobicContact CE2-CB 3.91Å; F120-P302 HydrophobicContact CE2-CG 4.47Å; F120-P302 HydrophobicContact CG-CB 4.48Å; F120-P302 HydrophobicContact CZ-CB 3.87Å; F120-F347 HydrophobicContact CE1-CB 4.3Å; F120-F347 HydrophobicContact CZ-CB 4.24Å; F120-A351 HydrophobicContact CE2-CB 4.34Å; F120-A351 HydrophobicContact CZ-CB 4.17Å
121	A	98.4	Very high	98	Very high	6 Å²	6	13.5 Å²	13.5	5%	0.05	8%	0.084	C	C	.	.			trans	-65.4	-26.2	-163.3	0	0	0	0	0	114.6	D118 V123 G124 T127 A139 I140 E141 L150	D118-A121 HydrophobicContact CB-CB 4.48Å; A121-V123 PolarHBondContact O-N 2.76Å; A121-G124 WeakPolarHBondContact O-CA 3.49Å; A121-G124 PolarHBondContact O-N 3.48Å; A121-T127 WeakPolarHBondContact CB-OG1 3.47Å; A121-A139 HydrophobicContact CB-CB 3.82Å; A121-I140 WeakPolarHBondContact CB-O 3.38Å; A121-I140 PolarHBondContact N-O 2.69Å; A121-E141 HydrophobicContact CB-CB 4.41Å; A121-L150 HydrophobicContact CB-CD1 3.62Å
122	G	97.5	Very high	98.1	Very high	15 Å²	15	20.1 Å²	20.1	16%	0.155	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-134.6	-178.9	0	0	0	0	0	111.2	F120 G124 E141	F120-G122 VanDerWaalsContact C-N 3.28Å; F120-G122 PolarHBondContact O-N 3.32Å; G122-G124 VanDerWaalsContact C-N 3.28Å; G122-E141 WeakPolarHBondContact CA-OE2 3.44Å; G122-E141 PolarHBondContact N-OE2 3.04Å
123	V	98.1	Very high	98.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	15.9	171.8	-56.5	0	0	0	0	112.8	L90 S94 I98 A121 R146 M149 N153	L90-V123 HydrophobicContact CD2-CG2 3.79Å; S94-V123 WeakPolarHBondContact OG-CG1 3.35Å; S94-V123 WeakPolarHBondContact OG-CG2 3.28Å; I98-V123 HydrophobicContact CD1-CG2 3.23Å; I98-V123 HydrophobicContact CG1-CG2 4.07Å; A121-V123 PolarHBondContact O-N 2.76Å; V123-R146 HydrophobicContact CG1-CB 4.07Å; V123-R146 HydrophobicContact CG1-CG 3.92Å; V123-M149 HydrophobicContact CB-CB 4.08Å; V123-M149 HydrophobicContact CG1-CB 3.74Å; V123-M149 HydrophobicContact CG1-CG 4.41Å; V123-M149 HydrophobicContact CG1-SD 3.83Å; V123-N153 PolarHBondContact O-ND2 2.8Å
124	G	98.4	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	96.6	15.2	166.1	0	0	0	0	0	117.8	A121 G122 N126 I128	A121-G124 WeakPolarHBondContact O-CA 3.49Å; A121-G124 PolarHBondContact O-N 3.48Å; G122-G124 VanDerWaalsContact C-N 3.28Å; G124-N126 PolarHBondContact O-N 2.94Å; G124-I128 VanDerWaalsContact O-CB 3.23Å; G124-I128 WeakPolarHBondContact O-CB 3.37Å; G124-I128 WeakPolarHBondContact O-CD1 3.41Å; G124-I128 WeakPolarHBondContact O-CG1 3.41Å; G124-I128 PolarHBondContact O-N 3.28Å
125	G	97.9	Very high	98.4	Very high	6 Å²	6	21.2 Å²	21.2	6%	0.062	10%	0.098	C	C	.	.	H	α-helix	trans	-52.8	-50.1	-177.7	0	0	0	0	0	113.5
126	N	98.7	Very high	98.5	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.048	10%	0.103	C	C	.	.	H	α-helix	trans	-82.1	-47.6	176.7	-56.6	-62.1	0	0	0	112.1	T99 A104 Q107 G124 I128 Q129 F130 F299	T99-N126 WeakPolarHBondContact CB-OD1 3.35Å; T99-N126 WeakPolarHBondContact CG2-OD1 3.42Å; T99-N126 PolarHBondContact OG1-ND2 3.21Å; T99-N126 PolarHBondContact OG1-OD1 3.31Å; A104-N126 WeakPolarHBondContact CB-OD1 3.22Å; Q107-N126 PolarHBondContact OE1-OD1 3.12Å; Q107-N126 VanDerWaalsContact OE1-OD1 3.08Å; G124-N126 PolarHBondContact O-N 2.94Å; N126-I128 PolarHBondContact O-N 3.18Å; N126-I128 VanDerWaalsContact O-N 3.15Å; N126-Q129 PolarHBondContact O-N 3.29Å; N126-F130 HydrophobicContact CB-CD2 4.04Å; N126-F130 HydrophobicContact CB-CE2 3.56Å; N126-F130 HydrophobicContact CB-CZ 4.3Å; N126-F130 VanDerWaalsContact O-CD2 3.28Å; N126-F130 WeakPolarHBondContact O-CD2 3.27Å; N126-F130 PolarHBondContact O-N 2.81Å; N126-F299 HydrophobicContact CB-CD1 4.33Å; N126-F299 HydrophobicContact CB-CE1 3.73Å; N126-F299 HydrophobicContact CB-CZ 4.15Å; N126-F299 WeakPolarHBondContact ND2-CE1 3.4Å
127	T	98.9	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-45.8	-46.4	177.9	-62.8	0	0	0	0	112.7	D118 A121 Q129 F130 A131 V137 A139 L150 I163	D118-T127 PolarHBondContact OD2-N 2.99Å; D118-T127 PolarHBondContact OD2-OG1 2.86Å; A121-T127 WeakPolarHBondContact CB-OG1 3.47Å; T127-Q129 VanDerWaalsContact C-N 3.33Å; T127-Q129 PolarHBondContact O-N 2.69Å; T127-F130 PolarHBondContact O-N 3.41Å; T127-A131 WeakPolarHBondContact O-CB 3.41Å; T127-A131 PolarHBondContact O-N 3.05Å; T127-V137 HydrophobicContact CG2-CG1 4Å; T127-A139 HydrophobicContact CG2-CB 3.7Å; T127-L150 HydrophobicContact CG2-CD1 4.36Å; T127-L150 HydrophobicContact CG2-CD2 4.25Å; T127-I163 HydrophobicContact CG2-CD1 3.77Å; T127-I163 HydrophobicContact CG2-CG1 3.95Å; T127-I163 HydrophobicContact CG2-CG2 3.82Å
128	I	98.8	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.8	-42.4	-179.6	-74.2	166.8	0	0	0	111.2	F81 G124 N126 A131 R132 N153 A154 Y157 V159	F81-I128 HydrophobicContact CE1-CD1 4.07Å; G124-I128 VanDerWaalsContact O-CB 3.23Å; G124-I128 WeakPolarHBondContact O-CB 3.37Å; G124-I128 WeakPolarHBondContact O-CD1 3.41Å; G124-I128 WeakPolarHBondContact O-CG1 3.41Å; G124-I128 PolarHBondContact O-N 3.28Å; N126-I128 PolarHBondContact O-N 3.18Å; N126-I128 VanDerWaalsContact O-N 3.15Å; I128-A131 PolarHBondContact O-N 3.3Å; I128-R132 WeakPolarHBondContact O-CG 3.39Å; I128-R132 PolarHBondContact O-N 3.42Å; I128-N153 HydrophobicContact CD1-CB 3.55Å; I128-A154 HydrophobicContact CG1-CB 4.23Å; I128-Y157 HydrophobicContact CD1-CD2 4.21Å; I128-Y157 HydrophobicContact CG2-CD1 3.7Å; I128-Y157 HydrophobicContact CG2-CD2 3.92Å; I128-Y157 HydrophobicContact CG2-CE1 4.35Å; I128-Y157 HydrophobicContact CG2-CG 3.44Å; I128-Y157 VanDerWaalsContact CG2-CG 3.44Å; I128-V159 HydrophobicContact CB-CG2 4.43Å; I128-V159 HydrophobicContact CG1-CG2 4.43Å; I128-V159 HydrophobicContact CG2-CG2 4.04Å
129	Q	98.8	Very high	98.5	Very high	5 Å²	5	23 Å²	23	2%	0.023	11%	0.107	C	C	.	.	H	α-helix	trans	-73.1	-39.8	179.5	-55.9	-54.1	-33.2	0	0	111.3	E101 A104 C105 A108 N126 T127 A131 R132	E101-Q129 VanDerWaalsContact CD-NE2 3.33Å; E101-Q129 PolarHBondContact OE1-NE2 2.63Å; A104-Q129 HydrophobicContact CB-CB 4.17Å; A104-Q129 HydrophobicContact CB-CG 3.67Å; C105-Q129 VanDerWaalsContact SG-CD 3.51Å; C105-Q129 PolarHBondContact SG-OE1 2.79Å; A108-Q129 HydrophobicContact CB-CB 3.81Å; A108-Q129 VanDerWaalsContact CB-O 3.27Å; A108-Q129 WeakPolarHBondContact CB-O 3.36Å; N126-Q129 PolarHBondContact O-N 3.29Å; T127-Q129 VanDerWaalsContact C-N 3.33Å; T127-Q129 PolarHBondContact O-N 2.69Å; Q129-A131 VanDerWaalsContact C-N 3.27Å; Q129-A131 PolarHBondContact O-N 3.27Å; Q129-R132 WeakPolarHBondContact O-CB 2.85Å; Q129-R132 PolarHBondContact O-N 2.96Å; Q129-R132 VanDerWaalsContact O-N 3.07Å; Q129-R132 VanDerWaalsContact OE1-CD 3.26Å
130	F	98.8	Very high	98.5	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.8	-41.1	172.3	-67.2	-49.7	0	0	0	111.6	Q107 A108 C111 L116 N126 T127 R132 T133 C134 V137 F299	Q107-F130 HydrophobicContact CB-CE1 4.11Å; Q107-F130 HydrophobicContact CB-CZ 4.21Å; A108-F130 HydrophobicContact CB-CD1 3.88Å; A108-F130 HydrophobicContact CB-CE1 4.35Å; C111-F130 HydrophobicContact CB-CD1 4.37Å; C111-F130 HydrophobicContact CB-CE1 3.94Å; L116-F130 HydrophobicContact CD1-CB 4.45Å; L116-F130 HydrophobicContact CD1-CD1 3.59Å; L116-F130 HydrophobicContact CD1-CD2 4.37Å; L116-F130 HydrophobicContact CD1-CE1 3.87Å; L116-F130 HydrophobicContact CD1-CG 3.91Å; L116-F130 HydrophobicContact CD1-CZ 4.37Å; L116-F130 HydrophobicContact CD2-CB 4.07Å; L116-F130 HydrophobicContact CD2-CD1 4.28Å; L116-F130 HydrophobicContact CD2-CD2 3.59Å; L116-F130 HydrophobicContact CD2-CE2 4.05Å; L116-F130 HydrophobicContact CD2-CG 3.74Å; L116-F130 HydrophobicContact CG-CG 4.47Å; N126-F130 HydrophobicContact CB-CD2 4.04Å; N126-F130 HydrophobicContact CB-CE2 3.56Å; N126-F130 HydrophobicContact CB-CZ 4.3Å; N126-F130 VanDerWaalsContact O-CD2 3.28Å; N126-F130 WeakPolarHBondContact O-CD2 3.27Å; N126-F130 PolarHBondContact O-N 2.81Å; T127-F130 PolarHBondContact O-N 3.41Å; F130-R132 PolarHBondContact O-N 2.77Å; F130-R132 VanDerWaalsContact O-N 3.12Å; F130-T133 PolarHBondContact O-N 3.01Å; F130-T133 PolarHBondContact O-OG1 2.99Å; F130-C134 VanDerWaalsContact O-CB 3.3Å; F130-C134 WeakPolarHBondContact O-CB 3.5Å; F130-C134 PolarHBondContact O-N 3.12Å; F130-C134 PolarHBondContact O-SG 3.31Å; F130-V137 HydrophobicContact CB-CG1 4.47Å; F130-V137 HydrophobicContact CB-CG2 3.63Å; F130-F299 HydrophobicContact CE2-CB 3.79Å; F130-F299 AromaticContact CE2-CD1 3.53Å; F130-F299 HydrophobicContact CE2-CD1 3.53Å; F130-F299 HydrophobicContact CE2-CD2 4.05Å; F130-F299 HydrophobicContact CE2-CE1 4.06Å; F130-F299 AromaticContact CE2-CG 3.5Å; F130-F299 HydrophobicContact CE2-CG 3.5Å; F130-F299 VanDerWaalsContact CE2-CG 3.5Å; F130-F299 HydrophobicContact CZ-CB 3.89Å; F130-F299 HydrophobicContact CZ-CD1 4.03Å; F130-F299 AromaticContact CZ-CD2 3.66Å; F130-F299 HydrophobicContact CZ-CD2 3.66Å; F130-F299 HydrophobicContact CZ-CE1 4.47Å; F130-F299 HydrophobicContact CZ-CE2 4.15Å; F130-F299 AromaticContact CZ-CG 3.57Å; F130-F299 HydrophobicContact CZ-CG 3.57Å
131	A	98.8	Very high	98.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67	-11.6	179	0	0	0	0	0	114.2	T127 I128 Q129 V137 V159 N162 I163	T127-A131 WeakPolarHBondContact O-CB 3.41Å; T127-A131 PolarHBondContact O-N 3.05Å; I128-A131 PolarHBondContact O-N 3.3Å; Q129-A131 VanDerWaalsContact C-N 3.27Å; Q129-A131 PolarHBondContact O-N 3.27Å; A131-V137 HydrophobicContact CB-CG2 4.09Å; A131-V159 HydrophobicContact CB-CB 3.83Å; A131-V159 HydrophobicContact CB-CG2 3.98Å; A131-N162 HydrophobicContact CB-CB 4.12Å; A131-N162 PolarHBondContact O-ND2 3.46Å; A131-I163 HydrophobicContact CB-CD1 3.72Å; A131-I163 HydrophobicContact CB-CG1 3.5Å; A131-I163 VanDerWaalsContact CB-CG1 3.5Å
132	R	98.6	Very high	98.4	Very high	139 Å²	139	26.1 Å²	26.1	53%	0.525	12%	0.124	S	C	.	.	H	α-helix	trans	-85.2	-22.5	172.3	-62.7	174.1	74	163.9	4.6	113.2	I128 Q129 F130 V159	I128-R132 WeakPolarHBondContact O-CG 3.39Å; I128-R132 PolarHBondContact O-N 3.42Å; Q129-R132 WeakPolarHBondContact O-CB 2.85Å; Q129-R132 PolarHBondContact O-N 2.96Å; Q129-R132 VanDerWaalsContact O-N 3.07Å; Q129-R132 VanDerWaalsContact OE1-CD 3.26Å; F130-R132 PolarHBondContact O-N 2.77Å; F130-R132 VanDerWaalsContact O-N 3.12Å; R132-V159 HydrophobicContact CG-CG1 3.69Å
133	T	98	Very high	98.4	Very high	47 Å²	47	27 Å²	27	29%	0.288	13%	0.128	S	C	.	.	H	α-helix	trans	-115.4	-33.8	-175.4	59.9	0	0	0	0	112.5	A108 S112 F130	A108-T133 HydrophobicContact CB-CG2 4.1Å; A108-T133 WeakPolarHBondContact O-CB 3.34Å; A108-T133 PolarHBondContact O-OG1 3.01Å; S112-T133 PolarHBondContact OG-O 2.88Å; S112-T133 VanDerWaalsContact OG-O 3.1Å; F130-T133 PolarHBondContact O-N 3.01Å; F130-T133 PolarHBondContact O-OG1 2.99Å
134	C	98.5	Very high	98.4	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.027	15%	0.152	C	C	.	.	S	Bend	trans	-89.7	150.8	177.8	-52.7	0	0	0	0	111	C111 C113 L116 F130 V137	C111-C134 PolarHBondContact O-SG 3.37Å; C113-C134 CarbonylContact O-C 3.46Å; C113-C134 WeakPolarHBondContact O-CA 3.32Å; C113-C134 WeakPolarHBondContact O-CB 3.46Å; L116-C134 HydrophobicContact CB-CB 4.4Å; F130-C134 VanDerWaalsContact O-CB 3.3Å; F130-C134 WeakPolarHBondContact O-CB 3.5Å; F130-C134 PolarHBondContact O-N 3.12Å; F130-C134 PolarHBondContact O-SG 3.31Å; C134-V137 HydrophobicContact CB-CG2 4.21Å
135	R	98.5	Very high	98.4	Very high	156 Å²	156	36.2 Å²	36.2	59%	0.589	18%	0.175	S	C	*	.	S	Bend	trans	-69.9	-39.5	177.8	-179.2	176.7	58.7	73.9	0.1	112.2	C113 D114	C113-R135 PolarHBondContact O-N 2.79Å; C113-R135 VanDerWaalsContact O-N 3.09Å; D114-R135 WeakPolarHBondContact O-CB 3.12Å; D114-R135 IonicContact OD1-CZ 2.89Å; D114-R135 IonicContact OD1-NE 2.93Å; D114-R135 PolarHBondContact OD1-NE 2.83Å; D114-R135 IonicContact OD1-NH2 2.88Å
136	L	98.7	Very high	98.4	Very high	45 Å²	45	37.8 Å²	37.8	24%	0.236	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137	175.6	-177.3	62.5	0	0	0	110.8	D114 L115 L116 N162 M164	D114-L136 PolarHBondContact O-N 3.33Å; L115-L136 WeakPolarHBondContact CA-O 3.45Å; L115-L136 HydrophobicContact CD1-CB 4.13Å; L115-L136 HydrophobicContact CD1-CD2 4.02Å; L115-L136 HydrophobicContact CD1-CG 4.01Å; L116-L136 PolarHBondContact N-O 3.42Å; L136-N162 WeakPolarHBondContact CA-O 3.3Å; L136-M164 HydrophobicContact CD1-CB 4.26Å; L136-M164 HydrophobicContact CD2-CE 4.33Å
137	V	98.9	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121.4	171.8	-176.7	0	0	0	0	109.7	L116 D118 T127 F130 A131 C134 N162 I163 M164	L116-V137 HydrophobicContact CD2-CG1 3.99Å; L116-V137 CarbonylContact O-C 3.55Å; L116-V137 VanDerWaalsContact O-CA 3.31Å; L116-V137 WeakPolarHBondContact O-CA 3.45Å; D118-V137 HydrophobicContact CB-CG1 4.22Å; T127-V137 HydrophobicContact CG2-CG1 4Å; F130-V137 HydrophobicContact CB-CG1 4.47Å; F130-V137 HydrophobicContact CB-CG2 3.63Å; A131-V137 HydrophobicContact CB-CG2 4.09Å; C134-V137 HydrophobicContact CB-CG2 4.21Å; V137-N162 PolarHBondContact N-O 3.11Å; V137-I163 HydrophobicContact CB-CG1 4.44Å; V137-I163 CarbonylContact O-C 3.6Å; V137-I163 WeakPolarHBondContact O-CA 3.48Å; V137-M164 PolarHBondContact O-N 2.81Å
138	L	98.7	Very high	98.3	Very high	16 Å²	16	41.4 Å²	41.4	8%	0.084	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	104.4	166.9	-175.2	74	0	0	0	108.6	L116 V117 D118 M164 V166 L177	L116-L138 PolarHBondContact O-N 2.83Å; V117-L138 CarbonylContact C-O 3.53Å; V117-L138 WeakPolarHBondContact CA-O 3.33Å; V117-L138 HydrophobicContact CG1-CD2 4.32Å; V117-L138 HydrophobicContact CG2-CB 4.14Å; V117-L138 HydrophobicContact CG2-CD2 4.03Å; D118-L138 PolarHBondContact N-O 2.93Å; L138-M164 HydrophobicContact CD1-CB 3.96Å; L138-M164 HydrophobicContact CD1-CG 3.72Å; L138-M164 HydrophobicContact CD1-SD 3.49Å; L138-M164 WeakPolarHBondContact CD1-SD 3.47Å; L138-V166 HydrophobicContact CD1-CG2 3.53Å; L138-V166 HydrophobicContact CG-CG2 4.38Å; L138-L177 HydrophobicContact CD2-CD1 3.64Å; L138-L177 HydrophobicContact CD2-CD2 4.31Å
139	A	98.8	Very high	98.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	112.6	-177	0	0	0	0	0	110.7	A121 T127 L150 I163 M164 L165 V166	A121-A139 HydrophobicContact CB-CB 3.82Å; T127-A139 HydrophobicContact CG2-CB 3.7Å; A139-L150 HydrophobicContact CB-CD1 4.09Å; A139-I163 HydrophobicContact CB-CG2 3.81Å; A139-M164 PolarHBondContact N-O 3.44Å; A139-L165 HydrophobicContact CB-CD2 4.23Å; A139-V166 PolarHBondContact O-N 2.97Å
140	I	98.7	Very high	98.3	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	125.5	-179.5	-58.5	169.1	0	0	0	109.3	V117 D118 A121 V166 V170 I173 L174	V117-I140 HydrophobicContact CG1-CD1 3.72Å; V117-I140 HydrophobicContact CG1-CG1 4.43Å; D118-I140 PolarHBondContact O-N 2.6Å; A121-I140 WeakPolarHBondContact CB-O 3.38Å; A121-I140 PolarHBondContact N-O 2.69Å; I140-V166 WeakPolarHBondContact CA-O 3.33Å; I140-V170 HydrophobicContact CG2-CB 4.46Å; I140-I173 HydrophobicContact CB-CD1 4.46Å; I140-I173 HydrophobicContact CD1-CB 4.07Å; I140-I173 HydrophobicContact CD1-CG2 3.49Å; I140-I173 VanDerWaalsContact CD1-CG2 3.49Å; I140-I173 HydrophobicContact CG1-CD1 4.28Å; I140-I173 HydrophobicContact CG1-CG2 4Å; I140-I173 HydrophobicContact CG2-CD1 3.49Å; I140-I173 VanDerWaalsContact CG2-CD1 3.49Å; I140-L174 HydrophobicContact CD1-CD2 4.32Å
141	E	98.2	Very high	98.3	Very high	8 Å²	8	47 Å²	47	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	134.6	174.3	173	51.8	-111.1	0	0	109.3	A121 G122 C143 R146 L147 V166 C167 G168	A121-E141 HydrophobicContact CB-CB 4.41Å; G122-E141 WeakPolarHBondContact CA-OE2 3.44Å; G122-E141 PolarHBondContact N-OE2 3.04Å; E141-C143 HydrophobicContact CG-CB 4.39Å; E141-C143 VanDerWaalsContact OE1-CB 3.27Å; E141-C143 WeakPolarHBondContact OE1-CB 3.46Å; E141-C143 PolarHBondContact OE1-N 3.04Å; E141-R146 HydrophobicContact CG-CB 3.92Å; E141-R146 IonicContact OE1-CZ 3.73Å; E141-R146 IonicContact OE1-NH1 2.83Å; E141-R146 PolarHBondContact OE1-NH1 3.05Å; E141-R146 IonicContact OE2-NH1 2.67Å; E141-R146 PolarHBondContact OE2-NH1 3.35Å; E141-L147 HydrophobicContact CB-CD1 3.92Å; E141-L147 HydrophobicContact CG-CB 4.43Å; E141-V166 PolarHBondContact N-O 3.29Å; E141-V166 VanDerWaalsContact N-O 3.15Å; E141-C167 CarbonylContact O-C 3.57Å; E141-C167 VanDerWaalsContact O-CA 3.25Å; E141-C167 WeakPolarHBondContact O-CA 3.41Å; E141-G168 PolarHBondContact O-N 3.3Å
142	N	96.9	Very high	98.3	Very high	96 Å²	96	50.5 Å²	50.5	51%	0.513	24%	0.243	S	C	.	.	S	Bend	trans	-89.3	-13.5	-177.2	68.4	0.3	0	0	0	113.1	G168	N142-G168 WeakPolarHBondContact CA-O 3.39Å; N142-G168 WeakPolarHBondContact CB-O 3.4Å
143	C	97.1	Very high	98.3	Very high	34 Å²	34	43.9 Å²	43.9	23%	0.23	22%	0.218	C	C	.	.			trans	-98.9	103	176.9	-177.9	0	0	0	0	110.7	E141 R146 L147	E141-C143 HydrophobicContact CG-CB 4.39Å; E141-C143 VanDerWaalsContact OE1-CB 3.27Å; E141-C143 WeakPolarHBondContact OE1-CB 3.46Å; E141-C143 PolarHBondContact OE1-N 3.04Å; C143-R146 HydrophobicContact CB-CB 4.07Å; C143-R146 HydrophobicContact CB-CG 4.18Å; C143-R146 PolarHBondContact O-N 2.91Å; C143-L147 PolarHBondContact O-N 3.38Å
144	F	97.8	Very high	98.4	Very high	119 Å²	119	41.7 Å²	41.7	52%	0.522	20%	0.204	S	C	.	.	H	α-helix	trans	-53.5	-43.2	179.7	-177.3	-105.5	0	0	0	113.9	R146 L147 L148 C167	F144-R146 VanDerWaalsContact C-N 3.35Å; F144-R146 PolarHBondContact O-N 3.43Å; F144-L147 WeakPolarHBondContact O-CB 3.19Å; F144-L147 PolarHBondContact O-N 3.46Å; F144-L147 VanDerWaalsContact O-N 3.15Å; F144-L148 HydrophobicContact CD1-CD1 4.16Å; F144-L148 HydrophobicContact CD1-CG 4.41Å; F144-L148 HydrophobicContact CE1-CD1 3.67Å; F144-L148 HydrophobicContact CE1-CD2 4.29Å; F144-L148 HydrophobicContact CE1-CG 4.04Å; F144-L148 HydrophobicContact CE2-CD2 4.34Å; F144-L148 HydrophobicContact CZ-CD1 4.14Å; F144-L148 HydrophobicContact CZ-CD2 3.91Å; F144-L148 HydrophobicContact CZ-CG 4.11Å; F144-L148 PolarHBondContact O-N 3.35Å; F144-C167 HydrophobicContact CD2-CB 4.48Å
145	P	98	Very high	98.4	Very high	75 Å²	75	47.8 Å²	47.8	49%	0.487	23%	0.232	S	C	.	.	H	α-helix	trans	-55.6	-42.2	171.8	-28.2	35.3	0	0	0	114.5	L147 L148 M149	P145-L147 VanDerWaalsContact C-N 3.34Å; P145-L148 PolarHBondContact O-N 2.91Å; P145-M149 WeakPolarHBondContact O-CG 3.16Å; P145-M149 PolarHBondContact O-N 3.36Å; P145-M149 VanDerWaalsContact O-N 3.1Å
146	R	97.8	Very high	98.4	Very high	38 Å²	38	41.9 Å²	41.9	14%	0.143	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-36.9	175.8	-76.4	-165.4	-116	129.2	-6.8	111.8	D91 E93 V123 E141 C143 F144 L148 M149 L150	D91-R146 VanDerWaalsContact OD2-CD 3.3Å; D91-R146 WeakPolarHBondContact OD2-CD 3.27Å; D91-R146 WeakPolarHBondContact OD2-CG 3.38Å; D91-R146 IonicContact OD2-NE 3.51Å; D91-R146 PolarHBondContact OD2-NE 3.46Å; E93-R146 IonicContact OE1-NH2 2.8Å; E93-R146 IonicContact OE2-CZ 3.27Å; E93-R146 IonicContact OE2-NE 2.87Å; E93-R146 IonicContact OE2-NH2 3.68Å; E93-R146 PolarHBondContact OE2-NH2 2.87Å; V123-R146 HydrophobicContact CG1-CB 4.07Å; V123-R146 HydrophobicContact CG1-CG 3.92Å; E141-R146 HydrophobicContact CG-CB 3.92Å; E141-R146 IonicContact OE1-CZ 3.73Å; E141-R146 IonicContact OE1-NH1 2.83Å; E141-R146 PolarHBondContact OE1-NH1 3.05Å; E141-R146 IonicContact OE2-NH1 2.67Å; E141-R146 PolarHBondContact OE2-NH1 3.35Å; C143-R146 HydrophobicContact CB-CB 4.07Å; C143-R146 HydrophobicContact CB-CG 4.18Å; C143-R146 PolarHBondContact O-N 2.91Å; F144-R146 VanDerWaalsContact C-N 3.35Å; F144-R146 PolarHBondContact O-N 3.43Å; R146-L148 VanDerWaalsContact C-N 3.31Å; R146-L148 PolarHBondContact O-N 2.86Å; R146-M149 WeakPolarHBondContact O-CB 3.1Å; R146-M149 PolarHBondContact O-N 3.3Å; R146-L150 WeakPolarHBondContact O-CB 3.23Å; R146-L150 PolarHBondContact O-N 3.44Å
147	L	98.1	Very high	98.3	Very high	13 Å²	13	40.5 Å²	40.5	7%	0.068	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-37.2	175	-165.2	74.6	0	0	0	112.2	E141 C143 F144 P145 L150 Q151 L165 C167	E141-L147 HydrophobicContact CB-CD1 3.92Å; E141-L147 HydrophobicContact CG-CB 4.43Å; C143-L147 PolarHBondContact O-N 3.38Å; F144-L147 WeakPolarHBondContact O-CB 3.19Å; F144-L147 PolarHBondContact O-N 3.46Å; F144-L147 VanDerWaalsContact O-N 3.15Å; P145-L147 VanDerWaalsContact C-N 3.34Å; L147-L150 HydrophobicContact CD1-CD1 4.45Å; L147-L150 WeakPolarHBondContact O-CB 3.49Å; L147-L150 PolarHBondContact O-N 3.18Å; L147-Q151 PolarHBondContact O-N 3.15Å; L147-L165 HydrophobicContact CD1-CB 3.98Å; L147-L165 HydrophobicContact CD1-CD2 3.77Å; L147-L165 HydrophobicContact CD1-CG 4.38Å; L147-L165 HydrophobicContact CD2-CB 4.24Å; L147-L165 HydrophobicContact CG-CB 4.22Å; L147-L165 HydrophobicContact CG-CD2 4.39Å; L147-C167 HydrophobicContact CD2-CB 3.67Å
148	L	98.5	Very high	98.3	Very high	73 Å²	73	43.4 Å²	43.4	38%	0.382	23%	0.234	S	C	.	.	H	α-helix	trans	-66.9	-40.6	172.6	-65.6	179.9	0	0	0	112.2	F144 P145 R146 L150 Q151 I152	F144-L148 HydrophobicContact CD1-CD1 4.16Å; F144-L148 HydrophobicContact CD1-CG 4.41Å; F144-L148 HydrophobicContact CE1-CD1 3.67Å; F144-L148 HydrophobicContact CE1-CD2 4.29Å; F144-L148 HydrophobicContact CE1-CG 4.04Å; F144-L148 HydrophobicContact CE2-CD2 4.34Å; F144-L148 HydrophobicContact CZ-CD1 4.14Å; F144-L148 HydrophobicContact CZ-CD2 3.91Å; F144-L148 HydrophobicContact CZ-CG 4.11Å; F144-L148 PolarHBondContact O-N 3.35Å; P145-L148 PolarHBondContact O-N 2.91Å; R146-L148 VanDerWaalsContact C-N 3.31Å; R146-L148 PolarHBondContact O-N 2.86Å; L148-L150 VanDerWaalsContact C-N 3.34Å; L148-Q151 WeakPolarHBondContact O-CB 3.25Å; L148-Q151 PolarHBondContact O-N 2.8Å; L148-I152 PolarHBondContact O-N 2.87Å
149	M	98.7	Very high	98.3	Very high	42 Å²	42	43.2 Å²	43.2	21%	0.207	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-42.9	173.5	-65.3	178.6	-172.5	0	0	111.2	Q89 D91 V123 P145 R146 Q151 I152 N153	Q89-M149 HydrophobicContact CB-CB 3.79Å; Q89-M149 HydrophobicContact CB-CG 3.71Å; Q89-M149 HydrophobicContact CB-SD 4.36Å; D91-M149 HydrophobicContact CB-CE 4.01Å; D91-M149 HydrophobicContact CB-SD 4.06Å; V123-M149 HydrophobicContact CB-CB 4.08Å; V123-M149 HydrophobicContact CG1-CB 3.74Å; V123-M149 HydrophobicContact CG1-CG 4.41Å; V123-M149 HydrophobicContact CG1-SD 3.83Å; P145-M149 WeakPolarHBondContact O-CG 3.16Å; P145-M149 PolarHBondContact O-N 3.36Å; P145-M149 VanDerWaalsContact O-N 3.1Å; R146-M149 WeakPolarHBondContact O-CB 3.1Å; R146-M149 PolarHBondContact O-N 3.3Å; M149-Q151 VanDerWaalsContact C-N 3.33Å; M149-Q151 PolarHBondContact O-N 2.9Å; M149-I152 PolarHBondContact O-N 2.87Å; M149-N153 WeakPolarHBondContact O-CB 3.47Å; M149-N153 PolarHBondContact O-N 2.96Å; M149-N153 PolarHBondContact O-ND2 2.94Å; M149-N153 PolarHBondContact O-OD1 3.02Å
150	L	98.7	Very high	98.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-48.1	173.8	-171.1	172.1	0	0	0	110.7	A121 T127 A139 R146 L147 L148 I152 N153 A154 I163 L165	A121-L150 HydrophobicContact CB-CD1 3.62Å; T127-L150 HydrophobicContact CG2-CD1 4.36Å; T127-L150 HydrophobicContact CG2-CD2 4.25Å; A139-L150 HydrophobicContact CB-CD1 4.09Å; R146-L150 WeakPolarHBondContact O-CB 3.23Å; R146-L150 PolarHBondContact O-N 3.44Å; L147-L150 HydrophobicContact CD1-CD1 4.45Å; L147-L150 WeakPolarHBondContact O-CB 3.49Å; L147-L150 PolarHBondContact O-N 3.18Å; L148-L150 VanDerWaalsContact C-N 3.34Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 2.89Å; L150-N153 PolarHBondContact O-N 2.98Å; L150-A154 HydrophobicContact CD2-CB 4.25Å; L150-A154 VanDerWaalsContact O-CB 3.31Å; L150-A154 WeakPolarHBondContact O-CB 3.49Å; L150-A154 PolarHBondContact O-N 2.8Å; L150-I163 HydrophobicContact CD2-CG2 4.4Å; L150-L165 HydrophobicContact CD1-CD2 4.02Å; L150-L165 HydrophobicContact CD2-CD2 3.44Å; L150-L165 VanDerWaalsContact CD2-CD2 3.44Å; L150-L165 HydrophobicContact CG-CD2 4.23Å
151	Q	98.7	Very high	98.3	Very high	80 Å²	80	50.4 Å²	50.4	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-56.5	-45.7	179.1	-174.8	179	-2.6	0	0	112.2	L147 L148 M149 Q155 L160 L165	L147-Q151 PolarHBondContact O-N 3.15Å; L148-Q151 WeakPolarHBondContact O-CB 3.25Å; L148-Q151 PolarHBondContact O-N 2.8Å; M149-Q151 VanDerWaalsContact C-N 3.33Å; M149-Q151 PolarHBondContact O-N 2.9Å; Q151-Q155 PolarHBondContact O-N 2.98Å; Q151-L160 HydrophobicContact CG-CD1 3.92Å; Q151-L160 HydrophobicContact CG-CD2 3.85Å; Q151-L165 HydrophobicContact CB-CD1 3.86Å; Q151-L165 HydrophobicContact CG-CD1 4.11Å
152	I	98.6	Very high	98.3	Very high	74 Å²	74	52.7 Å²	52.7	38%	0.379	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-46.5	177.4	-65.5	165.8	0	0	0	110.7	Q89 L148 M149 L150 A154 Q155 I156	Q89-I152 HydrophobicContact CG-CB 4.3Å; Q89-I152 HydrophobicContact CG-CD1 4.08Å; Q89-I152 HydrophobicContact CG-CG2 3.94Å; L148-I152 PolarHBondContact O-N 2.87Å; M149-I152 PolarHBondContact O-N 2.87Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 2.89Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 PolarHBondContact O-N 3.34Å; I152-Q155 WeakPolarHBondContact O-CB 3.27Å; I152-Q155 PolarHBondContact O-N 3.13Å; I152-Q155 VanDerWaalsContact O-N 3.12Å; I152-I156 HydrophobicContact CG2-CD1 4.24Å; I152-I156 WeakPolarHBondContact O-CG1 3.48Å; I152-I156 PolarHBondContact O-N 3.42Å
153	N	98.7	Very high	98.4	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.4	-43.8	179.3	-65.4	-16.7	0	0	0	110.8	V88 Q89 V123 I128 M149 L150 Q155 I156 Y157	V88-N153 WeakPolarHBondContact CA-OD1 3.39Å; Q89-N153 PolarHBondContact N-OD1 3.35Å; Q89-N153 PolarHBondContact O-ND2 2.9Å; V123-N153 PolarHBondContact O-ND2 2.8Å; I128-N153 HydrophobicContact CD1-CB 3.55Å; M149-N153 WeakPolarHBondContact O-CB 3.47Å; M149-N153 PolarHBondContact O-N 2.96Å; M149-N153 PolarHBondContact O-ND2 2.94Å; M149-N153 PolarHBondContact O-OD1 3.02Å; L150-N153 PolarHBondContact O-N 2.98Å; N153-Q155 VanDerWaalsContact C-N 3.28Å; N153-Q155 PolarHBondContact O-N 3.31Å; N153-I156 WeakPolarHBondContact O-CB 3.42Å; N153-I156 PolarHBondContact O-N 2.96Å; N153-Y157 WeakPolarHBondContact O-CD2 3.42Å; N153-Y157 PolarHBondContact O-N 2.77Å
154	A	98.8	Very high	98.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-33.5	175.3	0	0	0	0	0	113.1	I128 L150 I152 Y157 G158 V159 L160 I163	I128-A154 HydrophobicContact CG1-CB 4.23Å; L150-A154 HydrophobicContact CD2-CB 4.25Å; L150-A154 VanDerWaalsContact O-CB 3.31Å; L150-A154 WeakPolarHBondContact O-CB 3.49Å; L150-A154 PolarHBondContact O-N 2.8Å; I152-A154 VanDerWaalsContact C-N 3.34Å; I152-A154 PolarHBondContact O-N 3.34Å; A154-Y157 PolarHBondContact O-N 3.41Å; A154-G158 PolarHBondContact O-N 2.8Å; A154-V159 HydrophobicContact CB-CG2 4.32Å; A154-V159 PolarHBondContact O-N 2.81Å; A154-L160 HydrophobicContact CB-CB 4.08Å; A154-L160 HydrophobicContact CB-CD1 4.07Å; A154-L160 PolarHBondContact O-N 2.86Å; A154-I163 HydrophobicContact CB-CD1 3.58Å
155	Q	98.6	Very high	98.6	Very high	132 Å²	132	48.7 Å²	48.7	62%	0.617	27%	0.272	S	S	*	.	H	α-helix	trans	-67.5	-41.5	174	-174.7	177.5	-13.2	0	0	111.9	Q151 I152 N153 Y157 G158	Q151-Q155 PolarHBondContact O-N 2.98Å; I152-Q155 WeakPolarHBondContact O-CB 3.27Å; I152-Q155 PolarHBondContact O-N 3.13Å; I152-Q155 VanDerWaalsContact O-N 3.12Å; N153-Q155 VanDerWaalsContact C-N 3.28Å; N153-Q155 PolarHBondContact O-N 3.31Å; Q155-Y157 PolarHBondContact O-N 2.83Å; Q155-G158 PolarHBondContact O-N 2.83Å
156	I	98.4	Very high	98.6	Very high	32 Å²	32	47 Å²	47	16%	0.164	26%	0.26	C	S	.	.	H	α-helix	trans	-58.5	-38.9	175.2	-69	166.4	0	0	0	111.2	R83 E86 G87 V88 I152 N153 G158	R83-I156 HydrophobicContact CB-CG2 4.17Å; R83-I156 PolarHBondContact NH1-O 2.9Å; E86-I156 HydrophobicContact CB-CG2 3.76Å; G87-I156 WeakPolarHBondContact O-CD1 3.05Å; V88-I156 HydrophobicContact CG2-CD1 4.15Å; I152-I156 HydrophobicContact CG2-CD1 4.24Å; I152-I156 WeakPolarHBondContact O-CG1 3.48Å; I152-I156 PolarHBondContact O-N 3.42Å; N153-I156 WeakPolarHBondContact O-CB 3.42Å; N153-I156 PolarHBondContact O-N 2.96Å; I156-G158 VanDerWaalsContact C-N 3.33Å
157	Y	98.5	Very high	98.6	Very high	17 Å²	17	48.2 Å²	48.2	7%	0.067	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.8	177.4	-78.3	-100.1	0	0	0	113.9	F81 R83 V88 E101 I128 N153 A154 Q155 V159	F81-Y157 AromaticContact CD1-CE2 3.83Å; F81-Y157 HydrophobicContact CD1-CE2 3.83Å; F81-Y157 AromaticContact CD1-CZ 3.99Å; F81-Y157 HydrophobicContact CE1-CE2 4.48Å; R83-Y157 HydrophobicContact CB-CE2 4.03Å; R83-Y157 HydrophobicContact CG-CE1 4.15Å; R83-Y157 HydrophobicContact CG-CE2 4.44Å; R83-Y157 PolarHBondContact N-OH 2.86Å; V88-Y157 HydrophobicContact CG2-CE2 4.44Å; E101-Y157 WeakPolarHBondContact OE1-CE1 3.47Å; E101-Y157 PolarHBondContact OE1-OH 3.07Å; E101-Y157 PolarHBondContact OE2-OH 2.86Å; I128-Y157 HydrophobicContact CD1-CD2 4.21Å; I128-Y157 HydrophobicContact CG2-CD1 3.7Å; I128-Y157 HydrophobicContact CG2-CD2 3.92Å; I128-Y157 HydrophobicContact CG2-CE1 4.35Å; I128-Y157 HydrophobicContact CG2-CG 3.44Å; I128-Y157 VanDerWaalsContact CG2-CG 3.44Å; N153-Y157 WeakPolarHBondContact O-CD2 3.42Å; N153-Y157 PolarHBondContact O-N 2.77Å; A154-Y157 PolarHBondContact O-N 3.41Å; Q155-Y157 PolarHBondContact O-N 2.83Å; Y157-V159 VanDerWaalsContact C-N 3.35Å
158	G	98.5	Very high	98.5	Very high	61 Å²	61	48.6 Å²	48.6	63%	0.629	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	24.7	178.4	0	0	0	0	0	114.5	A154 Q155 I156	A154-G158 PolarHBondContact O-N 2.8Å; Q155-G158 PolarHBondContact O-N 2.83Å; I156-G158 VanDerWaalsContact C-N 3.33Å
159	V	98.7	Very high	98.4	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.067	28%	0.276	C	S	.	.			trans	-117.3	3.4	-174	-63.6	0	0	0	0	114.2	I128 A131 R132 A154 Y157 S161 N162 I163	I128-V159 HydrophobicContact CB-CG2 4.43Å; I128-V159 HydrophobicContact CG1-CG2 4.43Å; I128-V159 HydrophobicContact CG2-CG2 4.04Å; A131-V159 HydrophobicContact CB-CB 3.83Å; A131-V159 HydrophobicContact CB-CG2 3.98Å; R132-V159 HydrophobicContact CG-CG1 3.69Å; A154-V159 HydrophobicContact CB-CG2 4.32Å; A154-V159 PolarHBondContact O-N 2.81Å; Y157-V159 VanDerWaalsContact C-N 3.35Å; V159-S161 PolarHBondContact O-N 2.99Å; V159-S161 VanDerWaalsContact O-N 3.14Å; V159-N162 PolarHBondContact O-N 3.48Å; V159-I163 HydrophobicContact CG2-CD1 4.04Å
160	L	98.7	Very high	98.3	Very high	48 Å²	48	46.1 Å²	46.1	25%	0.251	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-55.7	-33.6	-177.2	-179.5	61.1	0	0	0	113.3	Q151 A154 N162 I163 L165	Q151-L160 HydrophobicContact CG-CD1 3.92Å; Q151-L160 HydrophobicContact CG-CD2 3.85Å; A154-L160 HydrophobicContact CB-CB 4.08Å; A154-L160 HydrophobicContact CB-CD1 4.07Å; A154-L160 PolarHBondContact O-N 2.86Å; L160-N162 PolarHBondContact O-N 2.94Å; L160-N162 VanDerWaalsContact O-N 3.14Å; L160-I163 PolarHBondContact O-N 2.91Å; L160-I163 VanDerWaalsContact O-N 3.1Å; L160-L165 HydrophobicContact CD1-CD1 4.3Å
161	S	98.5	Very high	98.1	Very high	106 Å²	106	48 Å²	48	74%	0.741	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-61.6	-20.4	177.3	56.9	0	0	0	0	114	V159	V159-S161 PolarHBondContact O-N 2.99Å; V159-S161 VanDerWaalsContact O-N 3.14Å
162	N	98.8	Very high	97.9	Very high	56 Å²	56	51.4 Å²	51.4	30%	0.299	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-100.1	9.6	-177.9	-56.4	-4.6	0	0	0	111.5	A131 L136 V137 V159 L160	A131-N162 HydrophobicContact CB-CB 4.12Å; A131-N162 PolarHBondContact O-ND2 3.46Å; L136-N162 WeakPolarHBondContact CA-O 3.3Å; V137-N162 PolarHBondContact N-O 3.11Å; V159-N162 PolarHBondContact O-N 3.48Å; L160-N162 PolarHBondContact O-N 2.94Å; L160-N162 VanDerWaalsContact O-N 3.14Å
163	I	98.9	Very high	97.8	Very high	14 Å²	14	49.2 Å²	49.2	7%	0.072	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121	-176	-59.7	162.4	0	0	0	109.8	T127 A131 V137 A139 L150 A154 V159 L160 L165	T127-I163 HydrophobicContact CG2-CD1 3.77Å; T127-I163 HydrophobicContact CG2-CG1 3.95Å; T127-I163 HydrophobicContact CG2-CG2 3.82Å; A131-I163 HydrophobicContact CB-CD1 3.72Å; A131-I163 HydrophobicContact CB-CG1 3.5Å; A131-I163 VanDerWaalsContact CB-CG1 3.5Å; V137-I163 HydrophobicContact CB-CG1 4.44Å; V137-I163 CarbonylContact O-C 3.6Å; V137-I163 WeakPolarHBondContact O-CA 3.48Å; A139-I163 HydrophobicContact CB-CG2 3.81Å; L150-I163 HydrophobicContact CD2-CG2 4.4Å; A154-I163 HydrophobicContact CB-CD1 3.58Å; V159-I163 HydrophobicContact CG2-CD1 4.04Å; L160-I163 PolarHBondContact O-N 2.91Å; L160-I163 VanDerWaalsContact O-N 3.1Å; I163-L165 HydrophobicContact CG2-CD2 3.66Å; I163-L165 HydrophobicContact CG2-CG 4.2Å
164	M	98.7	Very high	97.6	Very high	99 Å²	99	49.2 Å²	49.2	49%	0.488	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	112.3	167.1	-176.8	-179.6	-65.5	0	0	109.1	L136 V137 L138 A139 V166	L136-M164 HydrophobicContact CD1-CB 4.26Å; L136-M164 HydrophobicContact CD2-CE 4.33Å; V137-M164 PolarHBondContact O-N 2.81Å; L138-M164 HydrophobicContact CD1-CB 3.96Å; L138-M164 HydrophobicContact CD1-CG 3.72Å; L138-M164 HydrophobicContact CD1-SD 3.49Å; L138-M164 WeakPolarHBondContact CD1-SD 3.47Å; A139-M164 PolarHBondContact N-O 3.44Å; M164-V166 HydrophobicContact CG-CG2 4.46Å
165	L	98.8	Very high	97.2	Very high	52 Å²	52	51.2 Å²	51.2	27%	0.272	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	126.4	-179	-62.3	173	0	0	0	110.7	A139 L147 L150 Q151 L160 I163	A139-L165 HydrophobicContact CB-CD2 4.23Å; L147-L165 HydrophobicContact CD1-CB 3.98Å; L147-L165 HydrophobicContact CD1-CD2 3.77Å; L147-L165 HydrophobicContact CD1-CG 4.38Å; L147-L165 HydrophobicContact CD2-CB 4.24Å; L147-L165 HydrophobicContact CG-CB 4.22Å; L147-L165 HydrophobicContact CG-CD2 4.39Å; L150-L165 HydrophobicContact CD1-CD2 4.02Å; L150-L165 HydrophobicContact CD2-CD2 3.44Å; L150-L165 VanDerWaalsContact CD2-CD2 3.44Å; L150-L165 HydrophobicContact CG-CD2 4.23Å; Q151-L165 HydrophobicContact CB-CD1 3.86Å; Q151-L165 HydrophobicContact CG-CD1 4.11Å; L160-L165 HydrophobicContact CD1-CD1 4.3Å; I163-L165 HydrophobicContact CG2-CD2 3.66Å; I163-L165 HydrophobicContact CG2-CG 4.2Å
166	V	98.5	Very high	96.8	Very high	40 Å²	40	49.7 Å²	49.7	24%	0.242	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	114.9	174.9	-175.3	0	0	0	0	110	L138 A139 I140 E141 M164 I173	L138-V166 HydrophobicContact CD1-CG2 3.53Å; L138-V166 HydrophobicContact CG-CG2 4.38Å; A139-V166 PolarHBondContact O-N 2.97Å; I140-V166 WeakPolarHBondContact CA-O 3.33Å; E141-V166 PolarHBondContact N-O 3.29Å; E141-V166 VanDerWaalsContact N-O 3.15Å; M164-V166 HydrophobicContact CG-CG2 4.46Å; V166-I173 HydrophobicContact CB-CD1 4.37Å; V166-I173 HydrophobicContact CG1-CD1 3.49Å; V166-I173 VanDerWaalsContact CG1-CD1 3.49Å; V166-I173 HydrophobicContact CG1-CG1 4.07Å; V166-I173 HydrophobicContact CG1-CG2 4.47Å
167	C	98.2	Very high	96.4	Very high	63 Å²	63	51 Å²	51	43%	0.426	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.6	171.6	-166.3	0	0	0	0	109.7	E141 F144 L147	E141-C167 CarbonylContact O-C 3.57Å; E141-C167 VanDerWaalsContact O-CA 3.25Å; E141-C167 WeakPolarHBondContact O-CA 3.41Å; F144-C167 HydrophobicContact CD2-CB 4.48Å; L147-C167 HydrophobicContact CD2-CB 3.67Å
168	G	97	Very high	95.4	Very high	21 Å²	21	52.2 Å²	52.2	22%	0.216	31%	0.309	C	S	.	.	S	Bend	trans	165.9	-177.3	172.7	0	0	0	0	0	115.3	E141 N142	E141-G168 PolarHBondContact O-N 3.3Å; N142-G168 WeakPolarHBondContact CA-O 3.39Å; N142-G168 WeakPolarHBondContact CB-O 3.4Å
169	D	95.7	Very high	93.9	Very high	53 Å²	53	54 Å²	54	28%	0.283	30%	0.304	S	S	.	.			trans	-74.1	129.7	178.6	179.1	-94.6	0	0	0	111.1	E171 K172 I173	D169-E171 VanDerWaalsContact C-N 3.3Å; D169-E171 PolarHBondContact O-N 2.75Å; D169-E171 WeakPolarHBondContact OD1-CA 3.41Å; D169-E171 VanDerWaalsContact OD1-CB 3.27Å; D169-E171 WeakPolarHBondContact OD1-CB 3.45Å; D169-E171 PolarHBondContact OD1-N 3.41Å; D169-K172 HydrophobicContact CB-CB 4.29Å; D169-K172 HydrophobicContact CB-CD 4.22Å; D169-K172 HydrophobicContact CB-CG 4.18Å; D169-K172 PolarHBondContact O-N 2.88Å; D169-K172 PolarHBondContact OD1-N 2.77Å; D169-I173 WeakPolarHBondContact O-CG1 3.49Å; D169-I173 PolarHBondContact O-N 2.93Å
170	V	96.4	Very high	91.9	Very high	10 Å²	10	58.4 Å²	58.4	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-60.4	-38.3	-176.2	67.5	0	0	0	0	112.4	A119 F120 I140 L174 F347 A351	A119-V170 HydrophobicContact CB-CG2 3.78Å; A119-V170 WeakPolarHBondContact O-CG2 3.46Å; F120-V170 HydrophobicContact CE1-CB 4.47Å; F120-V170 HydrophobicContact CE1-CG1 3.99Å; F120-V170 HydrophobicContact CE2-CG2 4.48Å; F120-V170 HydrophobicContact CZ-CG1 3.99Å; F120-V170 HydrophobicContact CZ-CG2 4.24Å; I140-V170 HydrophobicContact CG2-CB 4.46Å; V170-L174 HydrophobicContact CG2-CD1 3.73Å; V170-L174 HydrophobicContact CG2-CG 4.17Å; V170-L174 VanDerWaalsContact O-CB 3.28Å; V170-L174 WeakPolarHBondContact O-CB 3.5Å; V170-L174 WeakPolarHBondContact O-CG 3.36Å; V170-L174 PolarHBondContact O-N 3.44Å; V170-F347 HydrophobicContact CG1-CB 4.45Å; V170-A351 HydrophobicContact CG2-CB 4.42Å
171	E	94.2	Very high	89.7	Confident	38 Å²	38	63.6 Å²	63.6	18%	0.178	36%	0.357	C	S	.	.	H	α-helix	trans	-67.7	-44.9	-179.1	-57.2	176.7	-154.9	0	0	110.3	D169 S175 K350 I354	D169-E171 VanDerWaalsContact C-N 3.3Å; D169-E171 PolarHBondContact O-N 2.75Å; D169-E171 WeakPolarHBondContact OD1-CA 3.41Å; D169-E171 VanDerWaalsContact OD1-CB 3.27Å; D169-E171 WeakPolarHBondContact OD1-CB 3.45Å; D169-E171 PolarHBondContact OD1-N 3.41Å; E171-S175 VanDerWaalsContact O-CB 3.23Å; E171-S175 WeakPolarHBondContact O-CB 3.28Å; E171-S175 PolarHBondContact O-N 3.35Å; E171-S175 PolarHBondContact O-OG 3.4Å; E171-K350 HydrophobicContact CG-CB 4.16Å; E171-K350 WeakPolarHBondContact OE1-CD 3.3Å; E171-K350 IonicContact OE1-NZ 3.39Å; E171-K350 PolarHBondContact OE1-NZ 2.92Å; E171-K350 WeakPolarHBondContact OE2-CD 3.25Å; E171-K350 IonicContact OE2-NZ 2.91Å; E171-K350 PolarHBondContact OE2-NZ 3.02Å; E171-I354 HydrophobicContact CB-CD1 3.65Å; E171-I354 HydrophobicContact CG-CD1 4.08Å
172	K	94.7	Very high	87.4	Confident	153 Å²	153	67.2 Å²	67.2	67%	0.665	36%	0.36	S	S	*	.	H	α-helix	trans	-65.2	-44.7	178.9	-66.1	-175	-177.1	-178.7	0	112.3	D169 S175 S176	D169-K172 HydrophobicContact CB-CB 4.29Å; D169-K172 HydrophobicContact CB-CD 4.22Å; D169-K172 HydrophobicContact CB-CG 4.18Å; D169-K172 PolarHBondContact O-N 2.88Å; D169-K172 PolarHBondContact OD1-N 2.77Å; K172-S175 PolarHBondContact O-N 2.89Å; K172-S176 PolarHBondContact O-N 3.01Å; K172-S176 VanDerWaalsContact O-N 3.09Å; K172-S176 PolarHBondContact O-OG 3.48Å
173	I	96.3	Very high	85	Confident	28 Å²	28	69.3 Å²	69.3	14%	0.144	38%	0.379	C	S	.	.	H	α-helix	trans	-66.4	-51.4	-179	-66.4	162.5	0	0	0	110	I140 V166 D169 S175 S176 L177	I140-I173 HydrophobicContact CB-CD1 4.46Å; I140-I173 HydrophobicContact CD1-CB 4.07Å; I140-I173 HydrophobicContact CD1-CG2 3.49Å; I140-I173 VanDerWaalsContact CD1-CG2 3.49Å; I140-I173 HydrophobicContact CG1-CD1 4.28Å; I140-I173 HydrophobicContact CG1-CG2 4Å; I140-I173 HydrophobicContact CG2-CD1 3.49Å; I140-I173 VanDerWaalsContact CG2-CD1 3.49Å; V166-I173 HydrophobicContact CB-CD1 4.37Å; V166-I173 HydrophobicContact CG1-CD1 3.49Å; V166-I173 VanDerWaalsContact CG1-CD1 3.49Å; V166-I173 HydrophobicContact CG1-CG1 4.07Å; V166-I173 HydrophobicContact CG1-CG2 4.47Å; D169-I173 WeakPolarHBondContact O-CG1 3.49Å; D169-I173 PolarHBondContact O-N 2.93Å; I173-S175 VanDerWaalsContact C-N 3.26Å; I173-S175 PolarHBondContact O-N 2.99Å; I173-S176 WeakPolarHBondContact O-CB 3.41Å; I173-S176 PolarHBondContact O-N 3.39Å; I173-L177 HydrophobicContact CG2-CD1 4.26Å; I173-L177 WeakPolarHBondContact O-CG 3.41Å; I173-L177 PolarHBondContact O-N 3.07Å
174	L	94	Very high	82.3	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	41%	0.414	C	S	.	.	H	α-helix	trans	-60.6	-36.5	179.1	-69.6	176.2	0	0	0	112.2	V117 I140 V170 S176 L177 I298 A351 I354 S355 V358	V117-L174 HydrophobicContact CG1-CD2 4.15Å; I140-L174 HydrophobicContact CD1-CD2 4.32Å; V170-L174 HydrophobicContact CG2-CD1 3.73Å; V170-L174 HydrophobicContact CG2-CG 4.17Å; V170-L174 VanDerWaalsContact O-CB 3.28Å; V170-L174 WeakPolarHBondContact O-CB 3.5Å; V170-L174 WeakPolarHBondContact O-CG 3.36Å; V170-L174 PolarHBondContact O-N 3.44Å; L174-S176 VanDerWaalsContact C-N 3.28Å; L174-S176 PolarHBondContact O-N 2.56Å; L174-L177 HydrophobicContact CD2-CD1 4.32Å; L174-L177 PolarHBondContact O-N 2.79Å; L174-I298 HydrophobicContact CD2-CD1 4.19Å; L174-A351 HydrophobicContact CD1-CB 4.33Å; L174-I354 HydrophobicContact CB-CB 4.34Å; L174-I354 HydrophobicContact CB-CG2 3.48Å; L174-I354 VanDerWaalsContact CB-CG2 3.48Å; L174-S355 WeakPolarHBondContact CD1-OG 3.33Å; L174-V358 WeakPolarHBondContact O-CG2 3.27Å
175	S	90.9	Very high	79.6	Confident	41 Å²	41	75.2 Å²	75.2	29%	0.287	43%	0.426	S	S	.	.	H	α-helix	trans	-65.5	-33.2	175.7	-61.6	0	0	0	0	112.4	E171 K172 I173 L177 R178	E171-S175 VanDerWaalsContact O-CB 3.23Å; E171-S175 WeakPolarHBondContact O-CB 3.28Å; E171-S175 PolarHBondContact O-N 3.35Å; E171-S175 PolarHBondContact O-OG 3.4Å; K172-S175 PolarHBondContact O-N 2.89Å; I173-S175 VanDerWaalsContact C-N 3.26Å; I173-S175 PolarHBondContact O-N 2.99Å; S175-L177 VanDerWaalsContact C-N 3.31Å; S175-R178 WeakPolarHBondContact O-CB 3.15Å; S175-R178 WeakPolarHBondContact O-CD 3.43Å; S175-R178 WeakPolarHBondContact O-CG 3.29Å; S175-R178 PolarHBondContact O-N 2.94Å
176	S	90.5	Very high	76.9	Confident	100 Å²	100	77.5 Å²	77.5	70%	0.699	45%	0.447	S	S	*	.	H	α-helix	trans	-76.1	-18.7	178.7	-54.7	0	0	0	0	113.1	K172 I173 L174 R178	K172-S176 PolarHBondContact O-N 3.01Å; K172-S176 VanDerWaalsContact O-N 3.09Å; K172-S176 PolarHBondContact O-OG 3.48Å; I173-S176 WeakPolarHBondContact O-CB 3.41Å; I173-S176 PolarHBondContact O-N 3.39Å; L174-S176 VanDerWaalsContact C-N 3.28Å; L174-S176 PolarHBondContact O-N 2.56Å; S176-R178 VanDerWaalsContact C-N 3.27Å
177	L	89.4	Confident	74.2	Confident	61 Å²	61	80.4 Å²	80.4	32%	0.319	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.3	176.4	-65	170.7	0	0	0	113.2	L138 I173 L174 S175 I179 I295 V358	L138-L177 HydrophobicContact CD2-CD1 3.64Å; L138-L177 HydrophobicContact CD2-CD2 4.31Å; I173-L177 HydrophobicContact CG2-CD1 4.26Å; I173-L177 WeakPolarHBondContact O-CG 3.41Å; I173-L177 PolarHBondContact O-N 3.07Å; L174-L177 HydrophobicContact CD2-CD1 4.32Å; L174-L177 PolarHBondContact O-N 2.79Å; S175-L177 VanDerWaalsContact C-N 3.31Å; L177-I179 PolarHBondContact O-N 3.38Å; L177-I295 HydrophobicContact CB-CD1 4.02Å; L177-I295 HydrophobicContact CD1-CD1 3.89Å; L177-I295 HydrophobicContact CG-CD1 4.39Å; L177-V358 HydrophobicContact CB-CG1 4.14Å
178	R	77.2	Confident	71.4	Confident	42 Å²	42	82.3 Å²	82.3	16%	0.158	48%	0.479	C	S	.	.			trans	-66.4	130.1	178.1	-68.3	173.1	178.9	172.1	-6.2	110.1	S175 S176 V180 V358	S175-R178 WeakPolarHBondContact O-CB 3.15Å; S175-R178 WeakPolarHBondContact O-CD 3.43Å; S175-R178 WeakPolarHBondContact O-CG 3.29Å; S175-R178 PolarHBondContact O-N 2.94Å; S176-R178 VanDerWaalsContact C-N 3.27Å; R178-V180 PolarHBondContact O-N 3.15Å; R178-V180 VanDerWaalsContact O-N 3.15Å; R178-V358 HydrophobicContact CG-CG2 3.62Å
179	I	67.6	Low	68.6	Low	99 Å²	99	88.5 Å²	88.5	51%	0.508	51%	0.505	S	S	.	.			trans	-75.4	104.6	170.4	-60.3	171.6	0	0	0	107.4	L177 L181 N292	L177-I179 PolarHBondContact O-N 3.38Å; I179-L181 HydrophobicContact CG2-CD2 4.4Å; I179-L181 HydrophobicContact CG2-CG 4.22Å; I179-L181 PolarHBondContact O-N 3.02Å; I179-N292 WeakPolarHBondContact CD1-O 3.41Å
180	V	57.4	Low	65.9	Low	103 Å²	103	92.8 Å²	92.8	62%	0.624	53%	0.528	S	S	*	.			trans	-78.9	98.7	164.5	-176.7	0	0	0	0	106.6	R178 F182	R178-V180 PolarHBondContact O-N 3.15Å; R178-V180 VanDerWaalsContact O-N 3.15Å; V180-F182 PolarHBondContact O-N 3.32Å
181	L	52.5	Low	63.1	Low	156 Å²	156	99.3 Å²	99.3	82%	0.817	56%	0.563	S	S	*	*			trans	-64.6	101.5	167.1	-75.9	165.8	0	0	0	107.2	I179 S183	I179-L181 HydrophobicContact CG2-CD2 4.4Å; I179-L181 HydrophobicContact CG2-CG 4.22Å; I179-L181 PolarHBondContact O-N 3.02Å; L181-S183 PolarHBondContact O-N 3.43Å
182	F	49.2	Very low	60.4	Low	182 Å²	182	104.8 Å²	104.8	80%	0.798	59%	0.593	S	S	*	*			trans	-63.6	106.5	167	-73.9	-82.3	0	0	0	107.3	V180 S184	V180-F182 PolarHBondContact O-N 3.32Å; F182-S184 PolarHBondContact O-N 3.02Å; F182-S184 VanDerWaalsContact O-N 3.08Å
183	S	48.9	Very low	57.6	Low	100 Å²	100	103.3 Å²	103.3	70%	0.699	60%	0.597	S	S	*	*			trans	-63.1	113.2	162.1	50.5	0	0	0	0	105.9	L181 T185	L181-S183 PolarHBondContact O-N 3.43Å; S183-T185 PolarHBondContact O-N 3.41Å
184	S	42.3	Very low	54.7	Low	116 Å²	116	109.5 Å²	109.5	81%	0.811	63%	0.631	S	S	*	*			trans	-64.5	95.2	170.6	-35.1	0	0	0	0	105.8	F182 S186	F182-S184 PolarHBondContact O-N 3.02Å; F182-S184 VanDerWaalsContact O-N 3.08Å; S184-S186 PolarHBondContact O-N 2.85Å
185	T	42.1	Very low	51.5	Low	121 Å²	121	116.6 Å²	116.6	74%	0.742	67%	0.666	S	S	*	*			trans	-65	93.5	163.9	51.3	0	0	0	0	105.2	S183 S187	S183-T185 PolarHBondContact O-N 3.41Å; T185-S187 PolarHBondContact O-N 2.82Å
186	S	41.3	Very low	48.8	Very low	101 Å²	101	120 Å²	120	71%	0.706	69%	0.687	S	S	*	*			trans	-60.2	89.8	162.1	171.1	0	0	0	0	105.8	S184 T188	S184-S186 PolarHBondContact O-N 2.85Å; S186-T188 VanDerWaalsContact C-N 3.25Å; S186-T188 PolarHBondContact O-N 2.86Å
187	S	43.4	Very low	45.9	Very low	100 Å²	100	122.1 Å²	122.1	70%	0.699	69%	0.69	S	S	*	*			trans	-63.3	93.7	169.5	54	0	0	0	0	106.9	T185 I189	T185-S187 PolarHBondContact O-N 2.82Å; S187-I189 PolarHBondContact O-N 3.05Å
188	T	38.2	Very low	43.1	Very low	104 Å²	104	124.8 Å²	124.8	64%	0.638	71%	0.714	S	S	*	*			trans	-61.6	120.3	156.5	44.3	0	0	0	0	106.1	S186 D190	S186-T188 VanDerWaalsContact C-N 3.25Å; S186-T188 PolarHBondContact O-N 2.86Å; T188-D190 PolarHBondContact O-N 2.86Å
189	I	38.6	Very low	40.8	Very low	151 Å²	151	131.5 Å²	131.5	77%	0.774	75%	0.747	S	S	*	*			trans	-65.1	93	171.6	-60.2	165.4	0	0	0	105.6	S187	S187-I189 PolarHBondContact O-N 3.05Å
190	D	38.5	Very low	39	Very low	143 Å²	143	134.8 Å²	134.8	77%	0.765	77%	0.766	S	S	*	*			trans	-100.9	95.6	158.4	-73.2	-32	0	0	0	106	T188 D192	T188-D190 PolarHBondContact O-N 2.86Å; D190-D192 PolarHBondContact O-N 3.22Å; D190-D192 VanDerWaalsContact O-N 3.07Å
191	D	38	Very low	37.4	Very low	146 Å²	146	138.8 Å²	138.8	78%	0.781	78%	0.777	S	S	*	*			trans	-52.5	104.4	156.6	-107.7	-26.8	0	0	0	106.9
192	D	37.7	Very low	36.2	Very low	154 Å²	154	142.5 Å²	142.5	82%	0.824	78%	0.782	S	S	*	*			trans	-155.7	97.1	146.7	-98	-29.7	0	0	0	109.6	D190 N194	D190-D192 PolarHBondContact O-N 3.22Å; D190-D192 VanDerWaalsContact O-N 3.07Å; D192-N194 PolarHBondContact O-N 2.96Å
193	T	34.9	Very low	35.1	Very low	122 Å²	122	137.8 Å²	137.8	75%	0.748	79%	0.785	S	S	*	*			trans	-30.1	116.8	152	24.3	0	0	0	0	112.3
194	N	36.4	Very low	34.1	Very low	158 Å²	158	137.4 Å²	137.4	85%	0.845	78%	0.783	S	S	*	*				-170.6	111.8	127.4	-92.4	-34.7	0	0	0	111.6	D192	D192-N194 PolarHBondContact O-N 2.96Å
195	M	26.6	Very low	33.4	Very low	149 Å²	149	139.5 Å²	139.5	73%	0.734	79%	0.785	S	S	*	*			trans	-68.7	137.7	165.7	-106.1	-85.6	82.4	0	0	110.5
196	P	34.5	Very low	32.9	Very low	113 Å²	113	140.6 Å²	140.6	73%	0.734	79%	0.786	S	S	*	*				-132.2	137	129.2	28	-12.2	0	0	0	112.5
197	N	29.3	Very low	32.3	Very low	144 Å²	144	143.8 Å²	143.8	77%	0.77	79%	0.794	S	S	*	*			trans	-65.5	135.4	174	-60.3	-45	0	0	0	111.7
198	S	31.4	Very low	31.5	Very low	117 Å²	117	147.7 Å²	147.7	82%	0.818	80%	0.801	S	S	*	*			trans	-170.4	125.2	131.6	55.5	0	0	0	0	111.1
199	E	27.3	Very low	31	Very low	182 Å²	182	146.5 Å²	146.5	85%	0.85	80%	0.802	S	S	*	*			trans	-43.3	131.3	176.5	-63.3	160.5	163.4	0	0	114.5
200	N	29.6	Very low	30.3	Very low	168 Å²	168	145.7 Å²	145.7	90%	0.898	81%	0.805	S	S	*	*			trans	-149.1	104.2	146.9	-90.8	-35.8	0	0	0	108.3
201	Q	25.4	Very low	29.7	Very low	187 Å²	187	147.8 Å²	147.8	87%	0.874	81%	0.807	S	S	*	*			trans	-78.1	113.9	175	-74	173.2	-13	0	0	109.3
202	Y	25.6	Very low	29.1	Very low	234 Å²	234	148.9 Å²	148.9	92%	0.918	81%	0.811	S	S	*	*			trans	-135	114.9	152.2	-106.9	-90.2	0	0	0	107.3	S204	Y202-S204 PolarHBondContact O-N 3.1Å
203	G	26.3	Very low	28.3	Very low	83 Å²	83	146.9 Å²	146.9	86%	0.856	81%	0.808	S	S	*	*			trans	-68.3	117.9	-176.8	0	0	0	0	0	110.9
204	S	29.2	Very low	27.9	Very low	93 Å²	93	145.7 Å²	145.7	65%	0.65	81%	0.805	S	S	*	*			trans	-102.3	120.5	163.1	57.7	0	0	0	0	108.2	Y202 N206	Y202-S204 PolarHBondContact O-N 3.1Å; S204-N206 PolarHBondContact O-N 2.83Å
205	D	28	Very low	27.6	Very low	160 Å²	160	144.3 Å²	144.3	86%	0.856	80%	0.804	S	S	*	*			trans	-59.5	104.6	174.5	-68.5	-38.2	0	0	0	109.7	L207	D205-L207 PolarHBondContact O-N 3.2Å; D205-L207 VanDerWaalsContact O-N 3.09Å
206	N	31.1	Very low	27.7	Very low	144 Å²	144	145 Å²	145	77%	0.77	81%	0.806	S	S	*	*			trans	-70.2	103.3	173	-73.2	-28.7	0	0	0	108.4	S204 E208	S204-N206 PolarHBondContact O-N 2.83Å; N206-E208 PolarHBondContact O-N 3.18Å
207	L	28	Very low	27.4	Very low	168 Å²	168	149.5 Å²	149.5	88%	0.88	81%	0.814	S	S	*	*			trans	-65.7	99.2	167	-121.9	78.4	0	0	0	108	D205 A209	D205-L207 PolarHBondContact O-N 3.2Å; D205-L207 VanDerWaalsContact O-N 3.09Å; L207-A209 PolarHBondContact O-N 3.41Å; L207-A209 VanDerWaalsContact O-N 3.15Å
208	E	26.6	Very low	27.4	Very low	181 Å²	181	149.9 Å²	149.9	85%	0.846	82%	0.816	S	S	*	*			trans	-63.8	113	169.2	-82.1	-175.7	155.6	0	0	109	N206 T210	N206-E208 PolarHBondContact O-N 3.18Å; E208-T210 PolarHBondContact O-N 2.92Å
209	A	28.9	Very low	27	Very low	80 Å²	80	152.9 Å²	152.9	66%	0.661	82%	0.817	S	S	*	*			trans	-65.1	98.7	172.2	0	0	0	0	0	109	L207 F211	L207-A209 PolarHBondContact O-N 3.41Å; L207-A209 VanDerWaalsContact O-N 3.15Å; A209-F211 WeakPolarHBondContact O-CD2 3.42Å; A209-F211 PolarHBondContact O-N 3.18Å
210	T	23.2	Very low	26.8	Very low	134 Å²	134	149.4 Å²	149.4	82%	0.822	81%	0.813	S	S	*	*			trans	-62.2	101.5	171.9	-9.8	0	0	0	0	109.2	E208 I212	E208-T210 PolarHBondContact O-N 2.92Å; T210-I212 PolarHBondContact O-N 2.62Å
211	F	26.2	Very low	26.7	Very low	187 Å²	187	148.1 Å²	148.1	82%	0.82	81%	0.811	S	S	*	*			trans	-63.8	114.8	166.6	-78	-93.2	0	0	0	108.1	A209 C213	A209-F211 WeakPolarHBondContact O-CD2 3.42Å; A209-F211 PolarHBondContact O-N 3.18Å; F211-C213 PolarHBondContact O-N 3.28Å
212	I	24.4	Very low	26.6	Very low	169 Å²	169	147.6 Å²	147.6	87%	0.867	81%	0.813	S	S	*	*			trans	-69.9	87.1	168.1	-57.9	174.6	0	0	0	106.3	T210	T210-I212 PolarHBondContact O-N 2.62Å
213	C	22.1	Very low	26.7	Very low	112 Å²	112	144.7 Å²	144.7	76%	0.757	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-81.8	119.6	170.2	-154.4	0	0	0	0	107.9	F211	F211-C213 PolarHBondContact O-N 3.28Å
214	S	25.4	Very low	26.6	Very low	97 Å²	97	146.5 Å²	146.5	68%	0.678	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-53.9	138.6	174.8	-57.3	0	0	0	0	110.7	E216	S214-E216 PolarHBondContact O-N 2.55Å
215	P	30	Very low	26.4	Very low	128 Å²	128	145.2 Å²	145.2	83%	0.831	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.4	117.3	-169.7	26.1	-32.8	0	0	0	111.4
216	E	28.9	Very low	26.4	Very low	164 Å²	164	145 Å²	145	77%	0.766	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-67.5	131.3	168.6	-72	-171.4	154.8	0	0	110.3	S214 N218	S214-E216 PolarHBondContact O-N 2.55Å; E216-N218 VanDerWaalsContact C-N 3.34Å; E216-N218 PolarHBondContact O-N 3.44Å
217	K	27.5	Very low	26	Very low	207 Å²	207	145.7 Å²	145.7	90%	0.9	82%	0.816	S	S	*	*			trans	-63.6	86	176.6	-75.9	176.3	173.6	175.1	0	110.8	Q219	K217-Q219 PolarHBondContact O-N 2.77Å
218	N	29.7	Very low	26.1	Very low	153 Å²	153	147 Å²	147	82%	0.818	82%	0.818	S	S	*	*			trans	-87.7	111	168.8	-80.2	-28.4	0	0	0	110.9	E216	E216-N218 VanDerWaalsContact C-N 3.34Å; E216-N218 PolarHBondContact O-N 3.44Å
219	Q	23.5	Very low	26	Very low	179 Å²	179	148 Å²	148	84%	0.836	82%	0.823	S	S	*	*			trans	-69	141.2	171.5	-71.1	174.7	-6.5	0	0	111.3	K217	K217-Q219 PolarHBondContact O-N 2.77Å
220	S	24	Very low	25.9	Very low	109 Å²	109	149.2 Å²	149.2	76%	0.762	83%	0.826	S	S	*	*			trans	71	116.2	154.1	77.6	0	0	0	0	118.7
221	T	27.4	Very low	26.1	Very low	142 Å²	142	149.5 Å²	149.5	87%	0.871	83%	0.827	S	S	*	*				-164.1	115.7	113.1	17.7	0	0	0	0	109.5	L223	T221-L223 PolarHBondContact O-N 3.19Å
222	L	22.8	Very low	26.2	Very low	175 Å²	175	148 Å²	148	92%	0.916	83%	0.828	S	S	*	*			trans	-60.6	121.1	172.1	-83	147.7	0	0	0	110.5
223	L	27.9	Very low	26.3	Very low	173 Å²	173	149.3 Å²	149.3	91%	0.906	83%	0.828	S	S	*	*			trans	-133.8	109.6	151.8	-75.5	176.2	0	0	0	109.3	T221	T221-L223 PolarHBondContact O-N 3.19Å
224	S	24.1	Very low	26.5	Very low	121 Å²	121	151.4 Å²	151.4	85%	0.846	83%	0.831	S	S	*	*			trans	-59.4	139.5	173.8	49.9	0	0	0	0	112.9
225	G	25.7	Very low	26.5	Very low	66 Å²	66	151.8 Å²	151.8	68%	0.68	83%	0.833	S	S	*	*			trans	174.3	72.1	167.8	0	0	0	0	0	115.9
226	N	27	Very low	26.3	Very low	156 Å²	156	153.7 Å²	153.7	83%	0.834	83%	0.831	S	S	*	*			trans	55	106.3	145.6	-58.8	-16	0	0	0	120.9
227	N	23.8	Very low	26.1	Very low	158 Å²	158	152.1 Å²	152.1	85%	0.845	83%	0.833	S	S	*	*				35.6	105.7	128.7	-71.9	-6.2	0	0	0	118.3
228	E	28.6	Very low	26	Very low	197 Å²	197	147.5 Å²	147.5	92%	0.921	83%	0.826	S	S	*	*			trans	-149.2	133.2	131.8	-111.8	168.1	-165.8	0	0	109.8	S230	E228-S230 PolarHBondContact O-N 3.02Å
229	Q	24.8	Very low	25.9	Very low	202 Å²	202	147.1 Å²	147.1	94%	0.944	82%	0.823	S	S	*	*			trans	-72.3	117	-168.5	-70.2	165.3	-21.6	0	0	110.9
230	S	27.3	Very low	26	Very low	105 Å²	105	145.2 Å²	145.2	73%	0.734	82%	0.819	S	S	*	*			trans	-135.6	96.4	164.6	65	0	0	0	0	110.8	E228	E228-S230 PolarHBondContact O-N 3.02Å
231	V	27	Very low	26.1	Very low	139 Å²	139	146.3 Å²	146.3	84%	0.842	82%	0.82	S	S	*	*			trans	24	112.2	144.4	-132.4	0	0	0	0	117.2	F233	V231-F233 PolarHBondContact O-N 3.08Å
232	D	27.5	Very low	26	Very low	155 Å²	155	147.1 Å²	147.1	83%	0.829	81%	0.814	S	S	*	*			trans	-57.6	113.7	-178.8	-64.3	-49.3	0	0	0	113.3	L234	D232-L234 PolarHBondContact O-N 2.97Å
233	F	27	Very low	26.4	Very low	197 Å²	197	145.3 Å²	145.3	86%	0.864	81%	0.805	S	S	*	*			trans	-82.8	102	162.1	-119.2	-96.8	0	0	0	107.7	V231 S235	V231-F233 PolarHBondContact O-N 3.08Å; F233-S235 VanDerWaalsContact C-N 3.33Å; F233-S235 PolarHBondContact O-N 3.3Å
234	L	25.9	Very low	26.3	Very low	157 Å²	157	144.1 Å²	144.1	82%	0.822	80%	0.8	S	S	*	*			trans	-76.1	85.9	173.6	-71	172.8	0	0	0	109.8	D232	D232-L234 PolarHBondContact O-N 2.97Å
235	S	25.8	Very low	26.4	Very low	104 Å²	104	145.2 Å²	145.2	73%	0.727	80%	0.795	S	S	*	*			trans	-94.2	76.8	163.9	62.6	0	0	0	0	109.5	F233	F233-S235 VanDerWaalsContact C-N 3.33Å; F233-S235 PolarHBondContact O-N 3.3Å
236	E	25.5	Very low	26.5	Very low	169 Å²	169	146.7 Å²	146.7	79%	0.79	80%	0.795	S	S	*	*			trans	-131.3	88.4	169.6	-75.2	-169	170	0	0	109.8
237	T	26.4	Very low	26.5	Very low	130 Å²	130	148.2 Å²	148.2	80%	0.798	79%	0.794	S	S	*	*			trans	-126.6	65.1	155.3	47	0	0	0	0	108.6	I239	T237-I239 VanDerWaalsContact C-N 3.32Å; T237-I239 PolarHBondContact O-N 2.86Å; T237-I239 VanDerWaalsContact O-N 3.07Å
238	S	25.4	Very low	26.7	Very low	110 Å²	110	145.4 Å²	145.4	77%	0.769	79%	0.787	S	S	*	*			trans	-68.2	93.5	156.4	45.4	0	0	0	0	108	N240	S238-N240 PolarHBondContact O-N 3.47Å
239	I	25.9	Very low	26.6	Very low	146 Å²	146	143.1 Å²	143.1	75%	0.749	78%	0.781	S	S	*	*			trans	-79	102.8	170.7	-64.1	172.6	0	0	0	106.8	T237 V241	T237-I239 VanDerWaalsContact C-N 3.32Å; T237-I239 PolarHBondContact O-N 2.86Å; T237-I239 VanDerWaalsContact O-N 3.07Å; I239-V241 PolarHBondContact O-N 3.44Å; I239-V241 VanDerWaalsContact O-N 3.16Å
240	N	26.1	Very low	26.7	Very low	139 Å²	139	142.9 Å²	142.9	74%	0.743	78%	0.777	S	S	*	*			trans	-61.3	111.6	166.5	-98.9	-20.1	0	0	0	108.6	S238 E242	S238-N240 PolarHBondContact O-N 3.47Å; N240-E242 VanDerWaalsContact C-N 3.27Å; N240-E242 PolarHBondContact O-N 3.32Å; N240-E242 VanDerWaalsContact O-N 3.1Å
241	V	26	Very low	26.6	Very low	131 Å²	131	145.1 Å²	145.1	79%	0.794	78%	0.781	S	S	*	*			trans	-76.3	85.5	164	-179	0	0	0	0	106.2	I239	I239-V241 PolarHBondContact O-N 3.44Å; I239-V241 VanDerWaalsContact O-N 3.16Å
242	E	26.7	Very low	26.5	Very low	160 Å²	160	143.9 Å²	143.9	75%	0.748	78%	0.778	S	S	*	*			trans	-106.7	123.1	162.7	-81.9	-172.1	170.6	0	0	109.3	N240 N244	N240-E242 VanDerWaalsContact C-N 3.27Å; N240-E242 PolarHBondContact O-N 3.32Å; N240-E242 VanDerWaalsContact O-N 3.1Å; E242-N244 PolarHBondContact O-N 3.26Å; E242-N244 VanDerWaalsContact O-N 3.17Å
243	D	29.9	Very low	26.6	Very low	136 Å²	136	142.1 Å²	142.1	73%	0.727	78%	0.778	S	S	*	*			trans	-46.2	108.9	179.9	-67.7	-52.3	0	0	0	112.7
244	N	26.4	Very low	26.5	Very low	149 Å²	149	140.4 Å²	140.4	80%	0.797	77%	0.773	S	S	*	*			trans	-110.3	80.4	156.7	-88.5	-46.6	0	0	0	109.5	E242 S246	E242-N244 PolarHBondContact O-N 3.26Å; E242-N244 VanDerWaalsContact O-N 3.17Å; N244-S246 PolarHBondContact O-N 3.2Å
245	I	26.4	Very low	26.5	Very low	144 Å²	144	144.2 Å²	144.2	74%	0.738	78%	0.776	S	S	*	*			trans	-64.9	78.5	157.1	-59.3	170	0	0	0	107.1
246	S	27.2	Very low	26.5	Very low	97 Å²	97	146.6 Å²	146.6	68%	0.678	78%	0.775	S	S	*	*			trans	-106.2	93.6	168.8	43.6	0	0	0	0	109.2	N244 S248	N244-S246 PolarHBondContact O-N 3.2Å; S246-S248 PolarHBondContact O-N 2.69Å
247	K	27.6	Very low	26.4	Very low	188 Å²	188	143.2 Å²	143.2	82%	0.817	77%	0.771	S	S	*	*			trans	-41.3	103.1	166.7	-65.6	167.6	176.1	172.6	0	111
248	S	27.4	Very low	26.5	Very low	99 Å²	99	142.9 Å²	142.9	69%	0.692	77%	0.773	S	S	*	*			trans	-96.7	103.1	161.4	61	0	0	0	0	108.7	S246 F250	S246-S248 PolarHBondContact O-N 2.69Å; S248-F250 PolarHBondContact O-N 3.39Å
249	N	25.7	Very low	26.6	Very low	149 Å²	149	143.2 Å²	143.2	80%	0.797	78%	0.776	S	S	*	*			trans	-52.3	105.6	167.7	-68.9	-31.2	0	0	0	109.9
250	F	27.2	Very low	27.5	Very low	196 Å²	196	142 Å²	142	86%	0.86	78%	0.777	S	S	*	*			trans	-101.1	104.8	160.5	-106.5	-87.5	0	0	0	108.3	S248 S252	S248-F250 PolarHBondContact O-N 3.39Å; F250-S252 PolarHBondContact O-N 3.41Å; F250-S252 VanDerWaalsContact O-N 3.12Å
251	N	25.9	Very low	27.6	Very low	152 Å²	152	140.2 Å²	140.2	81%	0.813	78%	0.776	S	S	*	*			trans	-56.5	111.1	172.7	-80.4	-28.8	0	0	0	109.6	S253	N251-S253 PolarHBondContact O-N 3.13Å
252	S	25.6	Very low	27.5	Very low	113 Å²	113	139.2 Å²	139.2	79%	0.79	78%	0.775	S	S	*	*			trans	-67.1	107.4	162.6	50.8	0	0	0	0	108.9	F250	F250-S252 PolarHBondContact O-N 3.41Å; F250-S252 VanDerWaalsContact O-N 3.12Å
253	S	28	Very low	27.6	Very low	118 Å²	118	140.4 Å²	140.4	83%	0.825	79%	0.785	S	S	*	*			trans	-82.6	113.6	163.6	36.5	0	0	0	0	109.1	N251	N251-S253 PolarHBondContact O-N 3.13Å
254	E	24.8	Very low	27.3	Very low	161 Å²	161	141.9 Å²	141.9	75%	0.752	79%	0.792	S	S	*	*			trans	-54.1	128.3	176.3	-63.8	165.4	140.4	0	0	112
255	R	26.5	Very low	27.2	Very low	237 Å²	237	138.3 Å²	138.3	89%	0.894	78%	0.784	S	S	*	*			trans	-136.4	93	147.3	-77.6	-167.6	-136.6	-140	2.4	110	S257	R255-S257 PolarHBondContact O-N 3.21Å
256	H	26.8	Very low	27.2	Very low	154 Å²	154	139.6 Å²	139.6	71%	0.713	79%	0.792	S	S	*	*			trans	2.9	105.1	136.4	-63.9	-65.9	0	0	0	114.7
257	S	23	Very low	26.9	Very low	99 Å²	99	141 Å²	141	69%	0.692	80%	0.796	S	S	*	*				80.5	104.6	87	72.2	0	0	0	0	114.1	R255	R255-S257 PolarHBondContact O-N 3.21Å
258	S	27.3	Very low	26.9	Very low	122 Å²	122	140.5 Å²	140.5	85%	0.853	80%	0.797	S	S	*	*			trans	-175.2	103.7	134.8	48.5	0	0	0	0	111.5
259	S	27.9	Very low	26.8	Very low	118 Å²	118	142.2 Å²	142.2	83%	0.825	80%	0.803	S	S	*	*			trans	-122.2	170.7	144.4	-36.5	0	0	0	0	104.9
260	P	46.3	Very low	26.8	Very low	119 Å²	119	141.7 Å²	141.7	77%	0.773	81%	0.806	S	S	*	*			cis	-138.9	178	-0.9	40.4	-22.4	0	0	0	113.6
261	S	26.9	Very low	26.6	Very low	102 Å²	102	140.3 Å²	140.3	71%	0.713	81%	0.807	S	S	*	*			trans	170.2	97.3	140.1	54.2	0	0	0	0	109.4
262	S	25.2	Very low	26.6	Very low	110 Å²	110	141.3 Å²	141.3	77%	0.769	81%	0.807	S	S	*	*				55.8	94.4	92.1	72.1	0	0	0	0	114.5
263	L	27.6	Very low	26.5	Very low	185 Å²	185	142.3 Å²	142.3	97%	0.969	81%	0.807	S	S	*	*			trans	-135.5	119.9	149.9	-80.8	176.5	0	0	0	109.5
264	L	23	Very low	26.3	Very low	168 Å²	168	143.2 Å²	143.2	88%	0.88	80%	0.803	S	S	*	*			trans	-81.6	159.3	-179.1	-90.6	151.8	0	0	0	111.7
265	A	25.5	Very low	26.5	Very low	74 Å²	74	141 Å²	141	61%	0.612	80%	0.803	S	S	*	*			trans	73.4	90.2	144.8	0	0	0	0	0	118.2
266	N	26	Very low	26.4	Very low	170 Å²	170	138.5 Å²	138.5	91%	0.909	80%	0.801	S	S	*	*			trans	-100.7	97.5	145.3	-73.9	-8.6	0	0	0	108.3
267	T	21.4	Very low	26.6	Very low	126 Å²	126	139.3 Å²	139.3	77%	0.773	81%	0.81	S	S	*	*			trans	-80.1	113.3	162.1	43.6	0	0	0	0	108.5
268	E	27	Very low	26.8	Very low	178 Å²	178	143 Å²	143	83%	0.832	82%	0.821	S	S	*	*			trans	-129.7	93.5	164	-80.4	-173.2	162	0	0	110.1
269	T	25.3	Very low	27	Very low	135 Å²	135	140.2 Å²	140.2	83%	0.828	81%	0.813	S	S	*	*			trans	20.5	99.4	140.2	41.6	0	0	0	0	117.8
270	T	24.8	Very low	27.1	Very low	138 Å²	138	143 Å²	143	85%	0.847	82%	0.818	S	S	*	*			trans	-79.5	121.7	160.1	6.7	0	0	0	0	109.2	E272	T270-E272 PolarHBondContact O-N 3.49Å
271	L	24.2	Very low	26.4	Very low	168 Å²	168	145.4 Å²	145.4	88%	0.88	82%	0.819	S	S	*	*			trans	-79.4	108.2	172.1	-76	165.4	0	0	0	109
272	E	25.1	Very low	26.5	Very low	173 Å²	173	147.1 Å²	147.1	81%	0.808	83%	0.825	S	S	*	*			trans	-74.9	118.5	172.7	-70.2	-177.6	159.2	0	0	110.5	T270	T270-E272 PolarHBondContact O-N 3.49Å
273	V	25	Very low	26.7	Very low	133 Å²	133	149 Å²	149	81%	0.806	83%	0.826	S	S	*	*			trans	-97.1	110.6	163.9	176.8	0	0	0	0	106.7	P275	V273-P275 VanDerWaalsContact O-CD 3.29Å; V273-P275 WeakPolarHBondContact O-CD 3.31Å
274	N	23.4	Very low	26.8	Very low	137 Å²	137	148.5 Å²	148.5	73%	0.733	82%	0.819	S	S	*	*			trans	-76	119.2	173.1	-82.9	-47.9	0	0	0	110.7
275	P	28.2	Very low	27	Very low	115 Å²	115	149.5 Å²	149.5	75%	0.747	82%	0.816	S	S	*	*			trans	-101.5	104.7	154.6	22.5	-2.2	0	0	0	108.1	V273 L277	V273-P275 VanDerWaalsContact O-CD 3.29Å; V273-P275 WeakPolarHBondContact O-CD 3.31Å; P275-L277 PolarHBondContact O-N 3.09Å; P275-L277 VanDerWaalsContact O-N 3.09Å
276	E	25.5	Very low	27.4	Very low	185 Å²	185	151.2 Å²	151.2	86%	0.864	82%	0.821	S	S	*	*			trans	-60.5	103.8	164.7	-67.9	178.4	160.3	0	0	109.5
277	L	29.8	Very low	27.6	Very low	170 Å²	170	149.3 Å²	149.3	89%	0.89	82%	0.816	S	S	*	*			trans	-143.5	107.3	153.4	-84.8	178.5	0	0	0	109.7	P275	P275-L277 PolarHBondContact O-N 3.09Å; P275-L277 VanDerWaalsContact O-N 3.09Å
278	N	27.7	Very low	28.4	Very low	176 Å²	176	150.7 Å²	150.7	94%	0.941	82%	0.819	S	S	*	*			trans	-58	129.7	168.2	-73.2	-41.4	0	0	0	110.9
279	G	31.7	Very low	29.1	Very low	65 Å²	65	146.4 Å²	146.4	67%	0.67	81%	0.808	S	S	*	*			trans	178.2	103.7	168.9	0	0	0	0	0	108.9	E281	G279-E281 VanDerWaalsContact C-N 3.28Å; G279-E281 PolarHBondContact O-N 3.08Å
280	N	30	Very low	30.2	Very low	176 Å²	176	146.3 Å²	146.3	94%	0.941	81%	0.807	S	S	*	*			trans	-62.4	83.1	-179	-68.7	-23.5	0	0	0	111.5
281	E	31.3	Very low	31.7	Very low	169 Å²	169	143.3 Å²	143.3	79%	0.79	78%	0.783	S	S	*	*			trans	-135.9	98.6	156.5	-72.9	-173.6	173.8	0	0	106.1	G279 L283	G279-E281 VanDerWaalsContact C-N 3.28Å; G279-E281 PolarHBondContact O-N 3.08Å; E281-L283 PolarHBondContact O-N 3.02Å
282	T	28.6	Very low	33.6	Very low	138 Å²	138	142.2 Å²	142.2	85%	0.847	78%	0.778	S	S	*	*			trans	-60.5	90	164.3	36.5	0	0	0	0	107.1	E284	T282-E284 PolarHBondContact O-N 3.28Å
283	L	30.1	Very low	36.2	Very low	151 Å²	151	135.2 Å²	135.2	79%	0.791	75%	0.748	S	S	*	*			trans	-65.3	88.2	168.1	-156.2	92.9	0	0	0	105.7	E281 K285	E281-L283 PolarHBondContact O-N 3.02Å; L283-K285 PolarHBondContact O-N 3.03Å
284	E	28.5	Very low	39.2	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.813	74%	0.744	S	S	*	*			trans	-52.4	111.6	168.8	-71.7	-171.6	158.1	0	0	106.2	T282 P286	T282-E284 PolarHBondContact O-N 3.28Å; E284-P286 WeakPolarHBondContact O-CD 3.41Å
285	K	28.1	Very low	42.6	Very low	188 Å²	188	129.3 Å²	129.3	82%	0.817	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-51.5	118.8	170.6	-84.3	179.3	176.7	175.8	0	105.1	L283 T287	L283-K285 PolarHBondContact O-N 3.03Å; K285-T287 PolarHBondContact O-N 3.24Å
286	P	33.8	Very low	45.8	Very low	111 Å²	111	126.1 Å²	126.1	72%	0.721	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-55.4	116.5	-179.5	20.9	-29.6	0	0	0	105.5	E284 N288	E284-P286 WeakPolarHBondContact O-CD 3.41Å; P286-N288 PolarHBondContact O-N 2.61Å
287	T	30.7	Very low	49.2	Very low	129 Å²	129	117.5 Å²	117.5	79%	0.791	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-47.2	116.1	172.2	48.1	0	0	0	0	105.1	K285 S289	K285-T287 PolarHBondContact O-N 3.24Å; T287-S289 PolarHBondContact O-N 2.74Å
288	N	37.8	Very low	52.4	Low	156 Å²	156	109.4 Å²	109.4	83%	0.834	61%	0.605	S	S	*	*			trans	-50.6	95.7	175.8	-88.8	-19.7	0	0	0	106	P286 T290	P286-N288 PolarHBondContact O-N 2.61Å; N288-T290 PolarHBondContact O-N 2.81Å
289	S	42.3	Very low	55.8	Low	88 Å²	88	101 Å²	101	62%	0.615	56%	0.561	S	S	*	*			trans	-63.3	98.4	170.1	55.5	0	0	0	0	102	T287 F291	T287-S289 PolarHBondContact O-N 2.74Å; S289-F291 VanDerWaalsContact C-N 3.26Å; S289-F291 PolarHBondContact O-N 2.9Å
290	T	48.3	Very low	59	Low	132 Å²	132	98 Å²	98	81%	0.81	53%	0.529	S	S	*	.			trans	-54.2	103.1	178.2	2.9	0	0	0	0	104.1	N288 N292	N288-T290 PolarHBondContact O-N 2.81Å; T290-N292 PolarHBondContact O-N 2.87Å
291	F	55.7	Low	62.2	Low	76 Å²	76	90.6 Å²	90.6	33%	0.333	49%	0.491	S	S	.	.			trans	-63.8	97	-177.6	-173.9	-89.4	0	0	0	104.9	S289 S293 H357	S289-F291 VanDerWaalsContact C-N 3.26Å; S289-F291 PolarHBondContact O-N 2.9Å; F291-S293 PolarHBondContact O-N 3.07Å; F291-H357 WeakPolarHBondContact CZ-O 3.41Å
292	N	64.8	Low	65.2	Low	145 Å²	145	82.7 Å²	82.7	78%	0.775	45%	0.454	S	S	*	.			trans	-81.4	65.4	-172.3	-157.4	24	0	0	0	108	I179 T290	I179-N292 WeakPolarHBondContact CD1-O 3.41Å; T290-N292 PolarHBondContact O-N 2.87Å
293	S	79.3	Confident	68.2	Low	26 Å²	26	78.8 Å²	78.8	18%	0.182	43%	0.431	C	S	.	.			trans	-65	131	172.1	179.1	0	0	0	0	108.7	F291 I295 V358	F291-S293 PolarHBondContact O-N 3.07Å; S293-I295 WeakPolarHBondContact CB-O 3.37Å; S293-I295 PolarHBondContact OG-N 3.37Å; S293-I295 PolarHBondContact OG-O 2.84Å; S293-V358 WeakPolarHBondContact CB-O 3.31Å; S293-V358 PolarHBondContact OG-O 2.88Å
294	L	88.4	Confident	70.9	Confident	137 Å²	137	73 Å²	73	72%	0.717	40%	0.399	S	S	*	.	S	Bend	trans	-69.3	-26.4	166.8	-172.7	68.2	0	0	0	111.4	L115	L115-L294 HydrophobicContact CD2-CD2 4.29Å; L115-L294 HydrophobicContact CD2-CG 3.97Å; L115-L294 WeakPolarHBondContact CD2-O 3.49Å
295	I	94.4	Very high	73.5	Confident	8 Å²	8	66.2 Å²	66.2	4%	0.041	38%	0.375	C	S	.	.			trans	-96.8	122	-175.4	-66	155	0	0	0	109.5	L115 V117 L177 S293 I298 V358 C359	L115-I295 HydrophobicContact CD2-CG1 3.87Å; L115-I295 HydrophobicContact CG-CG1 4.32Å; V117-I295 HydrophobicContact CB-CG2 4.5Å; V117-I295 HydrophobicContact CG2-CB 4.47Å; V117-I295 HydrophobicContact CG2-CD1 3.89Å; V117-I295 HydrophobicContact CG2-CG1 3.93Å; V117-I295 HydrophobicContact CG2-CG2 3.67Å; L177-I295 HydrophobicContact CB-CD1 4.02Å; L177-I295 HydrophobicContact CD1-CD1 3.89Å; L177-I295 HydrophobicContact CG-CD1 4.39Å; S293-I295 WeakPolarHBondContact CB-O 3.37Å; S293-I295 PolarHBondContact OG-N 3.37Å; S293-I295 PolarHBondContact OG-O 2.84Å; I295-I298 HydrophobicContact CG2-CD1 4.38Å; I295-I298 HydrophobicContact CG2-CG1 3.73Å; I295-V358 HydrophobicContact CD1-CG1 3.39Å; I295-C359 HydrophobicContact CG2-CB 4.16Å; I295-C359 PolarHBondContact O-SG 2.77Å
296	D	94.9	Very high	76.1	Confident	48 Å²	48	57.8 Å²	57.8	26%	0.257	34%	0.342	S	S	.	.	S	Bend	trans	-78.7	-43.3	-177.5	-67.1	-59	0	0	0	112.5	C113 D114 L115 C359	C113-D296 HydrophobicContact CB-CB 3.52Å; D114-D296 WeakPolarHBondContact CA-OD2 3.43Å; D114-D296 VanDerWaalsContact CB-OD2 3.31Å; D114-D296 WeakPolarHBondContact CB-OD2 3.28Å; D114-D296 PolarHBondContact N-OD2 3.14Å; L115-D296 PolarHBondContact N-OD2 3.03Å; L115-D296 WeakPolarHBondContact O-CB 3.39Å; L115-D296 PolarHBondContact O-N 3.44Å; D296-C359 PolarHBondContact O-SG 3.02Å
297	I	97	Very high	78.2	Confident	5 Å²	5	55 Å²	55	3%	0.026	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	138.7	-175.7	-62.8	175.9	0	0	0	109.8	C111 C113 L116 V117 K361 F421	C111-I297 HydrophobicContact CB-CD1 3.72Å; C111-I297 HydrophobicContact CB-CG2 4.28Å; C113-I297 HydrophobicContact CB-CD1 4.35Å; L116-I297 WeakPolarHBondContact CA-O 3.43Å; L116-I297 HydrophobicContact CD1-CB 4.22Å; L116-I297 HydrophobicContact CD1-CG2 4.06Å; L116-I297 HydrophobicContact CG-CB 4.47Å; V117-I297 PolarHBondContact N-O 3.02Å; I297-K361 WeakPolarHBondContact CA-O 3.39Å; I297-K361 HydrophobicContact CG1-CB 4Å; I297-K361 HydrophobicContact CG1-CD 4.14Å; I297-F421 HydrophobicContact CD1-CD1 4.45Å; I297-F421 HydrophobicContact CD1-CE1 3.93Å; I297-F421 HydrophobicContact CG1-CE1 4.36Å; I297-F421 HydrophobicContact CG2-CE1 4.42Å
298	I	97.9	Very high	80.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.2	165.6	-59.6	178.9	0	0	0	109	V117 A119 L174 I295 M300 S355 V358 C359 K361 I362 L363	V117-I298 HydrophobicContact CB-CG1 4.14Å; V117-I298 HydrophobicContact CB-CG2 4.43Å; V117-I298 HydrophobicContact CG2-CG1 4.43Å; A119-I298 HydrophobicContact CB-CG2 4.47Å; L174-I298 HydrophobicContact CD2-CD1 4.19Å; I295-I298 HydrophobicContact CG2-CD1 4.38Å; I295-I298 HydrophobicContact CG2-CG1 3.73Å; I298-M300 HydrophobicContact CG2-CE 3.8Å; I298-M300 HydrophobicContact CG2-CG 4.17Å; I298-S355 WeakPolarHBondContact CD1-OG 3.48Å; I298-V358 HydrophobicContact CD1-CB 4.3Å; I298-V358 HydrophobicContact CD1-CG1 4.29Å; I298-C359 HydrophobicContact CD1-CB 3.63Å; I298-C359 HydrophobicContact CG1-CB 3.74Å; I298-K361 PolarHBondContact N-O 3.21Å; I298-I362 CarbonylContact O-C 3.59Å; I298-I362 VanDerWaalsContact O-CA 3.27Å; I298-I362 WeakPolarHBondContact O-CA 3.39Å; I298-L363 PolarHBondContact O-N 3.1Å
299	F	98.7	Very high	82.1	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.3	169.3	176.1	-101.6	0	0	0	110.7	L116 V117 D118 A119 N126 F130 S301 L363	L116-F299 HydrophobicContact CD2-CB 4.28Å; V117-F299 PolarHBondContact O-N 2.83Å; D118-F299 WeakPolarHBondContact OD1-CD1 3.02Å; A119-F299 WeakPolarHBondContact CB-O 3.44Å; A119-F299 PolarHBondContact N-O 3.31Å; N126-F299 HydrophobicContact CB-CD1 4.33Å; N126-F299 HydrophobicContact CB-CE1 3.73Å; N126-F299 HydrophobicContact CB-CZ 4.15Å; N126-F299 WeakPolarHBondContact ND2-CE1 3.4Å; F130-F299 HydrophobicContact CE2-CB 3.79Å; F130-F299 AromaticContact CE2-CD1 3.53Å; F130-F299 HydrophobicContact CE2-CD1 3.53Å; F130-F299 HydrophobicContact CE2-CD2 4.05Å; F130-F299 HydrophobicContact CE2-CE1 4.06Å; F130-F299 AromaticContact CE2-CG 3.5Å; F130-F299 HydrophobicContact CE2-CG 3.5Å; F130-F299 VanDerWaalsContact CE2-CG 3.5Å; F130-F299 HydrophobicContact CZ-CB 3.89Å; F130-F299 HydrophobicContact CZ-CD1 4.03Å; F130-F299 AromaticContact CZ-CD2 3.66Å; F130-F299 HydrophobicContact CZ-CD2 3.66Å; F130-F299 HydrophobicContact CZ-CE1 4.47Å; F130-F299 HydrophobicContact CZ-CE2 4.15Å; F130-F299 AromaticContact CZ-CG 3.57Å; F130-F299 HydrophobicContact CZ-CG 3.57Å; F299-S301 WeakPolarHBondContact CE1-OG 3.31Å; F299-L363 CarbonylContact C-O 3.55Å; F299-L363 WeakPolarHBondContact CA-O 3.43Å; F299-L363 HydrophobicContact CD2-CB 4.08Å; F299-L363 HydrophobicContact CD2-CD2 3.7Å; F299-L363 HydrophobicContact CD2-CG 3.67Å; F299-L363 HydrophobicContact CE2-CD2 3.96Å; F299-L363 HydrophobicContact CE2-CG 3.98Å
300	M	98.5	Very high	83.3	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.7	176.9	-61.5	-175.9	-178.5	0	0	111.3	A119 F120 I298 A351 S355 I362 L363 I364 Y365	A119-M300 HydrophobicContact CB-CG 4.04Å; F120-M300 HydrophobicContact CD2-CB 4.14Å; F120-M300 HydrophobicContact CE2-CB 4.11Å; F120-M300 HydrophobicContact CE2-CG 4.28Å; I298-M300 HydrophobicContact CG2-CE 3.8Å; I298-M300 HydrophobicContact CG2-CG 4.17Å; M300-A351 HydrophobicContact CE-CB 4.04Å; M300-A351 HydrophobicContact SD-CB 4.1Å; M300-S355 VanDerWaalsContact CE-CB 3.43Å; M300-S355 WeakPolarHBondContact CE-OG 3.41Å; M300-I362 HydrophobicContact CE-CG2 4.24Å; M300-I362 HydrophobicContact SD-CG2 4.38Å; M300-L363 PolarHBondContact N-O 3.41Å; M300-I364 HydrophobicContact CB-CG1 4.36Å; M300-I364 HydrophobicContact CB-CG2 4.12Å; M300-I364 CarbonylContact O-C 3.59Å; M300-I364 WeakPolarHBondContact O-CA 3.47Å; M300-Y365 PolarHBondContact O-N 3.29Å
301	S	97	Very high	84.1	Confident	21 Å²	21	44.7 Å²	44.7	15%	0.147	26%	0.264	C	S	.	.			trans	-126.3	66.8	167.7	52.7	0	0	0	0	110.5	F120 F299	F120-S301 WeakPolarHBondContact CB-O 3.28Å; F120-S301 PolarHBondContact O-OG 3.2Å; F299-S301 WeakPolarHBondContact CE1-OG 3.31Å
302	P	95	Very high	84.6	Confident	3 Å²	3	46 Å²	46	2%	0.019	27%	0.269	C	S	.	.			trans	-60.7	156	-178.9	27.7	-35.4	0	0	0	111.1	F120 W304 I345 L348	F120-P302 HydrophobicContact CD1-CB 4.45Å; F120-P302 HydrophobicContact CD2-CB 4.22Å; F120-P302 HydrophobicContact CE1-CB 4.15Å; F120-P302 HydrophobicContact CE2-CB 3.91Å; F120-P302 HydrophobicContact CE2-CG 4.47Å; F120-P302 HydrophobicContact CG-CB 4.48Å; F120-P302 HydrophobicContact CZ-CB 3.87Å; P302-W304 PolarHBondContact O-N 3.43Å; P302-W304 VanDerWaalsContact O-N 3.11Å; P302-I345 HydrophobicContact CB-CG2 3.85Å; P302-I345 HydrophobicContact CG-CG2 3.79Å; P302-L348 HydrophobicContact CG-CB 4.16Å; P302-L348 HydrophobicContact CG-CD1 4.03Å
303	P	90.8	Very high	84.8	Confident	56 Å²	56	42.8 Å²	42.8	36%	0.364	26%	0.255	S	S	.	.	S	Bend	trans	-68.5	113.3	-178.9	27.7	-34	0	0	0	110.9
304	W	87.5	Confident	84.2	Confident	31 Å²	31	42.8 Å²	42.8	12%	0.117	25%	0.251	C	S	.	.			trans	-136.2	-5.5	173.6	55.1	-106.2	0	0	0	113.4	P302 Y309 K340 I345 Y365 L366 P367 A413	P302-W304 PolarHBondContact O-N 3.43Å; P302-W304 VanDerWaalsContact O-N 3.11Å; W304-Y309 HydrophobicContact CE3-CE1 4.25Å; W304-Y309 HydrophobicContact CZ3-CD1 4.13Å; W304-Y309 AromaticContact CZ3-CE1 3.56Å; W304-Y309 HydrophobicContact CZ3-CE1 3.56Å; W304-Y309 AromaticContact CZ3-CZ 3.94Å; W304-K340 WeakPolarHBondContact O-CD 3.24Å; W304-K340 WeakPolarHBondContact O-CE 3.3Å; W304-K340 PolarHBondContact O-NZ 2.92Å; W304-I345 HydrophobicContact CB-CD1 3.89Å; W304-I345 HydrophobicContact CB-CG1 4.04Å; W304-I345 HydrophobicContact CB-CG2 4.21Å; W304-I345 HydrophobicContact CG-CD1 4.3Å; W304-Y365 HydrophobicContact CH2-CD1 4.49Å; W304-Y365 AromaticContact CH2-CE1 4Å; W304-Y365 HydrophobicContact CH2-CE1 4Å; W304-Y365 AromaticContact CZ2-CD1 3.49Å; W304-Y365 HydrophobicContact CZ2-CD1 3.49Å; W304-Y365 VanDerWaalsContact CZ2-CD1 3.49Å; W304-Y365 AromaticContact CZ2-CE1 3.42Å; W304-Y365 HydrophobicContact CZ2-CE1 3.42Å; W304-Y365 VanDerWaalsContact CZ2-CE1 3.42Å; W304-Y365 PolarHBondContact NE1-O 3.39Å; W304-L366 VanDerWaalsContact CZ2-C 3.47Å; W304-L366 WeakPolarHBondContact CZ2-O 3.15Å; W304-P367 HydrophobicContact CB-CG 3.92Å; W304-P367 HydrophobicContact CD2-CB 4.25Å; W304-P367 HydrophobicContact CD2-CG 3.56Å; W304-P367 HydrophobicContact CE3-CB 3.93Å; W304-P367 HydrophobicContact CE3-CG 3.68Å; W304-P367 HydrophobicContact CG-CG 3.65Å; W304-P367 HydrophobicContact CZ3-CB 4.27Å; W304-P367 HydrophobicContact CZ3-CG 4.45Å; W304-A413 HydrophobicContact CH2-CB 4.15Å; W304-A413 HydrophobicContact CZ2-CB 4.21Å
305	G	83	Confident	83.1	Confident	30 Å²	30	39 Å²	39	31%	0.309	24%	0.235	S	C	.	.			trans	-82.7	-150.1	-177.8	0	0	0	0	0	113.5
306	G	83.3	Confident	81.7	Confident	12 Å²	12	45.1 Å²	45.1	12%	0.124	28%	0.276	C	S	.	.			trans	139.6	164.9	173	0	0	0	0	0	114.1	Y96 D308 Y309	Y96-G306 VanDerWaalsContact CD2-CA 3.49Å; G306-D308 PolarHBondContact O-N 3.09Å; G306-Y309 WeakPolarHBondContact O-CB 3.14Å; G306-Y309 PolarHBondContact O-N 3.1Å
307	P	76.3	Confident	80.4	Confident	51 Å²	51	45.3 Å²	45.3	33%	0.331	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-35.3	174.3	-26.3	36.5	0	0	0	113.4	L70 K72 Y96 Y309	L70-P307 HydrophobicContact CD1-CB 3.96Å; K72-P307 PolarHBondContact NZ-O 3.18Å; Y96-P307 HydrophobicContact CD1-CG 3.82Å; Y96-P307 HydrophobicContact CE1-CG 3.76Å; Y96-P307 HydrophobicContact CG-CG 4.47Å; P307-Y309 PolarHBondContact O-N 3.25Å
308	D	74.7	Confident	79	Confident	141 Å²	141	45.6 Å²	45.6	75%	0.754	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-8.5	177.3	-56.2	-34.6	0	0	0	112.9	G306 I310	G306-D308 PolarHBondContact O-N 3.09Å; D308-I310 VanDerWaalsContact C-N 3.27Å; D308-I310 PolarHBondContact O-N 2.75Å
309	Y	75.8	Confident	77.5	Confident	25 Å²	25	48.5 Å²	48.5	10%	0.098	31%	0.309	C	S	.	.			trans	-75.1	86	171.7	-160.3	-115.4	0	0	0	108.8	W304 G306 P307 K340 P367 R368 N369	W304-Y309 HydrophobicContact CE3-CE1 4.25Å; W304-Y309 HydrophobicContact CZ3-CD1 4.13Å; W304-Y309 AromaticContact CZ3-CE1 3.56Å; W304-Y309 HydrophobicContact CZ3-CE1 3.56Å; W304-Y309 AromaticContact CZ3-CZ 3.94Å; G306-Y309 WeakPolarHBondContact O-CB 3.14Å; G306-Y309 PolarHBondContact O-N 3.1Å; P307-Y309 PolarHBondContact O-N 3.25Å; Y309-K340 HydrophobicContact CD2-CD 4.47Å; Y309-K340 HydrophobicContact CE2-CD 4.25Å; Y309-P367 WeakPolarHBondContact OH-CB 3.34Å; Y309-R368 WeakPolarHBondContact OH-CG 3.4Å; Y309-R368 PolarHBondContact OH-N 3.44Å; Y309-R368 PolarHBondContact OH-NH1 2.89Å; Y309-N369 PolarHBondContact OH-OD1 3.44Å
310	I	68.5	Low	76.2	Confident	64 Å²	64	50 Å²	50	33%	0.328	32%	0.32	S	S	.	.			trans	-65.2	162.6	179.4	41.7	162.1	0	0	0	111.7	D308 K312 M336 E337 R368	D308-I310 VanDerWaalsContact C-N 3.27Å; D308-I310 PolarHBondContact O-N 2.75Å; I310-K312 HydrophobicContact CD1-CB 4.44Å; I310-M336 WeakPolarHBondContact CD1-O 3.36Å; I310-E337 HydrophobicContact CB-CG 4.48Å; I310-E337 HydrophobicContact CD1-CG 4.26Å; I310-E337 HydrophobicContact CG1-CB 4.37Å; I310-E337 HydrophobicContact CG1-CG 3.7Å; I310-E337 WeakPolarHBondContact O-CG 3.32Å; I310-R368 PolarHBondContact O-NH1 2.72Å; I310-R368 PolarHBondContact O-NH2 2.77Å
311	G	64.9	Low	74.8	Confident	60 Å²	60	57.9 Å²	57.9	62%	0.619	35%	0.349	S	S	*	.	S	Bend	trans	-96	13.6	-179.8	0	0	0	0	0	115	V313 E337	G311-V313 PolarHBondContact O-N 2.8Å; G311-E337 WeakPolarHBondContact CA-OE1 3.15Å
312	K	66.3	Low	73.7	Confident	103 Å²	103	60.6 Å²	60.6	45%	0.448	36%	0.362	S	S	.	.			trans	-88.5	96	-179.8	-67.3	-172.4	178.4	-168.2	0	110.1	I310 E335 E337	I310-K312 HydrophobicContact CD1-CB 4.44Å; K312-E335 HydrophobicContact CD-CB 4.14Å; K312-E335 WeakPolarHBondContact CD-O 3.37Å; K312-E335 IonicContact NZ-OE2 2.75Å; K312-E335 PolarHBondContact NZ-OE2 3.32Å; K312-E337 PolarHBondContact N-OE1 3.02Å; K312-E337 WeakPolarHBondContact O-CG 3.1Å; K312-E337 PolarHBondContact O-N 3.13Å; K312-E337 VanDerWaalsContact O-OE1 3.14Å
313	V	67.6	Low	72.7	Confident	77 Å²	77	64.9 Å²	64.9	47%	0.467	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-72.1	145.5	-176.3	-169.6	0	0	0	0	111.6	G311 M336 E337	G311-V313 PolarHBondContact O-N 2.8Å; V313-M336 VanDerWaalsContact O-CE 3.23Å; V313-M336 WeakPolarHBondContact O-CE 3.35Å; V313-E337 PolarHBondContact N-OE1 2.92Å
314	F	67.5	Low	72	Confident	26 Å²	26	72 Å²	72	11%	0.114	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-62	150	176.1	-69.4	-61.8	0	0	0	114.4	L330 M336 E337 I339 N369	F314-L330 HydrophobicContact CD1-CD1 3.88Å; F314-L330 HydrophobicContact CD1-CD2 3.35Å; F314-L330 HydrophobicContact CD1-CG 4.24Å; F314-L330 HydrophobicContact CE1-CD1 3.29Å; F314-L330 HydrophobicContact CE1-CD2 3.56Å; F314-L330 HydrophobicContact CE1-CG 4.02Å; F314-L330 HydrophobicContact CG-CD2 4.48Å; F314-L330 HydrophobicContact CZ-CD1 3.87Å; F314-M336 VanDerWaalsContact CA-CE 3.41Å; F314-M336 HydrophobicContact CB-CE 4.34Å; F314-M336 HydrophobicContact CD1-CB 4.28Å; F314-M336 HydrophobicContact CD1-CE 3.56Å; F314-M336 HydrophobicContact CE1-CB 3.83Å; F314-M336 HydrophobicContact CE1-CE 4.27Å; F314-M336 HydrophobicContact CG-CE 4.26Å; F314-E337 WeakPolarHBondContact CE1-O 3.35Å; F314-E337 HydrophobicContact CE2-CB 4.49Å; F314-E337 WeakPolarHBondContact CZ-O 3.04Å; F314-I339 HydrophobicContact CE1-CG1 4.28Å; F314-I339 HydrophobicContact CE2-CG1 3.97Å; F314-I339 HydrophobicContact CZ-CB 4.39Å; F314-I339 HydrophobicContact CZ-CG1 3.44Å; F314-I339 VanDerWaalsContact CZ-CG1 3.44Å; F314-N369 HydrophobicContact CD2-CB 3.79Å; F314-N369 HydrophobicContact CE2-CB 3.9Å
315	P	66.1	Low	71.3	Confident	57 Å²	57	75.6 Å²	75.6	37%	0.37	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-60.4	147.7	174.5	13.3	-17.3	0	0	0	111.2	G317 S318 L333	P315-G317 PolarHBondContact O-N 3.22Å; P315-S318 WeakPolarHBondContact CD-OG 3.12Å; P315-S318 VanDerWaalsContact CG-OG 3.28Å; P315-S318 WeakPolarHBondContact CG-OG 3.21Å; P315-S318 WeakPolarHBondContact O-CB 3.42Å; P315-S318 PolarHBondContact O-N 2.92Å; P315-S318 PolarHBondContact O-OG 3.36Å; P315-L333 HydrophobicContact CG-CD1 4.34Å
316	P	65.2	Low	70.9	Confident	138 Å²	138	74.5 Å²	74.5	90%	0.896	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.3	138.4	178	-27.4	34.5	0	0	0	112.4	S318	P316-S318 VanDerWaalsContact C-N 3.27Å; P316-S318 PolarHBondContact O-N 3.15Å
317	G	66	Low	70.3	Confident	52 Å²	52	81.2 Å²	81.2	54%	0.536	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	-7.7	-177.3	0	0	0	0	0	115.1	P315 T319 W329	P315-G317 PolarHBondContact O-N 3.22Å; G317-T319 PolarHBondContact O-N 3.44Å; G317-W329 WeakPolarHBondContact O-CH2 3.39Å; G317-W329 WeakPolarHBondContact O-CZ3 3.44Å
318	S	68.1	Low	70.2	Confident	10 Å²	10	86 Å²	86	7%	0.07	44%	0.444	C	S	.	.			trans	-70.8	-9	177.6	-57.4	0	0	0	0	114.3	P315 P316 S320 R326	P315-S318 WeakPolarHBondContact CD-OG 3.12Å; P315-S318 VanDerWaalsContact CG-OG 3.28Å; P315-S318 WeakPolarHBondContact CG-OG 3.21Å; P315-S318 WeakPolarHBondContact O-CB 3.42Å; P315-S318 PolarHBondContact O-N 2.92Å; P315-S318 PolarHBondContact O-OG 3.36Å; P316-S318 VanDerWaalsContact C-N 3.27Å; P316-S318 PolarHBondContact O-N 3.15Å; S318-S320 PolarHBondContact O-N 2.9Å; S318-R326 WeakPolarHBondContact O-CG 3.44Å
319	T	66.4	Low	70	Confident	62 Å²	62	84.3 Å²	84.3	38%	0.38	43%	0.427	S	S	.	.			trans	-76	29.4	-178.6	52.5	0	0	0	0	113.2	G317 W321 S371	G317-T319 PolarHBondContact O-N 3.44Å; T319-W321 PolarHBondContact O-N 3.37Å; T319-S371 WeakPolarHBondContact O-CB 3.4Å
320	S	71.4	Confident	69.8	Low	32 Å²	32	84.2 Å²	84.2	22%	0.224	43%	0.428	C	S	.	.			trans	-67	131.1	178.1	179.7	0	0	0	0	110.6	S318 N322 R326	S318-S320 PolarHBondContact O-N 2.9Å; S320-N322 PolarHBondContact O-N 3.12Å; S320-N322 VanDerWaalsContact O-N 3.1Å; S320-N322 PolarHBondContact OG-N 3.04Å; S320-R326 WeakPolarHBondContact O-CD 3.18Å; S320-R326 WeakPolarHBondContact O-CG 3.26Å; S320-R326 VanDerWaalsContact O-CZ 3.23Å; S320-R326 PolarHBondContact O-NE 2.89Å
321	W	70.1	Confident	69.8	Low	164 Å²	164	90.8 Å²	90.8	62%	0.621	45%	0.45	S	S	*	.	S	Bend	trans	-59.9	-22.2	174.1	149.6	67.8	0	0	0	113.5	T319 Q323 R326	T319-W321 PolarHBondContact O-N 3.37Å; W321-Q323 PolarHBondContact O-N 3.44Å; W321-R326 PolarHBondContact O-NH2 3.34Å
322	N	74.2	Confident	70.2	Confident	79 Å²	79	94.8 Å²	94.8	42%	0.422	46%	0.457	S	S	.	.			trans	-72.2	105.5	178.2	-174	-45.9	0	0	0	111.6	S320 R324 K325 R326	S320-N322 PolarHBondContact O-N 3.12Å; S320-N322 VanDerWaalsContact O-N 3.1Å; S320-N322 PolarHBondContact OG-N 3.04Å; N322-R324 VanDerWaalsContact C-N 3.3Å; N322-R324 PolarHBondContact O-N 3.31Å; N322-R324 WeakPolarHBondContact OD1-CB 3.24Å; N322-R324 PolarHBondContact OD1-N 2.9Å; N322-K325 HydrophobicContact CB-CB 3.88Å; N322-K325 PolarHBondContact O-N 2.71Å; N322-K325 PolarHBondContact OD1-N 3.18Å; N322-R326 PolarHBondContact O-N 3.49Å
323	Q	72.4	Confident	70.2	Confident	92 Å²	92	93.5 Å²	93.5	43%	0.43	46%	0.455	S	S	.	.	H	α-helix	trans	-60.5	-35.4	-177.6	-164.6	-168.2	31.2	0	0	112.9	W321 R327	W321-Q323 PolarHBondContact O-N 3.44Å; Q323-R327 WeakPolarHBondContact O-CG 3.46Å; Q323-R327 PolarHBondContact O-N 3.46Å
324	R	76.6	Confident	70.1	Confident	205 Å²	205	99.8 Å²	99.8	77%	0.774	48%	0.476	S	S	*	.	H	α-helix	trans	-66.8	-44.4	177	-178.2	177.9	-179.8	157.1	0.5	111.1	N322 R327 H328	N322-R324 VanDerWaalsContact C-N 3.3Å; N322-R324 PolarHBondContact O-N 3.31Å; N322-R324 WeakPolarHBondContact OD1-CB 3.24Å; N322-R324 PolarHBondContact OD1-N 2.9Å; R324-R327 PolarHBondContact O-N 3.07Å; R324-H328 PolarHBondContact O-N 2.94Å
325	K	73.8	Confident	70	Confident	107 Å²	107	104.6 Å²	104.6	47%	0.465	50%	0.499	S	S	.	.	H	α-helix	trans	-64.7	-42.5	177.7	-163.2	176.7	-172.1	-177.3	0	111.2	N322 H328 W329	N322-K325 HydrophobicContact CB-CB 3.88Å; N322-K325 PolarHBondContact O-N 2.71Å; N322-K325 PolarHBondContact OD1-N 3.18Å; K325-H328 WeakPolarHBondContact O-CB 3.48Å; K325-H328 PolarHBondContact O-N 3.44Å; K325-W329 HydrophobicContact CD-CH2 4.24Å; K325-W329 HydrophobicContact CD-CZ2 3.97Å; K325-W329 VanDerWaalsContact CE-CZ2 3.46Å; K325-W329 HydrophobicContact CG-CD2 4.48Å; K325-W329 HydrophobicContact CG-CH2 4.44Å; K325-W329 HydrophobicContact CG-CZ2 4.03Å; K325-W329 PolarHBondContact O-N 3.14Å
326	R	73	Confident	69.9	Low	7 Å²	7	103.9 Å²	103.9	3%	0.026	49%	0.491	C	S	.	.	H	α-helix	trans	-57.3	-52.6	173.2	-81.7	-173.2	-84.1	-177.3	-13.9	112.7	S318 S320 W321 N322 H328 W329 L330 I339 N341	S318-R326 WeakPolarHBondContact O-CG 3.44Å; S320-R326 WeakPolarHBondContact O-CD 3.18Å; S320-R326 WeakPolarHBondContact O-CG 3.26Å; S320-R326 VanDerWaalsContact O-CZ 3.23Å; S320-R326 PolarHBondContact O-NE 2.89Å; W321-R326 PolarHBondContact O-NH2 3.34Å; N322-R326 PolarHBondContact O-N 3.49Å; R326-H328 PolarHBondContact O-N 2.92Å; R326-W329 PolarHBondContact O-N 2.94Å; R326-W329 VanDerWaalsContact O-N 3.08Å; R326-L330 WeakPolarHBondContact O-CG 3.25Å; R326-L330 PolarHBondContact O-N 3.13Å; R326-I339 HydrophobicContact CB-CD1 3.84Å; R326-N341 PolarHBondContact NH1-OD1 3.12Å; R326-N341 PolarHBondContact NH2-OD1 3.37Å
327	R	71.1	Confident	70	Confident	154 Å²	154	97.5 Å²	97.5	58%	0.581	45%	0.449	S	S	*	.	H	α-helix	trans	-56.7	-37.7	178.7	-80.1	-170	-73.4	165.3	-8.8	112.5	Q323 R324 L330 Y331	Q323-R327 WeakPolarHBondContact O-CG 3.46Å; Q323-R327 PolarHBondContact O-N 3.46Å; R324-R327 PolarHBondContact O-N 3.07Å; R327-L330 PolarHBondContact O-N 3.3Å; R327-Y331 PolarHBondContact O-N 3.37Å
328	H	74.1	Confident	69.9	Low	151 Å²	151	98.2 Å²	98.2	70%	0.699	45%	0.445	S	S	*	.	H	α-helix	trans	-65.5	-40.7	177.1	-174.2	62.6	0	0	0	112.7	R324 K325 R326 L330	R324-H328 PolarHBondContact O-N 2.94Å; K325-H328 WeakPolarHBondContact O-CB 3.48Å; K325-H328 PolarHBondContact O-N 3.44Å; R326-H328 PolarHBondContact O-N 2.92Å; H328-L330 PolarHBondContact O-N 3.44Å
329	W	70.1	Confident	69.7	Low	106 Å²	106	99.9 Å²	99.9	40%	0.402	45%	0.452	S	S	.	.	H	α-helix	trans	-67.2	-21.7	177.4	-68.1	-24.8	0	0	0	114.6	G317 K325 R326	G317-W329 WeakPolarHBondContact O-CH2 3.39Å; G317-W329 WeakPolarHBondContact O-CZ3 3.44Å; K325-W329 HydrophobicContact CD-CH2 4.24Å; K325-W329 HydrophobicContact CD-CZ2 3.97Å; K325-W329 VanDerWaalsContact CE-CZ2 3.46Å; K325-W329 HydrophobicContact CG-CD2 4.48Å; K325-W329 HydrophobicContact CG-CH2 4.44Å; K325-W329 HydrophobicContact CG-CZ2 4.03Å; K325-W329 PolarHBondContact O-N 3.14Å; R326-W329 PolarHBondContact O-N 2.94Å; R326-W329 VanDerWaalsContact O-N 3.08Å
330	L	71.4	Confident	69.9	Low	23 Å²	23	99.5 Å²	99.5	12%	0.12	45%	0.445	C	S	.	.	H	α-helix	trans	-107.5	-2.2	-172.4	-59	169.8	0	0	0	113.5	F314 R326 R327 H328 D332 L333 I339	F314-L330 HydrophobicContact CD1-CD1 3.88Å; F314-L330 HydrophobicContact CD1-CD2 3.35Å; F314-L330 HydrophobicContact CD1-CG 4.24Å; F314-L330 HydrophobicContact CE1-CD1 3.29Å; F314-L330 HydrophobicContact CE1-CD2 3.56Å; F314-L330 HydrophobicContact CE1-CG 4.02Å; F314-L330 HydrophobicContact CG-CD2 4.48Å; F314-L330 HydrophobicContact CZ-CD1 3.87Å; R326-L330 WeakPolarHBondContact O-CG 3.25Å; R326-L330 PolarHBondContact O-N 3.13Å; R327-L330 PolarHBondContact O-N 3.3Å; H328-L330 PolarHBondContact O-N 3.44Å; L330-D332 PolarHBondContact O-N 3.13Å; L330-D332 VanDerWaalsContact O-N 3.12Å; L330-L333 HydrophobicContact CD2-CD1 3.9Å; L330-L333 PolarHBondContact O-N 3.49Å; L330-I339 HydrophobicContact CD1-CD1 3.49Å; L330-I339 VanDerWaalsContact CD1-CD1 3.49Å; L330-I339 HydrophobicContact CD1-CG1 3.84Å
331	Y	69.8	Low	70.5	Confident	201 Å²	201	98.2 Å²	98.2	79%	0.788	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-35.1	-172.6	-174.7	-96	0	0	0	113.2	R327	R327-Y331 PolarHBondContact O-N 3.37Å
332	D	71.9	Confident	71.4	Confident	144 Å²	144	90.6 Å²	90.6	77%	0.77	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.2	-178.2	-66.2	-29.1	0	0	0	114.2	L330	L330-D332 PolarHBondContact O-N 3.13Å; L330-D332 VanDerWaalsContact O-N 3.12Å
333	L	67.4	Low	72	Confident	77 Å²	77	93 Å²	93	40%	0.403	42%	0.416	S	S	.	.			trans	-99.5	99.5	-175.6	-57.3	174.2	0	0	0	110.3	P315 L330 E335 M336	P315-L333 HydrophobicContact CG-CD1 4.34Å; L330-L333 HydrophobicContact CD2-CD1 3.9Å; L330-L333 PolarHBondContact O-N 3.49Å; L333-E335 VanDerWaalsContact C-N 3.26Å; L333-E335 PolarHBondContact O-N 2.83Å; L333-M336 HydrophobicContact CB-CG 3.3Å; L333-M336 HydrophobicContact CB-SD 4.21Å; L333-M336 HydrophobicContact CD1-CE 4.08Å; L333-M336 HydrophobicContact CD1-CG 3.7Å; L333-M336 HydrophobicContact CD1-SD 3.93Å; L333-M336 HydrophobicContact CG-CG 4.11Å
334	K	66.4	Low	72.8	Confident	209 Å²	209	93.7 Å²	93.7	91%	0.909	42%	0.423	S	S	*	.	S	Bend	trans	-65.3	-24.4	-178.4	-68.2	-176.5	179.1	179.7	0	114.4
335	E	64.5	Low	73.5	Confident	126 Å²	126	84.4 Å²	84.4	59%	0.589	39%	0.388	S	S	*	.	S	Bend	trans	-132	66.2	-169.2	-65.2	-178.3	-176.3	0	0	111.2	K312 L333	K312-E335 HydrophobicContact CD-CB 4.14Å; K312-E335 WeakPolarHBondContact CD-O 3.37Å; K312-E335 IonicContact NZ-OE2 2.75Å; K312-E335 PolarHBondContact NZ-OE2 3.32Å; L333-E335 VanDerWaalsContact C-N 3.26Å; L333-E335 PolarHBondContact O-N 2.83Å
336	M	64.8	Low	74.3	Confident	43 Å²	43	82.5 Å²	82.5	21%	0.212	39%	0.387	C	S	.	.			trans	-119.7	151	175	-62.5	-61.9	-70.8	0	0	110.4	I310 V313 F314 L333	I310-M336 WeakPolarHBondContact CD1-O 3.36Å; V313-M336 VanDerWaalsContact O-CE 3.23Å; V313-M336 WeakPolarHBondContact O-CE 3.35Å; F314-M336 VanDerWaalsContact CA-CE 3.41Å; F314-M336 HydrophobicContact CB-CE 4.34Å; F314-M336 HydrophobicContact CD1-CB 4.28Å; F314-M336 HydrophobicContact CD1-CE 3.56Å; F314-M336 HydrophobicContact CE1-CB 3.83Å; F314-M336 HydrophobicContact CE1-CE 4.27Å; F314-M336 HydrophobicContact CG-CE 4.26Å; L333-M336 HydrophobicContact CB-CG 3.3Å; L333-M336 HydrophobicContact CB-SD 4.21Å; L333-M336 HydrophobicContact CD1-CE 4.08Å; L333-M336 HydrophobicContact CD1-CG 3.7Å; L333-M336 HydrophobicContact CD1-SD 3.93Å; L333-M336 HydrophobicContact CG-CG 4.11Å
337	E	66.5	Low	75.2	Confident	3 Å²	3	86.5 Å²	86.5	1%	0.014	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-48	135.9	171.3	-79.7	165.2	-151.2	0	0	110.9	I310 G311 K312 V313 F314 I339 R368	I310-E337 HydrophobicContact CB-CG 4.48Å; I310-E337 HydrophobicContact CD1-CG 4.26Å; I310-E337 HydrophobicContact CG1-CB 4.37Å; I310-E337 HydrophobicContact CG1-CG 3.7Å; I310-E337 WeakPolarHBondContact O-CG 3.32Å; G311-E337 WeakPolarHBondContact CA-OE1 3.15Å; K312-E337 PolarHBondContact N-OE1 3.02Å; K312-E337 WeakPolarHBondContact O-CG 3.1Å; K312-E337 PolarHBondContact O-N 3.13Å; K312-E337 VanDerWaalsContact O-OE1 3.14Å; V313-E337 PolarHBondContact N-OE1 2.92Å; F314-E337 WeakPolarHBondContact CE1-O 3.35Å; F314-E337 HydrophobicContact CE2-CB 4.49Å; F314-E337 WeakPolarHBondContact CZ-O 3.04Å; E337-I339 PolarHBondContact O-N 3.28Å; E337-R368 VanDerWaalsContact CD-NE 3.28Å; E337-R368 IonicContact OE1-CZ 3.96Å; E337-R368 IonicContact OE1-NE 3.55Å; E337-R368 PolarHBondContact OE1-NE 2.92Å; E337-R368 IonicContact OE1-NH1 3.15Å; E337-R368 PolarHBondContact OE1-NH1 3.49Å; E337-R368 IonicContact OE1-NH2 3.77Å; E337-R368 IonicContact OE2-CZ 2.8Å; E337-R368 IonicContact OE2-NE 2.86Å; E337-R368 PolarHBondContact OE2-NE 3.24Å; E337-R368 IonicContact OE2-NH1 3.35Å; E337-R368 PolarHBondContact OE2-NH1 2.97Å
338	P	63.4	Low	76.3	Confident	68 Å²	68	79.1 Å²	79.1	44%	0.442	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-61.3	133	172.5	24.1	-31.1	0	0	0	109	K340 N369	P338-K340 PolarHBondContact O-N 3.4Å; P338-N369 PolarHBondContact O-ND2 2.8Å; P338-N369 VanDerWaalsContact O-ND2 3.13Å
339	I	64.9	Low	77.2	Confident	44 Å²	44	75 Å²	75	23%	0.226	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-62	121.9	172.4	-58.6	165.7	0	0	0	107.5	F314 R326 L330 E337	F314-I339 HydrophobicContact CE1-CG1 4.28Å; F314-I339 HydrophobicContact CE2-CG1 3.97Å; F314-I339 HydrophobicContact CZ-CB 4.39Å; F314-I339 HydrophobicContact CZ-CG1 3.44Å; F314-I339 VanDerWaalsContact CZ-CG1 3.44Å; R326-I339 HydrophobicContact CB-CD1 3.84Å; L330-I339 HydrophobicContact CD1-CD1 3.49Å; L330-I339 VanDerWaalsContact CD1-CD1 3.49Å; L330-I339 HydrophobicContact CD1-CG1 3.84Å; E337-I339 PolarHBondContact O-N 3.28Å
340	K	71	Confident	78.2	Confident	54 Å²	54	75.6 Å²	75.6	24%	0.235	37%	0.365	C	S	.	.			trans	-104.2	117	171.1	-63.2	-162.6	176.8	-166.3	0	108.9	W304 Y309 P338	W304-K340 WeakPolarHBondContact O-CD 3.24Å; W304-K340 WeakPolarHBondContact O-CE 3.3Å; W304-K340 PolarHBondContact O-NZ 2.92Å; Y309-K340 HydrophobicContact CD2-CD 4.47Å; Y309-K340 HydrophobicContact CE2-CD 4.25Å; P338-K340 PolarHBondContact O-N 3.4Å
341	N	82.8	Confident	79.4	Confident	5 Å²	5	74.5 Å²	74.5	3%	0.027	36%	0.36	C	S	.	.			trans	-79.4	145.2	167.3	-57.2	-64.6	0	0	0	108.9	R326 E343 D344 Q374	R326-N341 PolarHBondContact NH1-OD1 3.12Å; R326-N341 PolarHBondContact NH2-OD1 3.37Å; N341-E343 HydrophobicContact CB-CG 3.87Å; N341-E343 PolarHBondContact O-N 2.67Å; N341-D344 VanDerWaalsContact CB-OD2 3.3Å; N341-D344 WeakPolarHBondContact CB-OD2 3.34Å; N341-D344 PolarHBondContact ND2-OD2 2.94Å; N341-D344 WeakPolarHBondContact O-CB 3.47Å; N341-D344 PolarHBondContact O-N 3.38Å; N341-Q374 PolarHBondContact OD1-NE2 3.04Å
342	L	89.1	Confident	80.6	Confident	5 Å²	5	65 Å²	65	3%	0.026	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-64.1	-29.3	178.9	-59.9	-176.5	0	0	0	112.2	D344 I345 L348 L366 S370 Q374 L375 M378	L342-D344 PolarHBondContact O-N 3.21Å; L342-I345 HydrophobicContact CD2-CD1 3.71Å; L342-I345 PolarHBondContact O-N 3.21Å; L342-L348 HydrophobicContact CB-CD2 4.2Å; L342-L366 HydrophobicContact CD1-CD1 4.19Å; L342-L366 HydrophobicContact CD2-CD1 4.3Å; L342-L366 HydrophobicContact CD2-CD2 3.95Å; L342-S370 WeakPolarHBondContact CD2-OG 3.47Å; L342-Q374 HydrophobicContact CD1-CB 3.72Å; L342-Q374 HydrophobicContact CG-CB 4.06Å; L342-L375 HydrophobicContact CD1-CD2 3.81Å; L342-L375 HydrophobicContact CD1-CG 4.4Å; L342-M378 HydrophobicContact CB-SD 4.46Å; L342-M378 HydrophobicContact CD1-CG 4.38Å; L342-M378 HydrophobicContact CD1-SD 3.38Å; L342-M378 WeakPolarHBondContact CD1-SD 3.48Å; L342-M378 HydrophobicContact CG-SD 4.47Å
343	E	86.8	Confident	81.5	Confident	130 Å²	130	60.9 Å²	60.9	61%	0.607	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-65.9	-24.6	174.6	71.6	-165.7	159.7	0	0	113.8	N341 I345	N341-E343 HydrophobicContact CB-CG 3.87Å; N341-E343 PolarHBondContact O-N 2.67Å; E343-I345 VanDerWaalsContact C-N 3.33Å
344	D	88.7	Confident	82.6	Confident	105 Å²	105	57.5 Å²	57.5	56%	0.561	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-85.7	-9.4	179.7	-59.7	-40.7	0	0	0	111.8	N341 L342 P346	N341-D344 VanDerWaalsContact CB-OD2 3.3Å; N341-D344 WeakPolarHBondContact CB-OD2 3.34Å; N341-D344 PolarHBondContact ND2-OD2 2.94Å; N341-D344 WeakPolarHBondContact O-CB 3.47Å; N341-D344 PolarHBondContact O-N 3.38Å; L342-D344 PolarHBondContact O-N 3.21Å; D344-P346 WeakPolarHBondContact O-CD 3.41Å
345	I	92.2	Very high	83.8	Confident	10 Å²	10	47.6 Å²	47.6	5%	0.051	24%	0.24	C	C	.	.	S	Bend	trans	-73.4	119.3	177.9	-62	177.5	0	0	0	108.4	P302 W304 L342 E343 F347 L348 L366 P367	P302-I345 HydrophobicContact CB-CG2 3.85Å; P302-I345 HydrophobicContact CG-CG2 3.79Å; W304-I345 HydrophobicContact CB-CD1 3.89Å; W304-I345 HydrophobicContact CB-CG1 4.04Å; W304-I345 HydrophobicContact CB-CG2 4.21Å; W304-I345 HydrophobicContact CG-CD1 4.3Å; L342-I345 HydrophobicContact CD2-CD1 3.71Å; L342-I345 PolarHBondContact O-N 3.21Å; E343-I345 VanDerWaalsContact C-N 3.33Å; I345-F347 PolarHBondContact O-N 3.48Å; I345-L348 HydrophobicContact CB-CB 3.97Å; I345-L348 HydrophobicContact CB-CD2 4.04Å; I345-L348 HydrophobicContact CD1-CD2 3.95Å; I345-L348 HydrophobicContact CG1-CD2 4.5Å; I345-L348 HydrophobicContact CG2-CB 3.84Å; I345-L348 HydrophobicContact CG2-CD2 4.31Å; I345-L348 PolarHBondContact O-N 3.45Å; I345-L366 HydrophobicContact CD1-CD2 4.18Å; I345-P367 HydrophobicContact CD1-CG 3.93Å
346	P	90.5	Very high	85	Confident	67 Å²	67	41.6 Å²	41.6	44%	0.435	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	136	-178.7	-26	35.2	0	0	0	111.7	D344 L348	D344-P346 WeakPolarHBondContact O-CD 3.41Å; P346-L348 PolarHBondContact O-N 3.28Å
347	F	91.2	Very high	86	Confident	91 Å²	91	40 Å²	40	40%	0.399	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	-12.9	175.1	-43.2	-74.9	0	0	0	116.5	F120 V170 I345 N349 K350 A351	F120-F347 HydrophobicContact CE1-CB 4.3Å; F120-F347 HydrophobicContact CZ-CB 4.24Å; V170-F347 HydrophobicContact CG1-CB 4.45Å; I345-F347 PolarHBondContact O-N 3.48Å; F347-N349 PolarHBondContact O-N 3.47Å; F347-K350 PolarHBondContact O-N 3.4Å; F347-A351 VanDerWaalsContact O-CB 3.27Å; F347-A351 WeakPolarHBondContact O-CB 3.12Å; F347-A351 PolarHBondContact O-N 3.4Å
348	L	95.3	Very high	87	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.4	-56.4	-174.3	172.1	59.1	0	0	0	112.8	P302 L342 I345 P346 K350 A351 L352 I364 L366 M378	P302-L348 HydrophobicContact CG-CB 4.16Å; P302-L348 HydrophobicContact CG-CD1 4.03Å; L342-L348 HydrophobicContact CB-CD2 4.2Å; I345-L348 HydrophobicContact CB-CB 3.97Å; I345-L348 HydrophobicContact CB-CD2 4.04Å; I345-L348 HydrophobicContact CD1-CD2 3.95Å; I345-L348 HydrophobicContact CG1-CD2 4.5Å; I345-L348 HydrophobicContact CG2-CB 3.84Å; I345-L348 HydrophobicContact CG2-CD2 4.31Å; I345-L348 PolarHBondContact O-N 3.45Å; P346-L348 PolarHBondContact O-N 3.28Å; L348-K350 VanDerWaalsContact C-N 3.31Å; L348-K350 PolarHBondContact O-N 3.33Å; L348-A351 PolarHBondContact O-N 3.01Å; L348-L352 VanDerWaalsContact O-CB 3.28Å; L348-L352 WeakPolarHBondContact O-CB 3.35Å; L348-L352 PolarHBondContact O-N 3.26Å; L348-I364 HydrophobicContact CD1-CD1 4.31Å; L348-I364 HydrophobicContact CD1-CG2 3.75Å; L348-L366 HydrophobicContact CD2-CD2 3.85Å; L348-M378 HydrophobicContact CD1-CE 3.89Å; L348-M378 HydrophobicContact CD2-CE 4Å; L348-M378 HydrophobicContact CG-CE 4.13Å
349	N	92.7	Very high	88.2	Confident	65 Å²	65	37 Å²	37	35%	0.348	18%	0.184	S	C	.	.	H	α-helix	trans	-62.7	-39.6	-176.9	-80.6	-26	0	0	0	112.1	F347 N353	F347-N349 PolarHBondContact O-N 3.47Å; N349-N353 VanDerWaalsContact O-CB 3.3Å; N349-N353 WeakPolarHBondContact O-CB 3.23Å; N349-N353 PolarHBondContact O-N 2.62Å; N349-N353 PolarHBondContact O-ND2 3.09Å; N349-N353 PolarHBondContact O-OD1 2.96Å
350	K	91.8	Very high	89.3	Confident	117 Å²	117	38.2 Å²	38.2	51%	0.509	19%	0.191	S	C	.	.	H	α-helix	trans	-69.2	-46.7	-179.7	-66.7	-178.7	172.2	-170.4	0	111.5	E171 F347 L348 L352 N353 I354	E171-K350 HydrophobicContact CG-CB 4.16Å; E171-K350 WeakPolarHBondContact OE1-CD 3.3Å; E171-K350 IonicContact OE1-NZ 3.39Å; E171-K350 PolarHBondContact OE1-NZ 2.92Å; E171-K350 WeakPolarHBondContact OE2-CD 3.25Å; E171-K350 IonicContact OE2-NZ 2.91Å; E171-K350 PolarHBondContact OE2-NZ 3.02Å; F347-K350 PolarHBondContact O-N 3.4Å; L348-K350 VanDerWaalsContact C-N 3.31Å; L348-K350 PolarHBondContact O-N 3.33Å; K350-L352 PolarHBondContact O-N 3.11Å; K350-N353 PolarHBondContact O-N 2.94Å; K350-I354 WeakPolarHBondContact O-CD1 3.35Å; K350-I354 VanDerWaalsContact O-CG1 3.26Å; K350-I354 WeakPolarHBondContact O-CG1 3.38Å; K350-I354 PolarHBondContact O-N 2.9Å
351	A	95.3	Very high	90.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-48	175	0	0	0	0	0	110.8	F120 V170 L174 M300 F347 L348 N353 I354 S355	F120-A351 HydrophobicContact CE2-CB 4.34Å; F120-A351 HydrophobicContact CZ-CB 4.17Å; V170-A351 HydrophobicContact CG2-CB 4.42Å; L174-A351 HydrophobicContact CD1-CB 4.33Å; M300-A351 HydrophobicContact CE-CB 4.04Å; M300-A351 HydrophobicContact SD-CB 4.1Å; F347-A351 VanDerWaalsContact O-CB 3.27Å; F347-A351 WeakPolarHBondContact O-CB 3.12Å; F347-A351 PolarHBondContact O-N 3.4Å; L348-A351 PolarHBondContact O-N 3.01Å; A351-N353 PolarHBondContact O-N 2.74Å; A351-I354 PolarHBondContact O-N 3.19Å; A351-S355 WeakPolarHBondContact O-CB 3.42Å; A351-S355 PolarHBondContact O-N 2.99Å; A351-S355 PolarHBondContact O-OG 3.34Å; A351-S355 VanDerWaalsContact O-OG 3.1Å
352	L	94.6	Very high	91.1	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-57.7	-48.7	176.7	176.3	58.1	0	0	0	111.9	L348 K350 I354 S355 R356 I362 I364 M378 L418	L348-L352 VanDerWaalsContact O-CB 3.28Å; L348-L352 WeakPolarHBondContact O-CB 3.35Å; L348-L352 PolarHBondContact O-N 3.26Å; K350-L352 PolarHBondContact O-N 3.11Å; L352-I354 VanDerWaalsContact C-N 3.31Å; L352-I354 PolarHBondContact O-N 3.4Å; L352-S355 PolarHBondContact O-N 2.96Å; L352-R356 HydrophobicContact CD1-CG 4.18Å; L352-R356 WeakPolarHBondContact O-CG 3.15Å; L352-R356 PolarHBondContact O-N 2.76Å; L352-I362 HydrophobicContact CD1-CD1 3.73Å; L352-I362 HydrophobicContact CD1-CG2 4.37Å; L352-I364 HydrophobicContact CD1-CD1 4.09Å; L352-I364 HydrophobicContact CD2-CD1 4.36Å; L352-M378 HydrophobicContact CD2-CB 3.95Å; L352-M378 HydrophobicContact CD2-CE 3.58Å; L352-M378 HydrophobicContact CD2-CG 4.29Å; L352-L418 HydrophobicContact CD1-CD1 3.78Å; L352-L418 HydrophobicContact CD2-CD1 4.3Å
353	N	91.1	Very high	91.5	Very high	56 Å²	56	38 Å²	38	30%	0.299	19%	0.19	S	C	.	.	H	α-helix	trans	-59	-46	-179.2	-70.9	-5.4	0	0	0	110.9	N349 K350 A351 R356 H357 L382	N349-N353 VanDerWaalsContact O-CB 3.3Å; N349-N353 WeakPolarHBondContact O-CB 3.23Å; N349-N353 PolarHBondContact O-N 2.62Å; N349-N353 PolarHBondContact O-ND2 3.09Å; N349-N353 PolarHBondContact O-OD1 2.96Å; K350-N353 PolarHBondContact O-N 2.94Å; A351-N353 PolarHBondContact O-N 2.74Å; N353-R356 PolarHBondContact O-N 3.15Å; N353-H357 PolarHBondContact O-CD2 3.46Å; N353-H357 PolarHBondContact O-NE2 2.99Å; N353-L382 HydrophobicContact CB-CD1 3.88Å; N353-L382 WeakPolarHBondContact OD1-CD2 3.35Å
354	I	90.8	Very high	92.1	Very high	7 Å²	7	31.8 Å²	31.8	4%	0.036	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-46.6	177.5	-62.5	162.6	0	0	0	110.8	E171 L174 K350 A351 L352 R356 H357	E171-I354 HydrophobicContact CB-CD1 3.65Å; E171-I354 HydrophobicContact CG-CD1 4.08Å; L174-I354 HydrophobicContact CB-CB 4.34Å; L174-I354 HydrophobicContact CB-CG2 3.48Å; L174-I354 VanDerWaalsContact CB-CG2 3.48Å; K350-I354 WeakPolarHBondContact O-CD1 3.35Å; K350-I354 VanDerWaalsContact O-CG1 3.26Å; K350-I354 WeakPolarHBondContact O-CG1 3.38Å; K350-I354 PolarHBondContact O-N 2.9Å; A351-I354 PolarHBondContact O-N 3.19Å; L352-I354 VanDerWaalsContact C-N 3.31Å; L352-I354 PolarHBondContact O-N 3.4Å; I354-R356 VanDerWaalsContact C-N 3.27Å; I354-R356 PolarHBondContact O-N 3.47Å; I354-H357 WeakPolarHBondContact O-CB 3.27Å; I354-H357 PolarHBondContact O-N 3.28Å
355	S	92.5	Very high	92.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-32.8	-178.8	-73.6	0	0	0	0	113.9	L174 I298 M300 A351 L352 H357 V358 C359	L174-S355 WeakPolarHBondContact CD1-OG 3.33Å; I298-S355 WeakPolarHBondContact CD1-OG 3.48Å; M300-S355 VanDerWaalsContact CE-CB 3.43Å; M300-S355 WeakPolarHBondContact CE-OG 3.41Å; A351-S355 WeakPolarHBondContact O-CB 3.42Å; A351-S355 PolarHBondContact O-N 2.99Å; A351-S355 PolarHBondContact O-OG 3.34Å; A351-S355 VanDerWaalsContact O-OG 3.1Å; L352-S355 PolarHBondContact O-N 2.96Å; S355-H357 PolarHBondContact O-N 3.12Å; S355-V358 PolarHBondContact O-N 2.95Å; S355-C359 PolarHBondContact O-N 3.14Å
356	R	89.6	Confident	92.6	Very high	1 Å²	1	27 Å²	27	0%	0.004	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.7	175.7	-72.3	-179.2	66.3	153.8	-0.5	113.6	L352 N353 I354 I362 M378 S379 W380 S393 Q396 L398	L352-R356 HydrophobicContact CD1-CG 4.18Å; L352-R356 WeakPolarHBondContact O-CG 3.15Å; L352-R356 PolarHBondContact O-N 2.76Å; N353-R356 PolarHBondContact O-N 3.15Å; I354-R356 VanDerWaalsContact C-N 3.27Å; I354-R356 PolarHBondContact O-N 3.47Å; R356-I362 HydrophobicContact CG-CD1 3.94Å; R356-M378 PolarHBondContact NH1-O 3.37Å; R356-S379 PolarHBondContact NH1-O 3.03Å; R356-W380 PolarHBondContact NH1-O 3.37Å; R356-W380 PolarHBondContact NH2-O 3.39Å; R356-S393 PolarHBondContact NH2-O 3.46Å; R356-S393 VanDerWaalsContact NH2-O 3.15Å; R356-S393 WeakPolarHBondContact O-CB 3.38Å; R356-S393 PolarHBondContact O-OG 3.26Å; R356-Q396 PolarHBondContact NH2-O 3.17Å; R356-L398 HydrophobicContact CG-CD1 4.12Å
357	H	86	Confident	92.7	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.037	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-2.9	173.7	-53.5	-79.3	0	0	0	113.6	F291 N353 I354 S355 C385 Y387 I388 C391 C394	F291-H357 WeakPolarHBondContact CZ-O 3.41Å; N353-H357 PolarHBondContact O-CD2 3.46Å; N353-H357 PolarHBondContact O-NE2 2.99Å; I354-H357 WeakPolarHBondContact O-CB 3.27Å; I354-H357 PolarHBondContact O-N 3.28Å; S355-H357 PolarHBondContact O-N 3.12Å; H357-C385 PolarHBondContact CE1-SG 3.35Å; H357-Y387 AromaticContact NE2-CD2 3.55Å; H357-I388 HydrophobicContact CB-CD1 4.03Å; H357-C391 PolarHBondContact ND1-SG 3.05Å; H357-C394 PolarHBondContact CE1-SG 3.44Å
358	V	86.5	Confident	92.5	Very high	6 Å²	6	20.7 Å²	20.7	4%	0.036	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-34.6	-172.6	-179.5	0	0	0	0	110.6	L174 L177 R178 S293 I295 I298 S355	L174-V358 WeakPolarHBondContact O-CG2 3.27Å; L177-V358 HydrophobicContact CB-CG1 4.14Å; R178-V358 HydrophobicContact CG-CG2 3.62Å; S293-V358 WeakPolarHBondContact CB-O 3.31Å; S293-V358 PolarHBondContact OG-O 2.88Å; I295-V358 HydrophobicContact CD1-CG1 3.39Å; I298-V358 HydrophobicContact CD1-CB 4.3Å; I298-V358 HydrophobicContact CD1-CG1 4.29Å; S355-V358 PolarHBondContact O-N 2.95Å
359	C	89.5	Confident	91.9	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.02	10%	0.101	C	C	.	.			trans	-147.4	148.6	-175	-175.4	0	0	0	0	111	I295 D296 I298 S355 K361	I295-C359 HydrophobicContact CG2-CB 4.16Å; I295-C359 PolarHBondContact O-SG 2.77Å; D296-C359 PolarHBondContact O-SG 3.02Å; I298-C359 HydrophobicContact CD1-CB 3.63Å; I298-C359 HydrophobicContact CG1-CB 3.74Å; S355-C359 PolarHBondContact O-N 3.14Å; C359-K361 PolarHBondContact SG-N 3.44Å; C359-K361 VanDerWaalsContact SG-N 3.42Å; C359-K361 PolarHBondContact SG-O 3.19Å
360	N	88.2	Confident	91.6	Very high	70 Å²	70	18.2 Å²	18.2	37%	0.374	9%	0.086	S	C	.	.	S	Bend	trans	-94.1	-6.7	179	-71.6	-23.4	0	0	0	114	G419	N360-G419 WeakPolarHBondContact O-CA 3.39Å
361	K	93.7	Very high	91.3	Very high	59 Å²	59	12.6 Å²	12.6	26%	0.257	6%	0.062	S	C	.	.			trans	-126.5	116.9	-179.1	-58.4	177.9	-149.1	156.5	0	109.5	I297 I298 C359 L418 S420 F421	I297-K361 WeakPolarHBondContact CA-O 3.39Å; I297-K361 HydrophobicContact CG1-CB 4Å; I297-K361 HydrophobicContact CG1-CD 4.14Å; I298-K361 PolarHBondContact N-O 3.21Å; C359-K361 PolarHBondContact SG-N 3.44Å; C359-K361 VanDerWaalsContact SG-N 3.42Å; C359-K361 PolarHBondContact SG-O 3.19Å; K361-L418 WeakPolarHBondContact CA-O 3.43Å; K361-S420 WeakPolarHBondContact CD-O 3.39Å; K361-F421 HydrophobicContact CB-CE1 4.3Å; K361-F421 HydrophobicContact CB-CE2 3.97Å; K361-F421 HydrophobicContact CB-CZ 3.81Å
362	I	96.7	Very high	91	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.7	-175.8	-51.8	173.2	0	0	0	108.6	I298 M300 L352 R356 I364 Y417 L418	I298-I362 CarbonylContact O-C 3.59Å; I298-I362 VanDerWaalsContact O-CA 3.27Å; I298-I362 WeakPolarHBondContact O-CA 3.39Å; M300-I362 HydrophobicContact CE-CG2 4.24Å; M300-I362 HydrophobicContact SD-CG2 4.38Å; L352-I362 HydrophobicContact CD1-CD1 3.73Å; L352-I362 HydrophobicContact CD1-CG2 4.37Å; R356-I362 HydrophobicContact CG-CD1 3.94Å; I362-I364 HydrophobicContact CG2-CD1 4.24Å; I362-I364 HydrophobicContact CG2-CG1 3.85Å; I362-Y417 CarbonylContact O-C 3.59Å; I362-Y417 WeakPolarHBondContact O-CA 3.31Å; I362-L418 HydrophobicContact CB-CB 4.32Å; I362-L418 PolarHBondContact N-O 3.49Å; I362-L418 PolarHBondContact O-N 2.89Å
363	L	98.1	Very high	90.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	129.1	169.9	170.2	57.7	0	0	0	109.2	Q107 C111 I298 F299 M300 L416 Y417	Q107-L363 HydrophobicContact CB-CD2 4.14Å; Q107-L363 HydrophobicContact CG-CD2 4.04Å; C111-L363 VanDerWaalsContact SG-CD2 3.54Å; I298-L363 PolarHBondContact O-N 3.1Å; F299-L363 CarbonylContact C-O 3.55Å; F299-L363 WeakPolarHBondContact CA-O 3.43Å; F299-L363 HydrophobicContact CD2-CB 4.08Å; F299-L363 HydrophobicContact CD2-CD2 3.7Å; F299-L363 HydrophobicContact CD2-CG 3.67Å; F299-L363 HydrophobicContact CE2-CD2 3.96Å; F299-L363 HydrophobicContact CE2-CG 3.98Å; M300-L363 PolarHBondContact N-O 3.41Å; L363-L416 WeakPolarHBondContact CA-O 3.32Å; L363-Y417 HydrophobicContact CB-CD1 4.21Å; L363-Y417 HydrophobicContact CB-CE1 4.34Å; L363-Y417 HydrophobicContact CD1-CD1 3.71Å; L363-Y417 HydrophobicContact CD1-CD2 3.95Å; L363-Y417 HydrophobicContact CD1-CE1 3.55Å; L363-Y417 HydrophobicContact CD1-CE2 3.8Å; L363-Y417 HydrophobicContact CD1-CG 3.92Å; L363-Y417 HydrophobicContact CD2-CD1 4.46Å; L363-Y417 HydrophobicContact CD2-CE1 3.77Å; L363-Y417 HydrophobicContact CG-CD1 4.32Å; L363-Y417 HydrophobicContact CG-CE1 4.07Å
364	I	98.2	Very high	90.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	123	179.8	-43.9	176.5	0	0	0	109.8	M300 L348 L352 I362 L366 M378 L416 L418	M300-I364 HydrophobicContact CB-CG1 4.36Å; M300-I364 HydrophobicContact CB-CG2 4.12Å; M300-I364 CarbonylContact O-C 3.59Å; M300-I364 WeakPolarHBondContact O-CA 3.47Å; L348-I364 HydrophobicContact CD1-CD1 4.31Å; L348-I364 HydrophobicContact CD1-CG2 3.75Å; L352-I364 HydrophobicContact CD1-CD1 4.09Å; L352-I364 HydrophobicContact CD2-CD1 4.36Å; I362-I364 HydrophobicContact CG2-CD1 4.24Å; I362-I364 HydrophobicContact CG2-CG1 3.85Å; I364-L366 HydrophobicContact CB-CD1 4.34Å; I364-L366 HydrophobicContact CB-CG 4.18Å; I364-L366 HydrophobicContact CG2-CD1 4.13Å; I364-L366 HydrophobicContact CG2-CD2 3.53Å; I364-L366 HydrophobicContact CG2-CG 3.65Å; I364-M378 HydrophobicContact CD1-CE 3.34Å; I364-L416 HydrophobicContact CB-CB 4.4Å; I364-L416 HydrophobicContact CD1-CD2 4.44Å; I364-L416 PolarHBondContact N-O 3.49Å; I364-L416 PolarHBondContact O-N 2.71Å; I364-L418 HydrophobicContact CD1-CD1 4.03Å
365	Y	97.5	Very high	90.8	Very high	14 Å²	14	15.7 Å²	15.7	6%	0.055	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	113.4	173.4	-170	-101.5	0	0	0	110	T99 I103 Q107 M300 W304 Y405 A413	T99-Y365 HydrophobicContact CG2-CE2 3.9Å; I103-Y365 HydrophobicContact CG2-CE2 4.04Å; Q107-Y365 VanDerWaalsContact NE2-CD2 3.32Å; M300-Y365 PolarHBondContact O-N 3.29Å; W304-Y365 HydrophobicContact CH2-CD1 4.49Å; W304-Y365 AromaticContact CH2-CE1 4Å; W304-Y365 HydrophobicContact CH2-CE1 4Å; W304-Y365 AromaticContact CZ2-CD1 3.49Å; W304-Y365 HydrophobicContact CZ2-CD1 3.49Å; W304-Y365 VanDerWaalsContact CZ2-CD1 3.49Å; W304-Y365 AromaticContact CZ2-CE1 3.42Å; W304-Y365 HydrophobicContact CZ2-CE1 3.42Å; W304-Y365 VanDerWaalsContact CZ2-CE1 3.42Å; W304-Y365 PolarHBondContact NE1-O 3.39Å; Y365-Y405 AromaticContact CD2-CD2 3.64Å; Y365-Y405 HydrophobicContact CD2-CD2 3.64Å; Y365-Y405 AromaticContact CD2-CE2 3.62Å; Y365-Y405 HydrophobicContact CD2-CE2 3.62Å; Y365-Y405 AromaticContact CE2-CD2 3.45Å; Y365-Y405 HydrophobicContact CE2-CD2 3.45Å; Y365-Y405 VanDerWaalsContact CE2-CD2 3.45Å; Y365-Y405 AromaticContact CE2-CE2 3.91Å; Y365-Y405 HydrophobicContact CE2-CE2 3.91Å; Y365-Y405 HydrophobicContact CE2-CG 4.3Å; Y365-A413 HydrophobicContact CD1-CB 4.33Å; Y365-A413 HydrophobicContact CD2-CB 4.07Å; Y365-A413 HydrophobicContact CE1-CB 3.68Å; Y365-A413 HydrophobicContact CE2-CB 3.42Å; Y365-A413 VanDerWaalsContact CE2-CB 3.42Å; Y365-A413 VanDerWaalsContact OH-CB 3.28Å; Y365-A413 WeakPolarHBondContact OH-CB 3.34Å
366	L	95.5	Very high	90.8	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	159.9	-165.7	-70	177.1	0	0	0	113.3	W304 L342 I345 L348 I364 R368 L375 M378 A413 L414 L416	W304-L366 VanDerWaalsContact CZ2-C 3.47Å; W304-L366 WeakPolarHBondContact CZ2-O 3.15Å; L342-L366 HydrophobicContact CD1-CD1 4.19Å; L342-L366 HydrophobicContact CD2-CD1 4.3Å; L342-L366 HydrophobicContact CD2-CD2 3.95Å; I345-L366 HydrophobicContact CD1-CD2 4.18Å; L348-L366 HydrophobicContact CD2-CD2 3.85Å; I364-L366 HydrophobicContact CB-CD1 4.34Å; I364-L366 HydrophobicContact CB-CG 4.18Å; I364-L366 HydrophobicContact CG2-CD1 4.13Å; I364-L366 HydrophobicContact CG2-CD2 3.53Å; I364-L366 HydrophobicContact CG2-CG 3.65Å; L366-R368 PolarHBondContact O-N 3.16Å; L366-L375 HydrophobicContact CD1-CD2 3.35Å; L366-M378 HydrophobicContact CD1-CE 4.5Å; L366-M378 HydrophobicContact CD1-SD 4.12Å; L366-A413 WeakPolarHBondContact O-CA 3.28Å; L366-A413 WeakPolarHBondContact O-CB 3.43Å; L366-L414 PolarHBondContact N-O 2.8Å; L366-L414 PolarHBondContact O-N 2.9Å; L366-L416 HydrophobicContact CD1-CB 3.85Å; L366-L416 HydrophobicContact CD1-CD2 3.98Å
367	P	91.9	Very high	90.9	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	137	176.1	-22.8	30	0	0	0	112.7	W304 Y309 I345 N369 S370	W304-P367 HydrophobicContact CB-CG 3.92Å; W304-P367 HydrophobicContact CD2-CB 4.25Å; W304-P367 HydrophobicContact CD2-CG 3.56Å; W304-P367 HydrophobicContact CE3-CB 3.93Å; W304-P367 HydrophobicContact CE3-CG 3.68Å; W304-P367 HydrophobicContact CG-CG 3.65Å; W304-P367 HydrophobicContact CZ3-CB 4.27Å; W304-P367 HydrophobicContact CZ3-CG 4.45Å; Y309-P367 WeakPolarHBondContact OH-CB 3.34Å; I345-P367 HydrophobicContact CD1-CG 3.93Å; P367-N369 WeakPolarHBondContact CB-OD1 3.47Å; P367-N369 PolarHBondContact O-N 3.12Å; P367-S370 WeakPolarHBondContact O-CB 3.21Å; P367-S370 PolarHBondContact O-N 3.07Å; P367-S370 PolarHBondContact O-OG 3.3Å
368	R	86.6	Confident	91.2	Very high	26 Å²	26	24 Å²	24	10%	0.098	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-24.3	176.1	60.4	177.2	-176.1	-99.4	119	115	Y309 I310 E337 L366 Q411	Y309-R368 WeakPolarHBondContact OH-CG 3.4Å; Y309-R368 PolarHBondContact OH-N 3.44Å; Y309-R368 PolarHBondContact OH-NH1 2.89Å; I310-R368 PolarHBondContact O-NH1 2.72Å; I310-R368 PolarHBondContact O-NH2 2.77Å; E337-R368 VanDerWaalsContact CD-NE 3.28Å; E337-R368 IonicContact OE1-CZ 3.96Å; E337-R368 IonicContact OE1-NE 3.55Å; E337-R368 PolarHBondContact OE1-NE 2.92Å; E337-R368 IonicContact OE1-NH1 3.15Å; E337-R368 PolarHBondContact OE1-NH1 3.49Å; E337-R368 IonicContact OE1-NH2 3.77Å; E337-R368 IonicContact OE2-CZ 2.8Å; E337-R368 IonicContact OE2-NE 2.86Å; E337-R368 PolarHBondContact OE2-NE 3.24Å; E337-R368 IonicContact OE2-NH1 3.35Å; E337-R368 PolarHBondContact OE2-NH1 2.97Å; L366-R368 PolarHBondContact O-N 3.16Å; R368-Q411 HydrophobicContact CB-CG 3.82Å; R368-Q411 VanDerWaalsContact CD-O 3.29Å; R368-Q411 WeakPolarHBondContact CD-O 3.43Å; R368-Q411 PolarHBondContact O-NE2 3.25Å
369	N	82.3	Confident	91.5	Very high	8 Å²	8	24 Å²	24	4%	0.043	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	10.4	-178	65.9	-7.3	0	0	0	114	Y309 F314 P338 P367 S371	Y309-N369 PolarHBondContact OH-OD1 3.44Å; F314-N369 HydrophobicContact CD2-CB 3.79Å; F314-N369 HydrophobicContact CE2-CB 3.9Å; P338-N369 PolarHBondContact O-ND2 2.8Å; P338-N369 VanDerWaalsContact O-ND2 3.13Å; P367-N369 WeakPolarHBondContact CB-OD1 3.47Å; P367-N369 PolarHBondContact O-N 3.12Å; N369-S371 PolarHBondContact O-N 3Å
370	S	87.7	Confident	91.6	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.028	15%	0.146	C	C	.	.			trans	-61.4	133.8	176.3	-53.9	0	0	0	0	110.7	L342 P367	L342-S370 WeakPolarHBondContact CD2-OG 3.47Å; P367-S370 WeakPolarHBondContact O-CB 3.21Å; P367-S370 PolarHBondContact O-N 3.07Å; P367-S370 PolarHBondContact O-OG 3.3Å
371	S	86	Confident	91.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.			trans	-72.5	141.3	179.1	65	0	0	0	0	111.7	T319 N369 G373 Q374 L375	T319-S371 WeakPolarHBondContact O-CB 3.4Å; N369-S371 PolarHBondContact O-N 3Å; S371-G373 PolarHBondContact O-N 3.48Å; S371-Q374 PolarHBondContact O-N 3.44Å; S371-Q374 VanDerWaalsContact OG-CB 3.29Å; S371-Q374 WeakPolarHBondContact OG-CB 3.44Å; S371-Q374 WeakPolarHBondContact OG-CG 3.35Å; S371-Q374 PolarHBondContact OG-N 3.19Å; S371-Q374 PolarHBondContact OG-OE1 3.31Å; S371-L375 WeakPolarHBondContact O-CG 3.31Å; S371-L375 PolarHBondContact O-N 2.92Å
372	I	87.7	Confident	91.3	Very high	87 Å²	87	29 Å²	29	45%	0.446	15%	0.147	S	C	.	.	H	α-helix	trans	-54.8	-38	176.1	-172.9	57.4	0	0	0	112.3	L375 I376 I402	I372-L375 PolarHBondContact O-N 3.29Å; I372-I376 HydrophobicContact CD1-CD1 4.18Å; I372-I376 HydrophobicContact CD1-CG1 4.37Å; I372-I376 HydrophobicContact CG1-CD1 3.93Å; I372-I376 WeakPolarHBondContact O-CG1 3.36Å; I372-I376 PolarHBondContact O-N 3.35Å; I372-I402 HydrophobicContact CD1-CD1 3.14Å
373	G	88.9	Confident	90.5	Very high	28 Å²	28	30.6 Å²	30.6	29%	0.289	16%	0.164	S	C	.	.	H	α-helix	trans	-63.9	-40.7	177	0	0	0	0	0	112.8	S371 Q377	S371-G373 PolarHBondContact O-N 3.48Å; G373-Q377 WeakPolarHBondContact O-CB 3.47Å; G373-Q377 PolarHBondContact O-N 3.2Å
374	Q	90.7	Very high	89.5	Confident	13 Å²	13	38.1 Å²	38.1	6%	0.061	20%	0.204	C	C	.	.	H	α-helix	trans	-67.7	-40	175.6	-75	169.4	-41.4	0	0	111.7	N341 L342 S371 Q377 M378	N341-Q374 PolarHBondContact OD1-NE2 3.04Å; L342-Q374 HydrophobicContact CD1-CB 3.72Å; L342-Q374 HydrophobicContact CG-CB 4.06Å; S371-Q374 PolarHBondContact O-N 3.44Å; S371-Q374 VanDerWaalsContact OG-CB 3.29Å; S371-Q374 WeakPolarHBondContact OG-CB 3.44Å; S371-Q374 WeakPolarHBondContact OG-CG 3.35Å; S371-Q374 PolarHBondContact OG-N 3.19Å; S371-Q374 PolarHBondContact OG-OE1 3.31Å; Q374-Q377 PolarHBondContact O-N 2.82Å; Q374-M378 WeakPolarHBondContact O-CG 3.47Å; Q374-M378 PolarHBondContact O-N 2.75Å
375	L	92.6	Very high	88.6	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-61.4	-45.6	176.7	-64.7	172.9	0	0	0	111.8	L342 L366 S371 I372 M378 I402 L414 L416	L342-L375 HydrophobicContact CD1-CD2 3.81Å; L342-L375 HydrophobicContact CD1-CG 4.4Å; L366-L375 HydrophobicContact CD1-CD2 3.35Å; S371-L375 WeakPolarHBondContact O-CG 3.31Å; S371-L375 PolarHBondContact O-N 2.92Å; I372-L375 PolarHBondContact O-N 3.29Å; L375-M378 WeakPolarHBondContact O-CB 3.3Å; L375-M378 PolarHBondContact O-N 2.95Å; L375-I402 HydrophobicContact CB-CD1 3.89Å; L375-I402 HydrophobicContact CD1-CD1 3.86Å; L375-I402 HydrophobicContact CD1-CG1 4.34Å; L375-I402 HydrophobicContact CD1-CG2 4.12Å; L375-L414 HydrophobicContact CD1-CD1 3.89Å; L375-L416 HydrophobicContact CB-CD1 4.2Å; L375-L416 HydrophobicContact CB-CD2 4.44Å; L375-L416 HydrophobicContact CD2-CB 4.3Å; L375-L416 HydrophobicContact CD2-CD2 4.03Å
376	I	92.5	Very high	87.6	Confident	75 Å²	75	47.2 Å²	47.2	39%	0.385	25%	0.25	S	C	.	.	H	α-helix	trans	-66.2	-38.9	176.9	-66.7	167.8	0	0	0	110.9	I372 M378 S379 W380	I372-I376 HydrophobicContact CD1-CD1 4.18Å; I372-I376 HydrophobicContact CD1-CG1 4.37Å; I372-I376 HydrophobicContact CG1-CD1 3.93Å; I372-I376 WeakPolarHBondContact O-CG1 3.36Å; I372-I376 PolarHBondContact O-N 3.35Å; I376-M378 PolarHBondContact O-N 3.19Å; I376-S379 PolarHBondContact O-N 3.12Å; I376-S379 PolarHBondContact O-OG 2.79Å; I376-W380 VanDerWaalsContact O-CD1 3.25Å
377	Q	91.8	Very high	86.5	Confident	93 Å²	93	53.2 Å²	53.2	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-60	-30.4	179.3	-172	178.6	11.4	0	0	112.7	G373 Q374 S379 W380	G373-Q377 WeakPolarHBondContact O-CB 3.47Å; G373-Q377 PolarHBondContact O-N 3.2Å; Q374-Q377 PolarHBondContact O-N 2.82Å; Q377-S379 PolarHBondContact O-N 3.07Å; Q377-W380 HydrophobicContact CG-CD2 4.25Å; Q377-W380 HydrophobicContact CG-CE3 4.26Å; Q377-W380 VanDerWaalsContact O-CB 3.3Å; Q377-W380 WeakPolarHBondContact O-CB 2.83Å; Q377-W380 PolarHBondContact O-N 2.82Å; Q377-W380 VanDerWaalsContact O-N 3.09Å
378	M	92.5	Very high	85.7	Confident	16 Å²	16	56.1 Å²	56.1	8%	0.079	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.8	176.9	-67.7	174.9	73.1	0	0	113.5	L342 L348 L352 R356 I364 L366 Q374 L375 I376 L416 L418	L342-M378 HydrophobicContact CB-SD 4.46Å; L342-M378 HydrophobicContact CD1-CG 4.38Å; L342-M378 HydrophobicContact CD1-SD 3.38Å; L342-M378 WeakPolarHBondContact CD1-SD 3.48Å; L342-M378 HydrophobicContact CG-SD 4.47Å; L348-M378 HydrophobicContact CD1-CE 3.89Å; L348-M378 HydrophobicContact CD2-CE 4Å; L348-M378 HydrophobicContact CG-CE 4.13Å; L352-M378 HydrophobicContact CD2-CB 3.95Å; L352-M378 HydrophobicContact CD2-CE 3.58Å; L352-M378 HydrophobicContact CD2-CG 4.29Å; R356-M378 PolarHBondContact NH1-O 3.37Å; I364-M378 HydrophobicContact CD1-CE 3.34Å; L366-M378 HydrophobicContact CD1-CE 4.5Å; L366-M378 HydrophobicContact CD1-SD 4.12Å; Q374-M378 WeakPolarHBondContact O-CG 3.47Å; Q374-M378 PolarHBondContact O-N 2.75Å; L375-M378 WeakPolarHBondContact O-CB 3.3Å; L375-M378 PolarHBondContact O-N 2.95Å; I376-M378 PolarHBondContact O-N 3.19Å; M378-L416 HydrophobicContact CB-CD2 4.01Å; M378-L416 HydrophobicContact CE-CD2 4.03Å; M378-L416 HydrophobicContact CG-CD2 4.37Å; M378-L416 HydrophobicContact SD-CD2 3.53Å; M378-L416 VanDerWaalsContact SD-CD2 3.53Å; M378-L418 HydrophobicContact CB-CD1 4.39Å
379	S	91.9	Very high	85.1	Confident	5 Å²	5	59.4 Å²	59.4	4%	0.035	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-10.6	176.6	85.3	0	0	0	0	114.1	R356 I376 Q377 Y397 L398 V400	R356-S379 PolarHBondContact NH1-O 3.03Å; I376-S379 PolarHBondContact O-N 3.12Å; I376-S379 PolarHBondContact O-OG 2.79Å; Q377-S379 PolarHBondContact O-N 3.07Å; S379-Y397 WeakPolarHBondContact O-CA 3.43Å; S379-L398 VanDerWaalsContact CB-O 3.28Å; S379-L398 WeakPolarHBondContact CB-O 3.29Å; S379-L398 PolarHBondContact O-N 3.5Å; S379-L398 PolarHBondContact OG-O 3.3Å; S379-V400 WeakPolarHBondContact OG-CG2 3.5Å
380	W	92.4	Very high	84.6	Confident	125 Å²	125	65.3 Å²	65.3	47%	0.473	35%	0.352	S	S	.	.	S	Bend	trans	-67	151.9	-172.7	-72	17.3	0	0	0	112.2	R356 I376 Q377 L382 Y397	R356-W380 PolarHBondContact NH1-O 3.37Å; R356-W380 PolarHBondContact NH2-O 3.39Å; I376-W380 VanDerWaalsContact O-CD1 3.25Å; Q377-W380 HydrophobicContact CG-CD2 4.25Å; Q377-W380 HydrophobicContact CG-CE3 4.26Å; Q377-W380 VanDerWaalsContact O-CB 3.3Å; Q377-W380 WeakPolarHBondContact O-CB 2.83Å; Q377-W380 PolarHBondContact O-N 2.82Å; Q377-W380 VanDerWaalsContact O-N 3.09Å; W380-L382 PolarHBondContact O-N 3.14Å; W380-Y397 HydrophobicContact CB-CD1 4.47Å; W380-Y397 HydrophobicContact CB-CE1 4.07Å; W380-Y397 AromaticContact CD1-CD1 3.75Å; W380-Y397 AromaticContact CD1-CE1 3.39Å; W380-Y397 HydrophobicContact CD2-CE1 4.23Å; W380-Y397 HydrophobicContact CG-CD1 4.23Å; W380-Y397 AromaticContact CG-CE1 3.63Å; W380-Y397 HydrophobicContact CG-CE1 3.63Å; W380-Y397 AromaticContact NE1-CE1 3.78Å
381	P	89.6	Confident	84.3	Confident	43 Å²	43	65.5 Å²	65.5	28%	0.279	35%	0.354	S	S	.	.			trans	-50.3	136.4	170.9	-26.6	34.2	0	0	0	111.7	G383 C394 Y397	P381-G383 PolarHBondContact O-N 3.26Å; P381-C394 CarbonylContact C-O 3.4Å; P381-C394 WeakPolarHBondContact CA-O 3.48Å; P381-C394 VanDerWaalsContact CB-O 3.22Å; P381-C394 WeakPolarHBondContact CB-O 3.36Å; P381-Y397 VanDerWaalsContact CD-CZ 3.45Å; P381-Y397 HydrophobicContact CG-CD2 3.82Å; P381-Y397 HydrophobicContact CG-CE2 3.68Å; P381-Y397 HydrophobicContact CG-CG 4.29Å
382	L	86	Confident	83.9	Confident	68 Å²	68	68.3 Å²	68.3	36%	0.356	37%	0.373	S	S	.	.			trans	-77.7	-12.1	176.3	-60.1	-177.8	0	0	0	112.4	N353 W380 C394	N353-L382 HydrophobicContact CB-CD1 3.88Å; N353-L382 WeakPolarHBondContact OD1-CD2 3.35Å; W380-L382 PolarHBondContact O-N 3.14Å; L382-C394 HydrophobicContact CB-CB 4.34Å; L382-C394 PolarHBondContact N-O 2.97Å
383	G	80.1	Confident	83.5	Confident	35 Å²	35	64.5 Å²	64.5	36%	0.361	35%	0.354	S	S	.	.			trans	87.6	-142.2	-175.1	0	0	0	0	0	111.8	P381 C385 C394	P381-G383 PolarHBondContact O-N 3.26Å; G383-C385 PolarHBondContact O-N 3.07Å; G383-C394 PolarHBondContact N-O 3.16Å
384	N	77	Confident	83.2	Confident	158 Å²	158	63.2 Å²	63.2	85%	0.845	34%	0.34	S	S	*	.	S	Bend	trans	-69.1	119.3	-178.4	-71.8	-14.2	0	0	0	110.2	E386	N384-E386 PolarHBondContact O-N 3.02Å
385	C	79.2	Confident	83	Confident	30 Å²	30	68 Å²	68	20%	0.203	36%	0.361	C	S	.	.			trans	-75.6	119.6	178.7	177.2	0	0	0	0	110.3	H357 G383 Y387 I388 C391 C394	H357-C385 PolarHBondContact CE1-SG 3.35Å; G383-C385 PolarHBondContact O-N 3.07Å; C385-Y387 PolarHBondContact O-N 3.03Å; C385-Y387 PolarHBondContact SG-N 3.5Å; C385-I388 WeakPolarHBondContact CB-O 3.3Å; C385-I388 PolarHBondContact SG-N 3.35Å; C385-I388 PolarHBondContact SG-O 3.18Å; C385-I388 VanDerWaalsContact SG-O 3.37Å; C385-C391 HydrophobicContact CB-CB 3.43Å; C385-C391 VanDerWaalsContact CB-CB 3.43Å; C385-C391 VanDerWaalsContact SG-CB 3.58Å; C385-C394 HydrophobicContact CB-CB 4.11Å
386	E	77.3	Confident	82.6	Confident	175 Å²	175	73.4 Å²	73.4	82%	0.818	39%	0.386	S	S	*	.	S	Bend	trans	-75	-14.8	174.7	-63.6	179.4	173.2	0	0	112.8	N384	N384-E386 PolarHBondContact O-N 3.02Å
387	Y	72.6	Confident	82.6	Confident	126 Å²	126	77 Å²	77	49%	0.494	40%	0.396	S	S	.	.	S	Bend	trans	-103	-28.4	-169.8	-56.5	-69.8	0	0	0	114.7	H357 C385	H357-Y387 AromaticContact NE2-CD2 3.55Å; C385-Y387 PolarHBondContact O-N 3.03Å; C385-Y387 PolarHBondContact SG-N 3.5Å
388	I	74.4	Confident	82.5	Confident	60 Å²	60	73.7 Å²	73.7	31%	0.308	38%	0.381	S	S	.	.	S	Bend	trans	-142.8	116.2	-172.2	-60	172.4	0	0	0	107.2	H357 C385 D390 C391	H357-I388 HydrophobicContact CB-CD1 4.03Å; C385-I388 WeakPolarHBondContact CB-O 3.3Å; C385-I388 PolarHBondContact SG-N 3.35Å; C385-I388 PolarHBondContact SG-O 3.18Å; C385-I388 VanDerWaalsContact SG-O 3.37Å; I388-D390 PolarHBondContact O-N 2.93Å; I388-C391 HydrophobicContact CB-CB 3.91Å; I388-C391 HydrophobicContact CG2-CB 4.06Å; I388-C391 WeakPolarHBondContact O-CB 3.42Å; I388-C391 PolarHBondContact O-N 3.11Å
389	A	73.5	Confident	82.5	Confident	95 Å²	95	77.8 Å²	77.8	79%	0.785	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	130.4	172.5	0	0	0	0	0	109.6	C391	A389-C391 VanDerWaalsContact C-N 3.27Å; A389-C391 PolarHBondContact O-N 2.82Å
390	D	73.1	Confident	82.6	Confident	132 Å²	132	80 Å²	80	71%	0.706	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	33.7	-177.7	-68	-47.3	0	0	0	116.6	I388 C392 K395	I388-D390 PolarHBondContact O-N 2.93Å; D390-C392 PolarHBondContact O-N 3.35Å; D390-K395 IonicContact OD1-NZ 2.81Å; D390-K395 PolarHBondContact OD1-NZ 3Å
391	C	80.6	Confident	82.7	Confident	9 Å²	9	76.2 Å²	76.2	6%	0.061	40%	0.404	C	S	.	.			trans	-55.5	103	174.2	-168.7	0	0	0	0	113	H357 C385 I388 A389 S393 C394	H357-C391 PolarHBondContact ND1-SG 3.05Å; C385-C391 HydrophobicContact CB-CB 3.43Å; C385-C391 VanDerWaalsContact CB-CB 3.43Å; C385-C391 VanDerWaalsContact SG-CB 3.58Å; I388-C391 HydrophobicContact CB-CB 3.91Å; I388-C391 HydrophobicContact CG2-CB 4.06Å; I388-C391 WeakPolarHBondContact O-CB 3.42Å; I388-C391 PolarHBondContact O-N 3.11Å; A389-C391 VanDerWaalsContact C-N 3.27Å; A389-C391 PolarHBondContact O-N 2.82Å; C391-S393 VanDerWaalsContact C-N 3.33Å; C391-S393 PolarHBondContact O-N 3.02Å; C391-C394 HydrophobicContact CB-CB 4.25Å; C391-C394 PolarHBondContact O-N 3.17Å
392	C	78.2	Confident	82.9	Confident	58 Å²	58	76.4 Å²	76.4	39%	0.392	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-38.8	179	59.6	0	0	0	0	112.4	D390 C394 K395 Q396	D390-C392 PolarHBondContact O-N 3.35Å; C392-C394 PolarHBondContact O-N 3Å; C392-K395 PolarHBondContact O-N 3.1Å; C392-Q396 WeakPolarHBondContact O-CG 3.42Å; C392-Q396 PolarHBondContact O-N 2.84Å
393	S	78.4	Confident	83.3	Confident	7 Å²	7	74.3 Å²	74.3	5%	0.049	39%	0.391	C	S	.	.	H	α-helix	trans	-58.4	-31.8	178.9	175.9	0	0	0	0	113.4	R356 C391	R356-S393 PolarHBondContact NH2-O 3.46Å; R356-S393 VanDerWaalsContact NH2-O 3.15Å; R356-S393 WeakPolarHBondContact O-CB 3.38Å; R356-S393 PolarHBondContact O-OG 3.26Å; C391-S393 VanDerWaalsContact C-N 3.33Å; C391-S393 PolarHBondContact O-N 3.02Å
394	C	83.7	Confident	84	Confident	1 Å²	1	76 Å²	76	1%	0.007	39%	0.394	C	S	.	.	H	α-helix	trans	-80.1	-19.2	178	-73.6	0	0	0	0	113.8	H357 P381 L382 G383 C385 C391 C392	H357-C394 PolarHBondContact CE1-SG 3.44Å; P381-C394 CarbonylContact C-O 3.4Å; P381-C394 WeakPolarHBondContact CA-O 3.48Å; P381-C394 VanDerWaalsContact CB-O 3.22Å; P381-C394 WeakPolarHBondContact CB-O 3.36Å; L382-C394 HydrophobicContact CB-CB 4.34Å; L382-C394 PolarHBondContact N-O 2.97Å; G383-C394 PolarHBondContact N-O 3.16Å; C385-C394 HydrophobicContact CB-CB 4.11Å; C391-C394 HydrophobicContact CB-CB 4.25Å; C391-C394 PolarHBondContact O-N 3.17Å; C392-C394 PolarHBondContact O-N 3Å
395	K	84.7	Confident	84.8	Confident	115 Å²	115	68.7 Å²	68.7	50%	0.5	36%	0.355	S	S	.	.	H	α-helix	trans	-92.9	-4	-179.2	-62.5	179.4	-175.5	175.7	0	112.2	D390 C392	D390-K395 IonicContact OD1-NZ 2.81Å; D390-K395 PolarHBondContact OD1-NZ 3Å; C392-K395 PolarHBondContact O-N 3.1Å
396	Q	86.1	Confident	85.5	Confident	116 Å²	116	68.5 Å²	68.5	54%	0.542	35%	0.354	S	S	.	.	S	Bend	trans	-115.9	151	-173.5	-68.8	177.4	-14.8	0	0	112.8	R356 C392	R356-Q396 PolarHBondContact NH2-O 3.17Å; C392-Q396 WeakPolarHBondContact O-CG 3.42Å; C392-Q396 PolarHBondContact O-N 2.84Å
397	Y	90.9	Very high	86.1	Confident	150 Å²	150	60.9 Å²	60.9	59%	0.588	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-76.9	139.2	166.2	-70.8	-95.2	0	0	0	109.2	S379 W380 P381	S379-Y397 WeakPolarHBondContact O-CA 3.43Å; W380-Y397 HydrophobicContact CB-CD1 4.47Å; W380-Y397 HydrophobicContact CB-CE1 4.07Å; W380-Y397 AromaticContact CD1-CD1 3.75Å; W380-Y397 AromaticContact CD1-CE1 3.39Å; W380-Y397 HydrophobicContact CD2-CE1 4.23Å; W380-Y397 HydrophobicContact CG-CD1 4.23Å; W380-Y397 AromaticContact CG-CE1 3.63Å; W380-Y397 HydrophobicContact CG-CE1 3.63Å; W380-Y397 AromaticContact NE1-CE1 3.78Å; P381-Y397 VanDerWaalsContact CD-CZ 3.45Å; P381-Y397 HydrophobicContact CG-CD2 3.82Å; P381-Y397 HydrophobicContact CG-CE2 3.68Å; P381-Y397 HydrophobicContact CG-CG 4.29Å
398	L	90.8	Very high	86.8	Confident	24 Å²	24	59.8 Å²	59.8	13%	0.126	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-88.1	144.5	168.8	-61.8	177.7	0	0	0	109.9	R356 S379 L418	R356-L398 HydrophobicContact CG-CD1 4.12Å; S379-L398 VanDerWaalsContact CB-O 3.28Å; S379-L398 WeakPolarHBondContact CB-O 3.29Å; S379-L398 PolarHBondContact O-N 3.5Å; S379-L398 PolarHBondContact OG-O 3.3Å; L398-L418 HydrophobicContact CB-CB 4.28Å; L398-L418 HydrophobicContact CD1-CB 3.93Å
399	N	92.4	Very high	87.3	Confident	102 Å²	102	59.8 Å²	59.8	55%	0.545	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-58.4	140.4	168.3	-73.5	-25.6	0	0	0	109.4	L418 G419 S420	N399-L418 CarbonylContact O-C 3.54Å; N399-L418 VanDerWaalsContact O-CA 3.3Å; N399-L418 WeakPolarHBondContact O-CA 3.23Å; N399-G419 PolarHBondContact O-N 2.99Å; N399-S420 PolarHBondContact ND2-OG 3.43Å; N399-S420 VanDerWaalsContact ND2-OG 3.12Å
400	V	93.9	Very high	87.9	Confident	52 Å²	52	61.4 Å²	61.4	32%	0.315	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.3	-177.4	175.4	0	0	0	0	109.2	S379 I402 L416 Y417 L418	S379-V400 WeakPolarHBondContact OG-CG2 3.5Å; V400-I402 HydrophobicContact CG1-CD1 3.97Å; V400-I402 HydrophobicContact CG1-CG1 3.83Å; V400-L416 HydrophobicContact CG1-CD1 3.66Å; V400-Y417 WeakPolarHBondContact CA-O 3.3Å; V400-L418 HydrophobicContact CG2-CD2 3.89Å
401	H	94.9	Very high	88.6	Confident	45 Å²	45	58 Å²	58	21%	0.208	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.4	164.9	177.8	-89.5	0	0	0	109.1	Y417 F424	H401-Y417 PolarHBondContact N-O 3.4Å; H401-Y417 AromaticContact ND1-CD2 3.61Å; H401-Y417 PolarHBondContact O-N 3.06Å; H401-F424 HydrophobicContact CB-CD2 3.9Å; H401-F424 HydrophobicContact CB-CE2 4.38Å; H401-F424 HydrophobicContact CB-CG 4.32Å; H401-F424 AromaticContact CD2-CG 3.95Å; H401-F424 AromaticContact CE1-CD1 3.74Å; H401-F424 AromaticContact CE1-CE1 3.49Å; H401-F424 VanDerWaalsContact CE1-CE1 3.49Å; H401-F424 WeakPolarHBondContact CE1-CE1 3.38Å; H401-F424 AromaticContact CE1-CZ 3.74Å; H401-F424 AromaticContact CG-CD2 3.72Å; H401-F424 AromaticContact CG-CG 3.84Å; H401-F424 AromaticContact ND1-CD1 3.97Å; H401-F424 AromaticContact ND1-CD2 3.75Å; H401-F424 AromaticContact ND1-CE1 3.76Å; H401-F424 AromaticContact ND1-CE2 3.58Å; H401-F424 AromaticContact ND1-CG 3.98Å; H401-F424 AromaticContact ND1-CZ 3.57Å; H401-F424 AromaticContact NE2-CD1 3.81Å
402	I	94.1	Very high	89	Confident	46 Å²	46	59.3 Å²	59.3	24%	0.236	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	123.9	-177.1	-62.9	164.8	0	0	0	108.4	I372 L375 V400 L414 G415 L416	I372-I402 HydrophobicContact CD1-CD1 3.14Å; L375-I402 HydrophobicContact CB-CD1 3.89Å; L375-I402 HydrophobicContact CD1-CD1 3.86Å; L375-I402 HydrophobicContact CD1-CG1 4.34Å; L375-I402 HydrophobicContact CD1-CG2 4.12Å; V400-I402 HydrophobicContact CG1-CD1 3.97Å; V400-I402 HydrophobicContact CG1-CG1 3.83Å; I402-L414 HydrophobicContact CG2-CD2 4.45Å; I402-G415 WeakPolarHBondContact CA-O 3.38Å; I402-L416 HydrophobicContact CD1-CD1 4.45Å; I402-L416 HydrophobicContact CG1-CD1 3.79Å
403	E	94.2	Very high	89.8	Confident	25 Å²	25	56.5 Å²	56.5	12%	0.117	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	145.7	178.7	-173.2	168.9	-154.2	0	0	110.4	H106 Y405 L414 G415 Y417	H106-E403 IonicContact CD2-OE1 3.77Å; H106-E403 IonicContact CD2-OE2 3.12Å; H106-E403 IonicContact CE1-OE1 2.69Å; H106-E403 PolarHBondContact CE1-OE1 2.91Å; H106-E403 VanDerWaalsContact NE2-CD 3.28Å; H106-E403 IonicContact NE2-OE1 2.56Å; H106-E403 PolarHBondContact NE2-OE1 3.02Å; H106-E403 IonicContact NE2-OE2 3.38Å; H106-E403 PolarHBondContact NE2-OE2 2.74Å; E403-Y405 HydrophobicContact CB-CE1 4.43Å; E403-Y405 HydrophobicContact CG-CD1 4.32Å; E403-Y405 HydrophobicContact CG-CE1 3.95Å; E403-Y405 WeakPolarHBondContact OE2-CE1 3.5Å; E403-L414 CarbonylContact O-C 3.54Å; E403-L414 WeakPolarHBondContact O-CA 3.41Å; E403-G415 PolarHBondContact N-O 3.06Å; E403-G415 PolarHBondContact O-N 2.89Å; E403-Y417 HydrophobicContact CB-CD2 4.48Å; E403-Y417 HydrophobicContact CB-CE2 3.77Å; E403-Y417 VanDerWaalsContact OE2-CE2 3.25Å; E403-Y417 WeakPolarHBondContact OE2-CE2 3.39Å; E403-Y417 PolarHBondContact OE2-OH 3.48Å
404	T	93.8	Very high	90.5	Very high	71 Å²	71	56.8 Å²	56.8	44%	0.436	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	121.6	174.7	-60.9	0	0	0	0	109.3	Q411 L414	T404-Q411 HydrophobicContact CG2-CB 4.14Å; T404-Q411 VanDerWaalsContact CG2-CD 3.44Å; T404-Q411 HydrophobicContact CG2-CG 3.47Å; T404-Q411 VanDerWaalsContact CG2-CG 3.47Å; T404-L414 HydrophobicContact CG2-CD2 4.44Å
405	Y	94.8	Very high	91.1	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	113.6	176.3	-60.3	-50.7	0	0	0	110.8	I103 H106 Q107 Y365 E403 L412 A413 G415 Y417	I103-Y405 HydrophobicContact CG2-CD1 3.74Å; I103-Y405 HydrophobicContact CG2-CD2 4.02Å; I103-Y405 HydrophobicContact CG2-CE1 4.25Å; I103-Y405 HydrophobicContact CG2-CE2 4.46Å; I103-Y405 HydrophobicContact CG2-CG 3.62Å; H106-Y405 AromaticContact CD2-CE1 3.81Å; Q107-Y405 HydrophobicContact CG-CE1 4.23Å; Q107-Y405 VanDerWaalsContact NE2-CE2 3.28Å; Q107-Y405 PolarHBondContact NE2-OH 3.37Å; Y365-Y405 AromaticContact CD2-CD2 3.64Å; Y365-Y405 HydrophobicContact CD2-CD2 3.64Å; Y365-Y405 AromaticContact CD2-CE2 3.62Å; Y365-Y405 HydrophobicContact CD2-CE2 3.62Å; Y365-Y405 AromaticContact CE2-CD2 3.45Å; Y365-Y405 HydrophobicContact CE2-CD2 3.45Å; Y365-Y405 VanDerWaalsContact CE2-CD2 3.45Å; Y365-Y405 AromaticContact CE2-CE2 3.91Å; Y365-Y405 HydrophobicContact CE2-CE2 3.91Å; Y365-Y405 HydrophobicContact CE2-CG 4.3Å; E403-Y405 HydrophobicContact CB-CE1 4.43Å; E403-Y405 HydrophobicContact CG-CD1 4.32Å; E403-Y405 HydrophobicContact CG-CE1 3.95Å; E403-Y405 WeakPolarHBondContact OE2-CE1 3.5Å; Y405-L412 PolarHBondContact O-N 2.95Å; Y405-A413 HydrophobicContact CD2-CB 4.2Å; Y405-A413 PolarHBondContact N-O 3.42Å; Y405-A413 PolarHBondContact O-N 3.48Å; Y405-G415 VanDerWaalsContact CE2-N 3.31Å; Y405-Y417 PolarHBondContact OH-OH 3.48Å
406	C	92.8	Very high	91.7	Very high	26 Å²	26	51.3 Å²	51.3	18%	0.176	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	147.3	178.3	-67.7	0	0	0	0	111.1	R410	C406-R410 CarbonylContact C-O 3.49Å; C406-R410 VanDerWaalsContact CA-O 3.24Å; C406-R410 WeakPolarHBondContact CA-O 3.47Å
407	L	89.9	Confident	92.2	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.073	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	128.9	169.7	-172.6	71.1	0	0	0	108.4	D79 P100 A102 I103 G409 R410 L412	D79-L407 HydrophobicContact CB-CD2 4.07Å; P100-L407 HydrophobicContact CB-CD2 3.83Å; P100-L407 HydrophobicContact CG-CD2 3.99Å; A102-L407 HydrophobicContact CB-CD1 4.24Å; I103-L407 HydrophobicContact CD1-CB 4.5Å; L407-G409 VanDerWaalsContact C-N 3.3Å; L407-G409 PolarHBondContact O-N 2.77Å; L407-R410 PolarHBondContact N-O 2.91Å; L407-R410 PolarHBondContact O-N 2.73Å; L407-L412 HydrophobicContact CB-CD1 3.54Å; L407-L412 HydrophobicContact CB-CG 4.14Å; L407-L412 HydrophobicContact CD2-CD1 3.92Å; L407-L412 HydrophobicContact CG-CD1 4.39Å
408	R	87.1	Confident	92.4	Very high	103 Å²	103	38.6 Å²	38.6	39%	0.389	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	48.6	-177.6	-58.8	178	-175.8	-158.7	2.5	112.3	D79 R410	D79-R408 VanDerWaalsContact CG-NH2 3.33Å; D79-R408 IonicContact OD1-CZ 3.12Å; D79-R408 IonicContact OD1-NE 3.99Å; D79-R408 IonicContact OD1-NH2 3.5Å; D79-R408 PolarHBondContact OD1-NH2 3.46Å; D79-R408 IonicContact OD2-CZ 3.53Å; D79-R408 IonicContact OD2-NE 2.9Å; D79-R408 PolarHBondContact OD2-NE 3.17Å; D79-R408 IonicContact OD2-NH2 2.74Å; D79-R408 PolarHBondContact OD2-NH2 2.94Å; D79-R408 VanDerWaalsContact OD2-NH2 3.12Å; R408-R410 PolarHBondContact O-N 3.39Å; R408-R410 VanDerWaalsContact O-N 3.15Å
409	G	85.7	Confident	92.5	Very high	61 Å²	61	38 Å²	38	63%	0.629	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	5.7	-178.5	0	0	0	0	0	116.2	L407	L407-G409 VanDerWaalsContact C-N 3.3Å; L407-G409 PolarHBondContact O-N 2.77Å
410	R	86.2	Confident	92.2	Very high	128 Å²	128	35.9 Å²	35.9	48%	0.483	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.3	179.5	-62.8	-176.1	-171.7	172.3	10	111.5	D20 C406 L407 R408 L412	D20-R410 IonicContact OD2-CZ 3.24Å; D20-R410 IonicContact OD2-NH1 3.71Å; D20-R410 PolarHBondContact OD2-NH1 3.45Å; D20-R410 IonicContact OD2-NH2 3.89Å; D20-R410 PolarHBondContact OD2-NH2 3.35Å; C406-R410 CarbonylContact C-O 3.49Å; C406-R410 VanDerWaalsContact CA-O 3.24Å; C406-R410 WeakPolarHBondContact CA-O 3.47Å; L407-R410 PolarHBondContact N-O 2.91Å; L407-R410 PolarHBondContact O-N 2.73Å; R408-R410 PolarHBondContact O-N 3.39Å; R408-R410 VanDerWaalsContact O-N 3.15Å; R410-L412 PolarHBondContact O-N 3.46Å
411	Q	88.3	Confident	91.9	Very high	62 Å²	62	33.7 Å²	33.7	29%	0.29	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	123.1	169.2	-179.5	177.5	0.7	0	0	110.2	R368 T404 L414	R368-Q411 HydrophobicContact CB-CG 3.82Å; R368-Q411 VanDerWaalsContact CD-O 3.29Å; R368-Q411 WeakPolarHBondContact CD-O 3.43Å; R368-Q411 PolarHBondContact O-NE2 3.25Å; T404-Q411 HydrophobicContact CG2-CB 4.14Å; T404-Q411 VanDerWaalsContact CG2-CD 3.44Å; T404-Q411 HydrophobicContact CG2-CG 3.47Å; T404-Q411 VanDerWaalsContact CG2-CG 3.47Å; Q411-L414 VanDerWaalsContact NE2-CD2 3.29Å
412	L	89.3	Confident	90.7	Very high	35 Å²	35	36 Å²	36	18%	0.183	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-39.8	178.5	-64.2	-172.8	0	0	0	112.4	P100 I103 Y405 L407 R410	P100-L412 HydrophobicContact CG-CD1 3.76Å; I103-L412 HydrophobicContact CD1-CD1 3.94Å; Y405-L412 PolarHBondContact O-N 2.95Å; L407-L412 HydrophobicContact CB-CD1 3.54Å; L407-L412 HydrophobicContact CB-CG 4.14Å; L407-L412 HydrophobicContact CD2-CD1 3.92Å; L407-L412 HydrophobicContact CG-CD1 4.39Å; R410-L412 PolarHBondContact O-N 3.46Å
413	A	93.3	Very high	89.5	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	175.7	-172.8	0	0	0	0	0	111.8	W304 Y365 L366 Y405	W304-A413 HydrophobicContact CH2-CB 4.15Å; W304-A413 HydrophobicContact CZ2-CB 4.21Å; Y365-A413 HydrophobicContact CD1-CB 4.33Å; Y365-A413 HydrophobicContact CD2-CB 4.07Å; Y365-A413 HydrophobicContact CE1-CB 3.68Å; Y365-A413 HydrophobicContact CE2-CB 3.42Å; Y365-A413 VanDerWaalsContact CE2-CB 3.42Å; Y365-A413 VanDerWaalsContact OH-CB 3.28Å; Y365-A413 WeakPolarHBondContact OH-CB 3.34Å; L366-A413 WeakPolarHBondContact O-CA 3.28Å; L366-A413 WeakPolarHBondContact O-CB 3.43Å; Y405-A413 HydrophobicContact CD2-CB 4.2Å; Y405-A413 PolarHBondContact N-O 3.42Å; Y405-A413 PolarHBondContact O-N 3.48Å
414	L	94.4	Very high	88.2	Confident	13 Å²	13	38 Å²	38	7%	0.068	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.1	169.4	-66.1	171.6	0	0	0	109.3	L366 L375 I402 E403 T404 Q411	L366-L414 PolarHBondContact N-O 2.8Å; L366-L414 PolarHBondContact O-N 2.9Å; L375-L414 HydrophobicContact CD1-CD1 3.89Å; I402-L414 HydrophobicContact CG2-CD2 4.45Å; E403-L414 CarbonylContact O-C 3.54Å; E403-L414 WeakPolarHBondContact O-CA 3.41Å; T404-L414 HydrophobicContact CG2-CD2 4.44Å; Q411-L414 VanDerWaalsContact NE2-CD2 3.29Å
415	G	96.6	Very high	86.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	118	167.5	0	0	0	0	0	109.7	I402 E403 Y405	I402-G415 WeakPolarHBondContact CA-O 3.38Å; E403-G415 PolarHBondContact N-O 3.06Å; E403-G415 PolarHBondContact O-N 2.89Å; Y405-G415 VanDerWaalsContact CE2-N 3.31Å
416	L	96.9	Very high	84	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	111.5	173	178.1	64.3	0	0	0	109.2	L363 I364 L366 L375 M378 V400 I402 L418	L363-L416 WeakPolarHBondContact CA-O 3.32Å; I364-L416 HydrophobicContact CB-CB 4.4Å; I364-L416 HydrophobicContact CD1-CD2 4.44Å; I364-L416 PolarHBondContact N-O 3.49Å; I364-L416 PolarHBondContact O-N 2.71Å; L366-L416 HydrophobicContact CD1-CB 3.85Å; L366-L416 HydrophobicContact CD1-CD2 3.98Å; L375-L416 HydrophobicContact CB-CD1 4.2Å; L375-L416 HydrophobicContact CB-CD2 4.44Å; L375-L416 HydrophobicContact CD2-CB 4.3Å; L375-L416 HydrophobicContact CD2-CD2 4.03Å; M378-L416 HydrophobicContact CB-CD2 4.01Å; M378-L416 HydrophobicContact CE-CD2 4.03Å; M378-L416 HydrophobicContact CG-CD2 4.37Å; M378-L416 HydrophobicContact SD-CD2 3.53Å; M378-L416 VanDerWaalsContact SD-CD2 3.53Å; V400-L416 HydrophobicContact CG1-CD1 3.66Å; I402-L416 HydrophobicContact CD1-CD1 4.45Å; I402-L416 HydrophobicContact CG1-CD1 3.79Å; L416-L418 HydrophobicContact CD1-CD2 3.95Å; L416-L418 HydrophobicContact CD2-CD1 4.4Å; L416-L418 HydrophobicContact CD2-CD2 4.06Å; L416-L418 HydrophobicContact CD2-CG 4.29Å; L416-L418 HydrophobicContact CG-CD2 3.86Å; L416-L418 HydrophobicContact CG-CG 4.07Å
417	Y	97	Very high	81.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.4	174.5	-60.2	-99	0	0	0	108.6	T110 I362 L363 V400 H401 E403 Y405 F421 F424	T110-Y417 HydrophobicContact CG2-CD1 4.48Å; T110-Y417 HydrophobicContact CG2-CE1 3.58Å; I362-Y417 CarbonylContact O-C 3.59Å; I362-Y417 WeakPolarHBondContact O-CA 3.31Å; L363-Y417 HydrophobicContact CB-CD1 4.21Å; L363-Y417 HydrophobicContact CB-CE1 4.34Å; L363-Y417 HydrophobicContact CD1-CD1 3.71Å; L363-Y417 HydrophobicContact CD1-CD2 3.95Å; L363-Y417 HydrophobicContact CD1-CE1 3.55Å; L363-Y417 HydrophobicContact CD1-CE2 3.8Å; L363-Y417 HydrophobicContact CD1-CG 3.92Å; L363-Y417 HydrophobicContact CD2-CD1 4.46Å; L363-Y417 HydrophobicContact CD2-CE1 3.77Å; L363-Y417 HydrophobicContact CG-CD1 4.32Å; L363-Y417 HydrophobicContact CG-CE1 4.07Å; V400-Y417 WeakPolarHBondContact CA-O 3.3Å; H401-Y417 PolarHBondContact N-O 3.4Å; H401-Y417 AromaticContact ND1-CD2 3.61Å; H401-Y417 PolarHBondContact O-N 3.06Å; E403-Y417 HydrophobicContact CB-CD2 4.48Å; E403-Y417 HydrophobicContact CB-CE2 3.77Å; E403-Y417 VanDerWaalsContact OE2-CE2 3.25Å; E403-Y417 WeakPolarHBondContact OE2-CE2 3.39Å; E403-Y417 PolarHBondContact OE2-OH 3.48Å; Y405-Y417 PolarHBondContact OH-OH 3.48Å; Y417-F421 HydrophobicContact CD1-CD1 4.06Å; Y417-F421 HydrophobicContact CD1-CD2 4.21Å; Y417-F421 AromaticContact CD1-CE1 3.82Å; Y417-F421 HydrophobicContact CD1-CE1 3.82Å; Y417-F421 AromaticContact CD1-CE2 3.99Å; Y417-F421 HydrophobicContact CD1-CE2 3.99Å; Y417-F421 HydrophobicContact CD1-CG 4.25Å; Y417-F421 AromaticContact CD1-CZ 3.79Å; Y417-F421 HydrophobicContact CD1-CZ 3.79Å; Y417-F421 HydrophobicContact CE1-CE1 4.41Å; Y417-F421 HydrophobicContact CG-CE2 4.41Å; Y417-F424 AromaticContact CD1-CE2 3.53Å; Y417-F424 HydrophobicContact CD1-CE2 3.53Å; Y417-F424 HydrophobicContact CD1-CZ 4.12Å; Y417-F424 AromaticContact CD2-CE2 3.93Å; Y417-F424 HydrophobicContact CD2-CE2 3.93Å; Y417-F424 HydrophobicContact CD2-CZ 4.2Å; Y417-F424 AromaticContact CE1-CE2 3.81Å; Y417-F424 HydrophobicContact CE1-CE2 3.81Å; Y417-F424 AromaticContact CE1-CZ 3.93Å; Y417-F424 HydrophobicContact CE1-CZ 3.93Å; Y417-F424 HydrophobicContact CE2-CE2 4.18Å; Y417-F424 HydrophobicContact CE2-CZ 4.01Å; Y417-F424 HydrophobicContact CG-CD2 4.47Å; Y417-F424 AromaticContact CG-CE2 3.58Å; Y417-F424 HydrophobicContact CG-CE2 3.58Å; Y417-F424 HydrophobicContact CG-CZ 4.24Å; Y417-F424 AromaticContact CZ-CZ 3.86Å
418	L	95	Very high	78.9	Confident	0 Å²	0	57 Å²	57	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.6	177.2	-58.2	178.6	0	0	0	109.6	L352 K361 I362 I364 M378 L398 N399 V400 L416 F421	L352-L418 HydrophobicContact CD1-CD1 3.78Å; L352-L418 HydrophobicContact CD2-CD1 4.3Å; K361-L418 WeakPolarHBondContact CA-O 3.43Å; I362-L418 HydrophobicContact CB-CB 4.32Å; I362-L418 PolarHBondContact N-O 3.49Å; I362-L418 PolarHBondContact O-N 2.89Å; I364-L418 HydrophobicContact CD1-CD1 4.03Å; M378-L418 HydrophobicContact CB-CD1 4.39Å; L398-L418 HydrophobicContact CB-CB 4.28Å; L398-L418 HydrophobicContact CD1-CB 3.93Å; N399-L418 CarbonylContact O-C 3.54Å; N399-L418 VanDerWaalsContact O-CA 3.3Å; N399-L418 WeakPolarHBondContact O-CA 3.23Å; V400-L418 HydrophobicContact CG2-CD2 3.89Å; L416-L418 HydrophobicContact CD1-CD2 3.95Å; L416-L418 HydrophobicContact CD2-CD1 4.4Å; L416-L418 HydrophobicContact CD2-CD2 4.06Å; L416-L418 HydrophobicContact CD2-CG 4.29Å; L416-L418 HydrophobicContact CG-CD2 3.86Å; L416-L418 HydrophobicContact CG-CG 4.07Å; L418-F421 WeakPolarHBondContact O-CE2 3.5Å
419	G	92.2	Very high	76.3	Confident	11 Å²	11	58.7 Å²	58.7	11%	0.113	32%	0.32	C	S	.	.	S	Bend	trans	97.6	-178.1	-175.9	0	0	0	0	0	113.4	N360 N399 F421	N360-G419 WeakPolarHBondContact O-CA 3.39Å; N399-G419 PolarHBondContact O-N 2.99Å; G419-F421 PolarHBondContact O-N 3.18Å
420	S	85.6	Confident	73.8	Confident	58 Å²	58	64 Å²	64	41%	0.406	34%	0.339	S	S	.	.			trans	-86.2	108.5	-176.5	-60.5	0	0	0	0	111.3	K361 N399	K361-S420 WeakPolarHBondContact CD-O 3.39Å; N399-S420 PolarHBondContact ND2-OG 3.43Å; N399-S420 VanDerWaalsContact ND2-OG 3.12Å
421	F	87.3	Confident	73.2	Confident	5 Å²	5	60.8 Å²	60.8	2%	0.022	33%	0.332	C	S	.	.			trans	-100.7	124.3	169.9	-72.4	-104.6	0	0	0	108.6	I297 K361 Y417 L418 G419 C423 F424	I297-F421 HydrophobicContact CD1-CD1 4.45Å; I297-F421 HydrophobicContact CD1-CE1 3.93Å; I297-F421 HydrophobicContact CG1-CE1 4.36Å; I297-F421 HydrophobicContact CG2-CE1 4.42Å; K361-F421 HydrophobicContact CB-CE1 4.3Å; K361-F421 HydrophobicContact CB-CE2 3.97Å; K361-F421 HydrophobicContact CB-CZ 3.81Å; Y417-F421 HydrophobicContact CD1-CD1 4.06Å; Y417-F421 HydrophobicContact CD1-CD2 4.21Å; Y417-F421 AromaticContact CD1-CE1 3.82Å; Y417-F421 HydrophobicContact CD1-CE1 3.82Å; Y417-F421 AromaticContact CD1-CE2 3.99Å; Y417-F421 HydrophobicContact CD1-CE2 3.99Å; Y417-F421 HydrophobicContact CD1-CG 4.25Å; Y417-F421 AromaticContact CD1-CZ 3.79Å; Y417-F421 HydrophobicContact CD1-CZ 3.79Å; Y417-F421 HydrophobicContact CE1-CE1 4.41Å; Y417-F421 HydrophobicContact CG-CE2 4.41Å; L418-F421 WeakPolarHBondContact O-CE2 3.5Å; G419-F421 PolarHBondContact O-N 3.18Å; F421-C423 PolarHBondContact O-N 3.24Å; F421-C423 VanDerWaalsContact O-N 3.13Å; F421-F424 HydrophobicContact CB-CD2 3.52Å; F421-F424 HydrophobicContact CB-CE2 3.86Å; F421-F424 HydrophobicContact CB-CG 4.4Å; F421-F424 HydrophobicContact CG-CD2 4.18Å; F421-F424 HydrophobicContact CG-CE2 4.14Å; F421-F424 PolarHBondContact O-N 3.4Å
422	P	70.1	Confident	72.4	Confident	93 Å²	93	60.7 Å²	60.7	60%	0.604	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-56.9	-34.5	-172.6	-24.7	31.9	0	0	0	114	F424 E425	P422-F424 PolarHBondContact O-N 2.93Å; P422-E425 PolarHBondContact O-N 3.46Å
423	C	68.2	Low	71.4	Confident	65 Å²	65	62.2 Å²	62.2	44%	0.439	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-67.6	-13.2	179.9	54.5	0	0	0	0	114.3	F421	F421-C423 PolarHBondContact O-N 3.24Å; F421-C423 VanDerWaalsContact O-N 3.13Å
424	F	67.5	Low	70.1	Confident	49 Å²	49	65.8 Å²	65.8	22%	0.215	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-108.6	3.2	179.4	-53.3	-42.9	0	0	0	113.3	T110 H401 Y417 F421 P422 E426	T110-F424 HydrophobicContact CG2-CE1 4.42Å; T110-F424 HydrophobicContact CG2-CE2 4.08Å; T110-F424 HydrophobicContact CG2-CZ 3.59Å; H401-F424 HydrophobicContact CB-CD2 3.9Å; H401-F424 HydrophobicContact CB-CE2 4.38Å; H401-F424 HydrophobicContact CB-CG 4.32Å; H401-F424 AromaticContact CD2-CG 3.95Å; H401-F424 AromaticContact CE1-CD1 3.74Å; H401-F424 AromaticContact CE1-CE1 3.49Å; H401-F424 VanDerWaalsContact CE1-CE1 3.49Å; H401-F424 WeakPolarHBondContact CE1-CE1 3.38Å; H401-F424 AromaticContact CE1-CZ 3.74Å; H401-F424 AromaticContact CG-CD2 3.72Å; H401-F424 AromaticContact CG-CG 3.84Å; H401-F424 AromaticContact ND1-CD1 3.97Å; H401-F424 AromaticContact ND1-CD2 3.75Å; H401-F424 AromaticContact ND1-CE1 3.76Å; H401-F424 AromaticContact ND1-CE2 3.58Å; H401-F424 AromaticContact ND1-CG 3.98Å; H401-F424 AromaticContact ND1-CZ 3.57Å; H401-F424 AromaticContact NE2-CD1 3.81Å; Y417-F424 AromaticContact CD1-CE2 3.53Å; Y417-F424 HydrophobicContact CD1-CE2 3.53Å; Y417-F424 HydrophobicContact CD1-CZ 4.12Å; Y417-F424 AromaticContact CD2-CE2 3.93Å; Y417-F424 HydrophobicContact CD2-CE2 3.93Å; Y417-F424 HydrophobicContact CD2-CZ 4.2Å; Y417-F424 AromaticContact CE1-CE2 3.81Å; Y417-F424 HydrophobicContact CE1-CE2 3.81Å; Y417-F424 AromaticContact CE1-CZ 3.93Å; Y417-F424 HydrophobicContact CE1-CZ 3.93Å; Y417-F424 HydrophobicContact CE2-CE2 4.18Å; Y417-F424 HydrophobicContact CE2-CZ 4.01Å; Y417-F424 HydrophobicContact CG-CD2 4.47Å; Y417-F424 AromaticContact CG-CE2 3.58Å; Y417-F424 HydrophobicContact CG-CE2 3.58Å; Y417-F424 HydrophobicContact CG-CZ 4.24Å; Y417-F424 AromaticContact CZ-CZ 3.86Å; F421-F424 HydrophobicContact CB-CD2 3.52Å; F421-F424 HydrophobicContact CB-CE2 3.86Å; F421-F424 HydrophobicContact CB-CG 4.4Å; F421-F424 HydrophobicContact CG-CD2 4.18Å; F421-F424 HydrophobicContact CG-CE2 4.14Å; F421-F424 PolarHBondContact O-N 3.4Å; P422-F424 PolarHBondContact O-N 2.93Å; F424-E426 CarbonylContact O-C 3.53Å; F424-E426 PolarHBondContact O-N 2.9Å
425	E	51.5	Low	68.6	Low	129 Å²	129	69.1 Å²	69.1	60%	0.603	38%	0.381	S	S	*	.			trans	-69.6	9.8	-178.5	-73	-173	173.6	0	0	114.7	P422 N427	P422-E425 PolarHBondContact O-N 3.46Å; E425-N427 PolarHBondContact O-N 2.96Å
426	E	49.1	Very low	66.8	Low	133 Å²	133	73.7 Å²	73.7	62%	0.621	41%	0.407	S	S	*	.	S	Bend	trans	-72.3	73.7	153	-74.3	-178.9	-132	0	0	109.4	R7 F424 I428	R7-E426 IonicContact CZ-OE1 3.56Å; R7-E426 VanDerWaalsContact CZ-OE1 3.32Å; R7-E426 IonicContact CZ-OE2 2.74Å; R7-E426 IonicContact NH1-OE1 2.75Å; R7-E426 PolarHBondContact NH1-OE1 3.12Å; R7-E426 IonicContact NH1-OE2 2.62Å; R7-E426 IonicContact NH2-OE1 3.36Å; R7-E426 PolarHBondContact NH2-OE1 3.27Å; R7-E426 IonicContact NH2-OE2 3.5Å; R7-E426 PolarHBondContact NH2-OE2 3.1Å; F424-E426 CarbonylContact O-C 3.53Å; F424-E426 PolarHBondContact O-N 2.9Å; E426-I428 PolarHBondContact O-N 3.13Å
427	N	38.4	Very low	64.6	Low	130 Å²	130	79 Å²	79	70%	0.695	44%	0.436	S	S	*	.			trans	-0.6	92.5	163.9	-74.8	-40.3	0	0	0	115.2	E425 I429	E425-N427 PolarHBondContact O-N 2.96Å; N427-I429 HydrophobicContact CB-CD1 4.12Å; N427-I429 HydrophobicContact CB-CG1 4.06Å; N427-I429 PolarHBondContact O-N 2.97Å
428	I	37.6	Very low	62.1	Low	123 Å²	123	85.1 Å²	85.1	63%	0.631	47%	0.469	S	S	*	.			trans	-78	79.9	152.3	-54.6	178.3	0	0	0	106.1	E426 V430	E426-I428 PolarHBondContact O-N 3.13Å; I428-V430 PolarHBondContact O-N 3.5Å
429	I	32.1	Very low	59.4	Low	138 Å²	138	92.2 Å²	92.2	71%	0.708	51%	0.508	S	S	*	.			trans	-72.1	114.6	162.4	-65.3	160.6	0	0	0	105.5	N427	N427-I429 HydrophobicContact CB-CD1 4.12Å; N427-I429 HydrophobicContact CB-CG1 4.06Å; N427-I429 PolarHBondContact O-N 2.97Å
430	V	33.1	Very low	56.4	Low	172 Å²	172	99.5 Å²	99.5	100%	1.042	54%	0.544	S	S	*	.			trans	-67.5	0	178.4	178.3	0	0	0	0	111.3	I428	I428-V430 PolarHBondContact O-N 3.5Å

Retrieved 430 of 430 residues in 565.7 ms (Link to these results)

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