A0A3Q0KV97_SCHMA Loading...

tRNA (guanine(9)-N(1))-methyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KV97, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 373 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	32.3	Very low	36.9	Very low	230 Å²	230	164.1 Å²	164.1	100%	1.133	85%	0.846	S	S	*	*				0	122	0	-76.3	176.1	172.9	0	0	106.8
2	N	37.6	Very low	36.9	Very low	157 Å²	157	166.2 Å²	166.2	84%	0.84	85%	0.849	S	S	*	*			trans	-178.8	75.6	159.7	-89.6	-5	0	0	0	106.1
3	T	36.5	Very low	36.6	Very low	139 Å²	139	163.5 Å²	163.5	85%	0.853	85%	0.846	S	S	*	*			trans	-95.4	94.3	166.2	32.5	0	0	0	0	106.2
4	E	42.9	Very low	36.8	Very low	174 Å²	174	162.4 Å²	162.4	81%	0.813	84%	0.84	S	S	*	*			trans	-81	118.8	173	-75.7	-178.3	167.6	0	0	109.5	L6	E4-L6 PolarHBondContact O-N 3.05Å
5	H	36.4	Very low	36.7	Very low	164 Å²	164	159.1 Å²	159.1	76%	0.759	83%	0.832	S	S	*	*			trans	-55	123.3	171.3	-96.9	-87.7	0	0	0	111.1	D7	H5-D7 IonicContact CE1-OD2 2.72Å; H5-D7 PolarHBondContact CE1-OD2 2.99Å; H5-D7 IonicContact CG-OD2 3.03Å; H5-D7 IonicContact ND1-OD2 2.89Å; H5-D7 PolarHBondContact ND1-OD2 3.35Å
6	L	40.9	Very low	36.7	Very low	178 Å²	178	158.6 Å²	158.6	93%	0.932	83%	0.829	S	S	*	*			trans	-102.3	80.6	159	-91.3	135.4	0	0	0	107.2	E4	E4-L6 PolarHBondContact O-N 3.05Å
7	D	34.5	Very low	36.8	Very low	114 Å²	114	156.8 Å²	156.8	61%	0.61	83%	0.827	S	S	*	*			trans	-101.7	148.5	164.5	-81.6	-45.1	0	0	0	109.6	H5	H5-D7 IonicContact CE1-OD2 2.72Å; H5-D7 PolarHBondContact CE1-OD2 2.99Å; H5-D7 IonicContact CG-OD2 3.03Å; H5-D7 IonicContact ND1-OD2 2.89Å; H5-D7 PolarHBondContact ND1-OD2 3.35Å
8	N	38.2	Very low	37	Very low	146 Å²	146	156.6 Å²	156.6	78%	0.781	83%	0.826	S	S	*	*			trans	86.2	80.9	171.7	-55.8	-13.3	0	0	0	117.3
9	M	37.2	Very low	37.2	Very low	186 Å²	186	158.3 Å²	158.3	92%	0.916	83%	0.829	S	S	*	*			trans	-110.9	104.7	141.8	-70.8	-123.5	92.4	0	0	107.7	T11	M9-T11 PolarHBondContact O-N 2.79Å
10	E	34.2	Very low	37.6	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.874	83%	0.826	S	S	*	*			trans	-60	125.7	176.1	-71.8	172.4	153.3	0	0	110.5	E12	E10-E12 PolarHBondContact O-N 3.23Å
11	T	35.6	Very low	37.8	Very low	130 Å²	130	153.6 Å²	153.6	80%	0.798	81%	0.813	S	S	*	*			trans	-83.5	103.4	172.5	49	0	0	0	0	109.3	M9 T13	M9-T11 PolarHBondContact O-N 2.79Å; T11-T13 PolarHBondContact O-N 3.35Å
12	E	36.6	Very low	38.4	Very low	189 Å²	189	150.9 Å²	150.9	88%	0.883	80%	0.803	S	S	*	*			trans	-62.7	114.5	166.9	-77.8	-178.4	154.8	0	0	110	E10 I14	E10-E12 PolarHBondContact O-N 3.23Å; E12-I14 PolarHBondContact O-N 3.09Å
13	T	33.1	Very low	38.9	Very low	132 Å²	132	150.3 Å²	150.3	81%	0.81	80%	0.799	S	S	*	*			trans	-76.6	111.2	174.8	43.5	0	0	0	0	110.4	T11	T11-T13 PolarHBondContact O-N 3.35Å
14	I	39.3	Very low	40	Very low	148 Å²	148	150.9 Å²	150.9	76%	0.759	79%	0.789	S	S	*	*			trans	-79.3	135.6	171.2	-59.4	172.4	0	0	0	109.1	E12	E12-I14 PolarHBondContact O-N 3.09Å
15	P	35.4	Very low	40.8	Very low	112 Å²	112	153.3 Å²	153.3	73%	0.727	79%	0.791	S	S	*	*			trans	-70.4	131.3	-174.1	-12.1	27.3	0	0	0	112.3	T17	P15-T17 PolarHBondContact O-N 2.94Å
16	I	37.2	Very low	41.8	Very low	152 Å²	152	151 Å²	151	78%	0.779	79%	0.79	S	S	*	*			trans	-82.2	107.5	177.9	-58.9	167.9	0	0	0	108.3
17	T	38.3	Very low	43.6	Very low	128 Å²	128	145.7 Å²	145.7	79%	0.785	76%	0.763	S	S	*	*			trans	-85.4	128.9	165.3	47.7	0	0	0	0	109.8	P15 E19	P15-T17 PolarHBondContact O-N 2.94Å; T17-E19 PolarHBondContact O-N 3.17Å
18	N	39.2	Very low	45.9	Very low	152 Å²	152	149.8 Å²	149.8	81%	0.813	77%	0.77	S	S	*	*			trans	-73.8	85.7	-173.3	-70.8	-31.5	0	0	0	112.1
19	E	42.1	Very low	48.1	Very low	189 Å²	189	151.3 Å²	151.3	88%	0.883	77%	0.77	S	S	*	*			trans	-127.3	60.8	160.2	-75.4	-166.3	163.3	0	0	110.3	T17	T17-E19 PolarHBondContact O-N 3.17Å
20	E	44.6	Very low	50.6	Low	164 Å²	164	146.7 Å²	146.7	77%	0.766	75%	0.748	S	S	*	*			trans	-98.1	76.8	174.1	-87.8	-146.8	-165.3	0	0	111.9	K24	E20-K24 IonicContact OE2-NZ 3.61Å; E20-K24 PolarHBondContact OE2-NZ 3.21Å
21	G	40.8	Very low	53.3	Low	55 Å²	55	141.9 Å²	141.9	57%	0.567	73%	0.728	S	S	*	*			trans	-150.9	121.6	169.2	0	0	0	0	0	111.9
22	L	45.6	Very low	56	Low	173 Å²	173	139.7 Å²	139.7	91%	0.906	71%	0.708	S	S	*	*	S	Bend	trans	107.9	-3.6	159.1	-62.6	128.9	0	0	0	122.2
23	L	49.1	Very low	58.6	Low	145 Å²	145	136.7 Å²	136.7	76%	0.759	69%	0.69	S	S	*	*			trans	-108.6	44.3	176.5	-68.3	172.1	0	0	0	115.4
24	K	59.9	Low	61.5	Low	151 Å²	151	134.6 Å²	134.6	66%	0.657	67%	0.673	S	S	*	*			trans	-99.1	4.2	-163	-69.2	-171.2	175.4	-179.3	0	119.2	E20	E20-K24 IonicContact OE2-NZ 3.61Å; E20-K24 PolarHBondContact OE2-NZ 3.21Å
25	R	59.7	Low	64.2	Low	224 Å²	224	134.4 Å²	134.4	85%	0.845	67%	0.667	S	S	*	*	S	Bend	trans	-128.2	-52.5	-176.8	-70.5	-177.1	177.1	174	-0.7	119	N27	R25-N27 PolarHBondContact O-N 2.9Å
26	P	55.9	Low	67.1	Low	115 Å²	115	135.6 Å²	135.6	75%	0.747	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-27.9	-176.4	-17.8	31	0	0	0	113.9	R28	P26-R28 PolarHBondContact O-N 3.18Å
27	N	79.6	Confident	69.8	Low	67 Å²	67	132.3 Å²	132.3	36%	0.358	64%	0.637	S	S	.	*	H	α-helix	trans	-76	-16.4	-175.4	-91.8	-35.9	0	0	0	114.7	R25 K29 L30 I31	R25-N27 PolarHBondContact O-N 2.9Å; N27-K29 VanDerWaalsContact C-N 3.31Å; N27-K29 PolarHBondContact O-N 2.66Å; N27-L30 PolarHBondContact O-N 2.86Å; N27-I31 HydrophobicContact CB-CD1 4.08Å; N27-I31 WeakPolarHBondContact O-CB 3.32Å; N27-I31 VanDerWaalsContact O-CG1 3.23Å; N27-I31 WeakPolarHBondContact O-CG1 3.22Å; N27-I31 PolarHBondContact O-N 3.26Å
28	R	82.6	Confident	72.5	Confident	201 Å²	201	131.9 Å²	131.9	76%	0.758	63%	0.626	S	S	*	*	H	α-helix	trans	-60.8	-39.5	-177.8	-172.3	178	176	-172.2	0.1	112.2	P26 Q32	P26-R28 PolarHBondContact O-N 3.18Å; R28-Q32 VanDerWaalsContact O-CB 3.27Å; R28-Q32 WeakPolarHBondContact O-CB 3.26Å; R28-Q32 PolarHBondContact O-N 3.1Å
29	K	84.7	Confident	75.2	Confident	177 Å²	177	127.1 Å²	127.1	77%	0.77	61%	0.608	S	S	*	*	H	α-helix	trans	-67.1	-43	177.6	-72.6	-175.5	-179.7	176	0	111.6	N27 Q32 Y33	N27-K29 VanDerWaalsContact C-N 3.31Å; N27-K29 PolarHBondContact O-N 2.66Å; K29-Q32 PolarHBondContact O-N 3.46Å; K29-Y33 WeakPolarHBondContact O-CB 3.38Å; K29-Y33 PolarHBondContact O-N 3.33Å
30	L	89.2	Confident	77.8	Confident	89 Å²	89	125.4 Å²	125.4	47%	0.466	59%	0.593	S	S	.	*	H	α-helix	trans	-65.4	-47.6	178	179.7	59.5	0	0	0	111.2	N27 Q32 Y33 L34	N27-L30 PolarHBondContact O-N 2.86Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 3.14Å; L30-Y33 HydrophobicContact CD1-CD1 4.33Å; L30-Y33 WeakPolarHBondContact O-CB 3.31Å; L30-Y33 PolarHBondContact O-N 2.86Å; L30-Y33 VanDerWaalsContact O-N 3.15Å; L30-L34 HydrophobicContact CD1-CD1 4.41Å; L30-L34 HydrophobicContact CD1-CG 4.34Å; L30-L34 HydrophobicContact CG-CD1 4.23Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.12Å
31	I	90.6	Very high	80.2	Confident	86 Å²	86	124.1 Å²	124.1	44%	0.441	58%	0.581	S	S	.	*	H	α-helix	trans	-58.1	-45.1	175.6	-67	165.4	0	0	0	110.4	N27 Y33 L34 K35	N27-I31 HydrophobicContact CB-CD1 4.08Å; N27-I31 WeakPolarHBondContact O-CB 3.32Å; N27-I31 VanDerWaalsContact O-CG1 3.23Å; N27-I31 WeakPolarHBondContact O-CG1 3.22Å; N27-I31 PolarHBondContact O-N 3.26Å; I31-Y33 PolarHBondContact O-N 3.38Å; I31-L34 PolarHBondContact O-N 2.85Å; I31-K35 HydrophobicContact CG2-CD 4.37Å; I31-K35 WeakPolarHBondContact O-CG 3.28Å; I31-K35 PolarHBondContact O-N 3.04Å
32	Q	92.2	Very high	82.8	Confident	85 Å²	85	125.5 Å²	125.5	40%	0.397	57%	0.573	S	S	.	*	H	α-helix	trans	-64.7	-38.7	177.4	-169.7	179.7	49.8	0	0	112.3	R28 K29 L30 R36	R28-Q32 VanDerWaalsContact O-CB 3.27Å; R28-Q32 WeakPolarHBondContact O-CB 3.26Å; R28-Q32 PolarHBondContact O-N 3.1Å; K29-Q32 PolarHBondContact O-N 3.46Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 3.14Å; Q32-R36 WeakPolarHBondContact O-CB 3.28Å; Q32-R36 WeakPolarHBondContact O-CG 3.5Å; Q32-R36 PolarHBondContact O-N 3.4Å
33	Y	91.5	Very high	85.2	Confident	125 Å²	125	122.8 Å²	122.8	49%	0.49	56%	0.558	S	S	.	*	H	α-helix	trans	-62.3	-45.3	173.4	167	-102.3	0	0	0	111.8	K29 L30 I31 R36 K37	K29-Y33 WeakPolarHBondContact O-CB 3.38Å; K29-Y33 PolarHBondContact O-N 3.33Å; L30-Y33 HydrophobicContact CD1-CD1 4.33Å; L30-Y33 WeakPolarHBondContact O-CB 3.31Å; L30-Y33 PolarHBondContact O-N 2.86Å; L30-Y33 VanDerWaalsContact O-N 3.15Å; I31-Y33 PolarHBondContact O-N 3.38Å; Y33-R36 PolarHBondContact O-N 3.49Å; Y33-K37 HydrophobicContact CE1-CD 4.22Å; Y33-K37 WeakPolarHBondContact O-CB 3.33Å; Y33-K37 PolarHBondContact O-N 3.02Å
34	L	94.1	Very high	87.3	Confident	88 Å²	88	123.9 Å²	123.9	46%	0.461	55%	0.552	S	S	.	*	H	α-helix	trans	-62.9	-46.5	177.8	-68	174.1	0	0	0	111.5	L30 I31 R36 K37 E38	L30-L34 HydrophobicContact CD1-CD1 4.41Å; L30-L34 HydrophobicContact CD1-CG 4.34Å; L30-L34 HydrophobicContact CG-CD1 4.23Å; L30-L34 WeakPolarHBondContact O-CG 3.29Å; L30-L34 PolarHBondContact O-N 3.12Å; I31-L34 PolarHBondContact O-N 2.85Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 2.84Å; L34-K37 WeakPolarHBondContact O-CB 3.35Å; L34-K37 PolarHBondContact O-N 2.89Å; L34-K37 VanDerWaalsContact O-N 3.1Å; L34-E38 PolarHBondContact O-N 3.29Å
35	K	96.1	Very high	89	Confident	145 Å²	145	122.2 Å²	122.2	63%	0.63	55%	0.545	S	S	*	.	H	α-helix	trans	-56.4	-44.9	173.4	-73.2	-175	178.6	-169.5	0	112.2	I31 E38 A39	I31-K35 HydrophobicContact CG2-CD 4.37Å; I31-K35 WeakPolarHBondContact O-CG 3.28Å; I31-K35 PolarHBondContact O-N 3.04Å; K35-E38 PolarHBondContact O-N 2.82Å; K35-A39 WeakPolarHBondContact O-CB 3.43Å; K35-A39 PolarHBondContact O-N 2.76Å
36	R	95.6	Very high	90.8	Very high	136 Å²	136	116.3 Å²	116.3	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-65.7	-37.4	175.8	-75.1	173.6	176.9	154.5	-0.5	112.5	Q32 Y33 L34 R40	Q32-R36 WeakPolarHBondContact O-CB 3.28Å; Q32-R36 WeakPolarHBondContact O-CG 3.5Å; Q32-R36 PolarHBondContact O-N 3.4Å; Y33-R36 PolarHBondContact O-N 3.49Å; L34-R36 VanDerWaalsContact C-N 3.34Å; L34-R36 PolarHBondContact O-N 2.84Å; R36-R40 WeakPolarHBondContact O-CB 3.27Å; R36-R40 VanDerWaalsContact O-CG 3.24Å; R36-R40 WeakPolarHBondContact O-CG 3.22Å; R36-R40 PolarHBondContact O-N 3.39Å
37	K	94.5	Very high	92.6	Very high	83 Å²	83	118.1 Å²	118.1	36%	0.361	53%	0.527	S	S	.	.	H	α-helix	trans	-66	-41.1	178.1	-174.5	178.6	179.3	-178.9	0	110.9	Y33 L34 R41	Y33-K37 HydrophobicContact CE1-CD 4.22Å; Y33-K37 WeakPolarHBondContact O-CB 3.33Å; Y33-K37 PolarHBondContact O-N 3.02Å; L34-K37 WeakPolarHBondContact O-CB 3.35Å; L34-K37 PolarHBondContact O-N 2.89Å; L34-K37 VanDerWaalsContact O-N 3.1Å; K37-R41 WeakPolarHBondContact O-CG 3.27Å; K37-R41 PolarHBondContact O-N 2.95Å; K37-R41 VanDerWaalsContact O-N 3.17Å
38	E	95	Very high	93.4	Very high	119 Å²	119	121.6 Å²	121.6	56%	0.556	54%	0.539	S	S	*	.	H	α-helix	trans	-67.5	-49	175.2	-173.3	170.1	-150.5	0	0	112.2	L34 K35 R40 R41 E42	L34-E38 PolarHBondContact O-N 3.29Å; K35-E38 PolarHBondContact O-N 2.82Å; E38-R40 PolarHBondContact O-N 3.28Å; E38-R41 WeakPolarHBondContact O-CA 3.19Å; E38-R41 VanDerWaalsContact O-CB 3.32Å; E38-R41 WeakPolarHBondContact O-CB 3.34Å; E38-R41 PolarHBondContact O-N 3.43Å; E38-E42 PolarHBondContact O-N 3.04Å
39	A	96.8	Very high	94.1	Very high	52 Å²	52	116.6 Å²	116.6	43%	0.43	52%	0.524	S	S	.	.	H	α-helix	trans	-55.1	-40.3	174.4	0	0	0	0	0	112.3	K35 R41 E42 I43	K35-A39 WeakPolarHBondContact O-CB 3.43Å; K35-A39 PolarHBondContact O-N 2.76Å; A39-R41 VanDerWaalsContact C-N 3.33Å; A39-R41 PolarHBondContact O-N 2.89Å; A39-E42 PolarHBondContact O-N 3.07Å; A39-I43 WeakPolarHBondContact O-CB 3.46Å; A39-I43 VanDerWaalsContact O-CG1 3.25Å; A39-I43 WeakPolarHBondContact O-CG1 3.4Å; A39-I43 PolarHBondContact O-N 3.47Å
40	R	95.3	Very high	94.6	Very high	153 Å²	153	117.1 Å²	117.1	58%	0.577	52%	0.521	S	S	*	.	H	α-helix	trans	-65	-32.6	173.6	-74.7	171.6	-179	179	0.7	113.1	R36 E38 R44	R36-R40 WeakPolarHBondContact O-CB 3.27Å; R36-R40 VanDerWaalsContact O-CG 3.24Å; R36-R40 WeakPolarHBondContact O-CG 3.22Å; R36-R40 PolarHBondContact O-N 3.39Å; E38-R40 PolarHBondContact O-N 3.28Å; R40-R44 WeakPolarHBondContact O-CB 3.47Å; R40-R44 WeakPolarHBondContact O-CD 3.25Å; R40-R44 WeakPolarHBondContact O-CG 3.33Å; R40-R44 PolarHBondContact O-N 3.44Å
41	R	95.5	Very high	94.9	Very high	138 Å²	138	119.7 Å²	119.7	52%	0.521	52%	0.524	S	S	.	.	H	α-helix	trans	-69	-45.2	175	-73.8	172.2	174.9	171.2	-5.4	110.4	K37 E38 A39 R44 K45	K37-R41 WeakPolarHBondContact O-CG 3.27Å; K37-R41 PolarHBondContact O-N 2.95Å; K37-R41 VanDerWaalsContact O-N 3.17Å; E38-R41 WeakPolarHBondContact O-CA 3.19Å; E38-R41 VanDerWaalsContact O-CB 3.32Å; E38-R41 WeakPolarHBondContact O-CB 3.34Å; E38-R41 PolarHBondContact O-N 3.43Å; A39-R41 VanDerWaalsContact C-N 3.33Å; A39-R41 PolarHBondContact O-N 2.89Å; R41-R44 WeakPolarHBondContact O-CB 3.28Å; R41-R44 PolarHBondContact O-N 3.24Å; R41-K45 PolarHBondContact O-N 3.4Å
42	E	96.2	Very high	95.2	Very high	83 Å²	83	120.7 Å²	120.7	39%	0.388	53%	0.525	S	S	.	.	H	α-helix	trans	-65	-45.5	178.1	-65.6	-48.2	119.2	0	0	112.3	E38 A39 R44 K45 V46	E38-E42 PolarHBondContact O-N 3.04Å; A39-E42 PolarHBondContact O-N 3.07Å; E42-R44 PolarHBondContact O-N 3.04Å; E42-K45 WeakPolarHBondContact O-CB 3.24Å; E42-K45 PolarHBondContact O-N 2.82Å; E42-K45 WeakPolarHBondContact OE1-CE 3.24Å; E42-K45 IonicContact OE1-NZ 3.76Å; E42-K45 PolarHBondContact OE1-NZ 3.37Å; E42-K45 IonicContact OE2-NZ 2.96Å; E42-V46 WeakPolarHBondContact O-CG2 3.45Å; E42-V46 PolarHBondContact O-N 3.25Å
43	I	94.9	Very high	95.3	Very high	117 Å²	117	120.8 Å²	120.8	60%	0.6	53%	0.528	S	S	*	.	H	α-helix	trans	-56	-39.7	173.5	-69.2	166.1	0	0	0	111.3	A39 Y47	A39-I43 WeakPolarHBondContact O-CB 3.46Å; A39-I43 VanDerWaalsContact O-CG1 3.25Å; A39-I43 WeakPolarHBondContact O-CG1 3.4Å; A39-I43 PolarHBondContact O-N 3.47Å; I43-Y47 WeakPolarHBondContact O-CB 3.35Å; I43-Y47 PolarHBondContact O-N 3.17Å
44	R	93.1	Very high	95.5	Very high	167 Å²	167	121.2 Å²	121.2	63%	0.63	53%	0.529	S	S	*	.	H	α-helix	trans	-68.2	-37.3	176.7	-74.7	168.3	-176.3	174.2	-0.4	112.6	R40 R41 E42 K48	R40-R44 WeakPolarHBondContact O-CB 3.47Å; R40-R44 WeakPolarHBondContact O-CD 3.25Å; R40-R44 WeakPolarHBondContact O-CG 3.33Å; R40-R44 PolarHBondContact O-N 3.44Å; R41-R44 WeakPolarHBondContact O-CB 3.28Å; R41-R44 PolarHBondContact O-N 3.24Å; E42-R44 PolarHBondContact O-N 3.04Å; R44-K48 WeakPolarHBondContact O-CG 3.47Å; R44-K48 PolarHBondContact O-N 3.26Å
45	K	97.2	Very high	95.5	Very high	117 Å²	117	120.7 Å²	120.7	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-50.6	174.7	-71.9	176.4	-177.1	167.9	0	110.4	R41 E42 Y47 K48 E49	R41-K45 PolarHBondContact O-N 3.4Å; E42-K45 WeakPolarHBondContact O-CB 3.24Å; E42-K45 PolarHBondContact O-N 2.82Å; E42-K45 WeakPolarHBondContact OE1-CE 3.24Å; E42-K45 IonicContact OE1-NZ 3.76Å; E42-K45 PolarHBondContact OE1-NZ 3.37Å; E42-K45 IonicContact OE2-NZ 2.96Å; K45-Y47 VanDerWaalsContact C-N 3.34Å; K45-Y47 PolarHBondContact O-N 3.11Å; K45-K48 WeakPolarHBondContact O-CB 3.39Å; K45-K48 PolarHBondContact O-N 2.78Å; K45-K48 VanDerWaalsContact O-N 3.12Å; K45-E49 PolarHBondContact O-N 3.31Å
46	V	96.6	Very high	95.4	Very high	99 Å²	99	119.3 Å²	119.3	60%	0.6	52%	0.52	S	S	*	.	H	α-helix	trans	-57.9	-44.2	177.3	174.8	0	0	0	0	111.5	E42 K48 E49 R50	E42-V46 WeakPolarHBondContact O-CG2 3.45Å; E42-V46 PolarHBondContact O-N 3.25Å; V46-K48 PolarHBondContact O-N 3.41Å; V46-E49 PolarHBondContact O-N 2.65Å; V46-R50 WeakPolarHBondContact O-CB 3.45Å; V46-R50 PolarHBondContact O-N 2.9Å
47	Y	94.5	Very high	95.3	Very high	154 Å²	154	117.6 Å²	117.6	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-63.8	-38.8	177.2	-174.3	-98	0	0	0	112.9	I43 K45 R51	I43-Y47 WeakPolarHBondContact O-CB 3.35Å; I43-Y47 PolarHBondContact O-N 3.17Å; K45-Y47 VanDerWaalsContact C-N 3.34Å; K45-Y47 PolarHBondContact O-N 3.11Å; Y47-R51 VanDerWaalsContact O-CB 3.31Å; Y47-R51 WeakPolarHBondContact O-CB 3.28Å; Y47-R51 PolarHBondContact O-N 3.42Å
48	K	95.9	Very high	95.2	Very high	140 Å²	140	118 Å²	118	61%	0.609	52%	0.521	S	S	*	.	H	α-helix	trans	-64.2	-44.5	175.1	-77.7	178.8	179.2	-172.9	0	111.7	R44 K45 V46 R51 K52	R44-K48 WeakPolarHBondContact O-CG 3.47Å; R44-K48 PolarHBondContact O-N 3.26Å; K45-K48 WeakPolarHBondContact O-CB 3.39Å; K45-K48 PolarHBondContact O-N 2.78Å; K45-K48 VanDerWaalsContact O-N 3.12Å; V46-K48 PolarHBondContact O-N 3.41Å; K48-R51 PolarHBondContact O-N 2.86Å; K48-K52 PolarHBondContact O-N 2.99Å; K48-K52 VanDerWaalsContact O-N 3.13Å
49	E	96	Very high	95.1	Very high	95 Å²	95	118.8 Å²	118.8	44%	0.444	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-46.8	177.5	-69.4	-51.1	128.7	0	0	111.9	K45 V46 R51 K52 I53	K45-E49 PolarHBondContact O-N 3.31Å; V46-E49 PolarHBondContact O-N 2.65Å; E49-R51 PolarHBondContact O-N 2.88Å; E49-K52 WeakPolarHBondContact O-CB 3.32Å; E49-K52 PolarHBondContact O-N 3.4Å; E49-K52 IonicContact OE1-NZ 3.81Å; E49-K52 PolarHBondContact OE1-NZ 2.81Å; E49-K52 IonicContact OE2-NZ 3.62Å; E49-I53 PolarHBondContact O-N 3.29Å
50	R	96.7	Very high	94.8	Very high	189 Å²	189	121.5 Å²	121.5	71%	0.713	53%	0.526	S	S	*	.	H	α-helix	trans	-56.9	-37.7	174.6	-171.5	174.2	-178.1	-177.5	1	112.3	V46 R54	V46-R50 WeakPolarHBondContact O-CB 3.45Å; V46-R50 PolarHBondContact O-N 2.9Å; R50-R54 WeakPolarHBondContact O-CB 3.36Å; R50-R54 PolarHBondContact O-N 2.76Å
51	R	94.5	Very high	94.4	Very high	142 Å²	142	120 Å²	120	54%	0.536	53%	0.526	S	S	.	.	H	α-helix	trans	-66.8	-34.4	175.3	172.5	-178.5	141.6	107.3	3.7	112.5	Y47 K48 E49 Q55	Y47-R51 VanDerWaalsContact O-CB 3.31Å; Y47-R51 WeakPolarHBondContact O-CB 3.28Å; Y47-R51 PolarHBondContact O-N 3.42Å; K48-R51 PolarHBondContact O-N 2.86Å; E49-R51 PolarHBondContact O-N 2.88Å; R51-Q55 WeakPolarHBondContact O-CG 3.32Å; R51-Q55 PolarHBondContact O-N 3.45Å; R51-Q55 PolarHBondContact O-NE2 3.41Å
52	K	96.6	Very high	93.9	Very high	107 Å²	107	119.2 Å²	119.2	47%	0.465	53%	0.528	S	S	.	.	H	α-helix	trans	-69.8	-47.3	175	-69	173	-176.5	169.2	0	110.9	K48 E49 R54 Q55 Q56	K48-K52 PolarHBondContact O-N 2.99Å; K48-K52 VanDerWaalsContact O-N 3.13Å; E49-K52 WeakPolarHBondContact O-CB 3.32Å; E49-K52 PolarHBondContact O-N 3.4Å; E49-K52 IonicContact OE1-NZ 3.81Å; E49-K52 PolarHBondContact OE1-NZ 2.81Å; E49-K52 IonicContact OE2-NZ 3.62Å; K52-R54 PolarHBondContact O-N 2.96Å; K52-Q55 WeakPolarHBondContact O-CB 3.17Å; K52-Q55 PolarHBondContact O-N 2.66Å; K52-Q55 VanDerWaalsContact O-N 3.13Å; K52-Q56 PolarHBondContact O-N 3.07Å
53	I	95.9	Very high	93.3	Very high	87 Å²	87	121.9 Å²	121.9	45%	0.446	54%	0.54	S	S	.	.	H	α-helix	trans	-57.2	-48	177	-65.8	169	0	0	0	110.6	E49 Q55 Q56 Q57	E49-I53 PolarHBondContact O-N 3.29Å; I53-Q55 VanDerWaalsContact C-N 3.29Å; I53-Q55 PolarHBondContact O-N 3.44Å; I53-Q56 PolarHBondContact O-N 2.89Å; I53-Q56 VanDerWaalsContact O-N 3.11Å; I53-Q57 HydrophobicContact CG2-CG 4.38Å; I53-Q57 WeakPolarHBondContact O-CG 3.31Å; I53-Q57 PolarHBondContact O-N 3.2Å
54	R	95.6	Very high	92.6	Very high	134 Å²	134	122.7 Å²	122.7	51%	0.506	54%	0.542	S	S	.	.	H	α-helix	trans	-59.1	-38.9	177.8	-172	175.4	71.4	-171.6	3.6	112.7	R50 K52 Q58	R50-R54 WeakPolarHBondContact O-CB 3.36Å; R50-R54 PolarHBondContact O-N 2.76Å; K52-R54 PolarHBondContact O-N 2.96Å; R54-Q58 WeakPolarHBondContact O-CB 3.49Å; R54-Q58 VanDerWaalsContact O-CG 3.29Å; R54-Q58 WeakPolarHBondContact O-CG 3.13Å; R54-Q58 PolarHBondContact O-N 3.46Å
55	Q	93.9	Very high	91.7	Very high	78 Å²	78	117.6 Å²	117.6	36%	0.364	53%	0.532	S	S	.	.	H	α-helix	trans	-69.1	-36.6	176.7	-78.6	170.3	79.4	0	0	112.3	R51 K52 I53 K59	R51-Q55 WeakPolarHBondContact O-CG 3.32Å; R51-Q55 PolarHBondContact O-N 3.45Å; R51-Q55 PolarHBondContact O-NE2 3.41Å; K52-Q55 WeakPolarHBondContact O-CB 3.17Å; K52-Q55 PolarHBondContact O-N 2.66Å; K52-Q55 VanDerWaalsContact O-N 3.13Å; I53-Q55 VanDerWaalsContact C-N 3.29Å; I53-Q55 PolarHBondContact O-N 3.44Å; Q55-K59 WeakPolarHBondContact O-CG 3.47Å; Q55-K59 PolarHBondContact O-N 3.43Å
56	Q	94.1	Very high	90.4	Very high	116 Å²	116	115.3 Å²	115.3	54%	0.542	53%	0.53	S	S	.	.	H	α-helix	trans	-66.6	-45.6	174.8	-72.6	172.3	-7.9	0	0	111.3	K52 I53 Q58 K59 Q60	K52-Q56 PolarHBondContact O-N 3.07Å; I53-Q56 PolarHBondContact O-N 2.89Å; I53-Q56 VanDerWaalsContact O-N 3.11Å; Q56-Q58 VanDerWaalsContact C-N 3.35Å; Q56-Q58 PolarHBondContact O-N 3.17Å; Q56-K59 PolarHBondContact O-N 2.81Å; Q56-K59 VanDerWaalsContact O-N 3.16Å; Q56-Q60 WeakPolarHBondContact O-CG 3.22Å; Q56-Q60 PolarHBondContact O-N 3.01Å
57	Q	93.6	Very high	88.8	Confident	100 Å²	100	114.9 Å²	114.9	47%	0.467	53%	0.531	S	S	.	.	H	α-helix	trans	-59.1	-43.8	175	-71.6	172.9	-9.9	0	0	111.9	I53 K59 Q60 Q61	I53-Q57 HydrophobicContact CG2-CG 4.38Å; I53-Q57 WeakPolarHBondContact O-CG 3.31Å; I53-Q57 PolarHBondContact O-N 3.2Å; Q57-K59 VanDerWaalsContact C-N 3.33Å; Q57-K59 PolarHBondContact O-N 2.82Å; Q57-Q60 PolarHBondContact O-N 2.64Å; Q57-Q61 WeakPolarHBondContact O-CB 3.15Å; Q57-Q61 VanDerWaalsContact O-CG 3.32Å; Q57-Q61 WeakPolarHBondContact O-CG 3.18Å; Q57-Q61 PolarHBondContact O-N 2.89Å
58	Q	92.4	Very high	86.6	Confident	92 Å²	92	112 Å²	112	43%	0.43	53%	0.533	S	S	.	.	H	α-helix	trans	-63.6	-36.5	176	-76.6	175.9	-1.3	0	0	112.9	R54 Q56 Q62	R54-Q58 WeakPolarHBondContact O-CB 3.49Å; R54-Q58 VanDerWaalsContact O-CG 3.29Å; R54-Q58 WeakPolarHBondContact O-CG 3.13Å; R54-Q58 PolarHBondContact O-N 3.46Å; Q56-Q58 VanDerWaalsContact C-N 3.35Å; Q56-Q58 PolarHBondContact O-N 3.17Å; Q58-Q62 WeakPolarHBondContact O-CB 3.4Å; Q58-Q62 VanDerWaalsContact O-CG 3.31Å; Q58-Q62 WeakPolarHBondContact O-CG 3.49Å; Q58-Q62 PolarHBondContact O-N 2.86Å; Q58-Q62 PolarHBondContact O-NE2 3.04Å; Q58-Q62 VanDerWaalsContact O-NE2 3.13Å
59	K	92.5	Very high	84.4	Confident	134 Å²	134	112.1 Å²	112.1	58%	0.583	54%	0.539	S	S	*	.	H	α-helix	trans	-68	-42.2	174.4	-75	177.5	179.5	-171.5	0	111.8	Q55 Q56 Q57 Q62 Q63	Q55-K59 WeakPolarHBondContact O-CG 3.47Å; Q55-K59 PolarHBondContact O-N 3.43Å; Q56-K59 PolarHBondContact O-N 2.81Å; Q56-K59 VanDerWaalsContact O-N 3.16Å; Q57-K59 VanDerWaalsContact C-N 3.33Å; Q57-K59 PolarHBondContact O-N 2.82Å; K59-Q62 PolarHBondContact O-N 2.95Å; K59-Q63 VanDerWaalsContact O-CG 3.31Å; K59-Q63 WeakPolarHBondContact O-CG 3.23Å; K59-Q63 PolarHBondContact O-N 3.46Å
60	Q	90.6	Very high	81.8	Confident	109 Å²	109	113.1 Å²	113.1	51%	0.509	55%	0.551	S	S	.	*	H	α-helix	trans	-64.5	-43.7	176.5	-71.5	173.6	12.5	0	0	111.5	Q56 Q57 Q62 Q63 Q64	Q56-Q60 WeakPolarHBondContact O-CG 3.22Å; Q56-Q60 PolarHBondContact O-N 3.01Å; Q57-Q60 PolarHBondContact O-N 2.64Å; Q60-Q62 VanDerWaalsContact C-N 3.35Å; Q60-Q62 PolarHBondContact O-N 3.07Å; Q60-Q63 PolarHBondContact O-N 3.49Å; Q60-Q64 WeakPolarHBondContact O-CB 3.33Å; Q60-Q64 WeakPolarHBondContact O-CG 3.5Å; Q60-Q64 PolarHBondContact O-N 3.32Å
61	Q	86.9	Confident	79	Confident	123 Å²	123	112 Å²	112	58%	0.575	55%	0.554	S	S	*	*	H	α-helix	trans	-60.6	-43.3	175	-73.5	173.5	26.8	0	0	111.6	Q57 Q63 Q64 S65	Q57-Q61 WeakPolarHBondContact O-CB 3.15Å; Q57-Q61 VanDerWaalsContact O-CG 3.32Å; Q57-Q61 WeakPolarHBondContact O-CG 3.18Å; Q57-Q61 PolarHBondContact O-N 2.89Å; Q61-Q63 PolarHBondContact O-N 2.64Å; Q61-Q64 PolarHBondContact O-N 2.88Å; Q61-S65 PolarHBondContact O-N 2.98Å; Q61-S65 PolarHBondContact O-OG 3.34Å
62	Q	84.5	Confident	76	Confident	121 Å²	121	113 Å²	113	57%	0.565	57%	0.57	S	S	*	*	H	α-helix	trans	-62.3	-40.7	175.7	-79.6	167.5	60.8	0	0	112.6	Q58 K59 Q60 S65 S66	Q58-Q62 WeakPolarHBondContact O-CB 3.4Å; Q58-Q62 VanDerWaalsContact O-CG 3.31Å; Q58-Q62 WeakPolarHBondContact O-CG 3.49Å; Q58-Q62 PolarHBondContact O-N 2.86Å; Q58-Q62 PolarHBondContact O-NE2 3.04Å; Q58-Q62 VanDerWaalsContact O-NE2 3.13Å; K59-Q62 PolarHBondContact O-N 2.95Å; Q60-Q62 VanDerWaalsContact C-N 3.35Å; Q60-Q62 PolarHBondContact O-N 3.07Å; Q62-S65 VanDerWaalsContact CA-OG 3.31Å; Q62-S65 WeakPolarHBondContact CA-OG 3.43Å; Q62-S65 PolarHBondContact O-OG 3.34Å; Q62-S66 PolarHBondContact O-N 3.09Å; Q62-S66 VanDerWaalsContact O-N 3.09Å; Q62-S66 PolarHBondContact O-OG 3.38Å; Q62-S66 VanDerWaalsContact O-OG 3.07Å
63	Q	83.6	Confident	73	Confident	138 Å²	138	114.1 Å²	114.1	65%	0.645	59%	0.586	S	S	*	*	H	α-helix	trans	-68.2	-41.2	177.2	-71.8	171.7	13.5	0	0	112.1	K59 Q60 Q61 S66 S67	K59-Q63 VanDerWaalsContact O-CG 3.31Å; K59-Q63 WeakPolarHBondContact O-CG 3.23Å; K59-Q63 PolarHBondContact O-N 3.46Å; Q60-Q63 PolarHBondContact O-N 3.49Å; Q61-Q63 PolarHBondContact O-N 2.64Å; Q63-S66 PolarHBondContact O-N 2.89Å; Q63-S67 PolarHBondContact O-N 2.93Å; Q63-S67 VanDerWaalsContact O-N 3.1Å
64	Q	80.7	Confident	69.9	Low	135 Å²	135	117.6 Å²	117.6	63%	0.631	61%	0.605	S	S	*	*	H	α-helix	trans	-63.2	-46.2	175.7	-73.8	176.6	0.3	0	0	111.1	Q60 Q61 S66 S67 C68	Q60-Q64 WeakPolarHBondContact O-CB 3.33Å; Q60-Q64 WeakPolarHBondContact O-CG 3.5Å; Q60-Q64 PolarHBondContact O-N 3.32Å; Q61-Q64 PolarHBondContact O-N 2.88Å; Q64-S66 VanDerWaalsContact C-N 3.28Å; Q64-S66 PolarHBondContact O-N 3.06Å; Q64-S67 PolarHBondContact O-N 3.39Å; Q64-C68 PolarHBondContact O-N 3.1Å; Q64-C68 PolarHBondContact O-SG 2.92Å
65	S	74.3	Confident	66.8	Low	60 Å²	60	119.3 Å²	119.3	42%	0.42	62%	0.624	S	S	.	*	H	α-helix	trans	-62.4	-32	176.5	51.7	0	0	0	0	113.5	Q61 Q62	Q61-S65 PolarHBondContact O-N 2.98Å; Q61-S65 PolarHBondContact O-OG 3.34Å; Q62-S65 VanDerWaalsContact CA-OG 3.31Å; Q62-S65 WeakPolarHBondContact CA-OG 3.43Å; Q62-S65 PolarHBondContact O-OG 3.34Å
66	S	69.3	Low	63.7	Low	69 Å²	69	123.2 Å²	123.2	48%	0.483	65%	0.648	S	S	.	*	H	α-helix	trans	-73.5	-27.5	173.9	-62.4	0	0	0	0	112.9	Q62 Q63 Q64	Q62-S66 PolarHBondContact O-N 3.09Å; Q62-S66 VanDerWaalsContact O-N 3.09Å; Q62-S66 PolarHBondContact O-OG 3.38Å; Q62-S66 VanDerWaalsContact O-OG 3.07Å; Q63-S66 PolarHBondContact O-N 2.89Å; Q64-S66 VanDerWaalsContact C-N 3.28Å; Q64-S66 PolarHBondContact O-N 3.06Å
67	S	62.9	Low	60.6	Low	89 Å²	89	123.8 Å²	123.8	62%	0.622	66%	0.659	S	S	*	*	H	α-helix	trans	-79.3	-29.9	-177.6	-170.6	0	0	0	0	113.5	Q63 Q64 I69	Q63-S67 PolarHBondContact O-N 2.93Å; Q63-S67 VanDerWaalsContact O-N 3.1Å; Q64-S67 PolarHBondContact O-N 3.39Å; S67-I69 VanDerWaalsContact C-N 3.33Å; S67-I69 PolarHBondContact O-N 2.82Å
68	C	49.4	Very low	57.2	Low	95 Å²	95	125.2 Å²	125.2	64%	0.642	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-0.9	-178	37.5	0	0	0	0	115	Q64	Q64-C68 PolarHBondContact O-N 3.1Å; Q64-C68 PolarHBondContact O-SG 2.92Å
69	I	48.1	Very low	54.2	Low	142 Å²	142	126.4 Å²	126.4	73%	0.728	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.9	-4.6	178.2	-60	176.7	0	0	0	112.3	S67 Q71	S67-I69 VanDerWaalsContact C-N 3.33Å; S67-I69 PolarHBondContact O-N 2.82Å; I69-Q71 VanDerWaalsContact C-N 3.34Å; I69-Q71 PolarHBondContact O-N 2.87Å
70	V	42.3	Very low	50.8	Low	116 Å²	116	125.8 Å²	125.8	70%	0.703	70%	0.699	S	S	*	*	S	Bend	trans	-89.7	8.3	-175.6	-167.4	0	0	0	0	113.5
71	Q	36.8	Very low	47.7	Very low	166 Å²	166	127.4 Å²	127.4	78%	0.776	72%	0.717	S	S	*	*	S	Bend	trans	-118.7	83.5	174.9	-71.2	179.5	-33.9	0	0	108.9	I69	I69-Q71 VanDerWaalsContact C-N 3.34Å; I69-Q71 PolarHBondContact O-N 2.87Å
72	D	33.3	Very low	44.7	Very low	163 Å²	163	130.9 Å²	130.9	87%	0.872	73%	0.73	S	S	*	*			trans	173.9	82.5	149.3	-84.6	-19.1	0	0	0	109.1
73	V	31.8	Very low	42	Very low	130 Å²	130	132 Å²	132	79%	0.788	74%	0.74	S	S	*	*			trans	-143.3	96.5	164.5	-99.4	0	0	0	0	107.4
74	N	31.4	Very low	39.4	Very low	160 Å²	160	133.2 Å²	133.2	86%	0.856	75%	0.751	S	S	*	*			trans	-164.4	88	155.4	-88	-21.4	0	0	0	107.3
75	N	31.2	Very low	36.9	Very low	169 Å²	169	132.3 Å²	132.3	90%	0.904	76%	0.76	S	S	*	*			trans	-173.2	99.5	138.7	-97.6	-13.3	0	0	0	109.6
76	D	28.2	Very low	34.8	Very low	161 Å²	161	137 Å²	137	86%	0.861	78%	0.779	S	S	*	*			trans	-56.6	126.1	160.9	-65.7	-52	0	0	0	109.8
77	T	28.6	Very low	33	Very low	128 Å²	128	138.8 Å²	138.8	79%	0.785	79%	0.788	S	S	*	*			trans	-168.3	93	140.6	-68.1	0	0	0	0	107.3	V79	T77-V79 HydrophobicContact CG2-CG2 3.95Å
78	C	23.6	Very low	31.5	Very low	129 Å²	129	142.4 Å²	142.4	87%	0.872	80%	0.797	S	S	*	*			trans	-88.4	105.9	167.7	179.7	0	0	0	0	107.9
79	V	28.1	Very low	30.8	Very low	117 Å²	117	144.3 Å²	144.3	71%	0.709	80%	0.801	S	S	*	*			trans	-118.5	117.1	165.1	175.4	0	0	0	0	108.6	T77	T77-V79 HydrophobicContact CG2-CG2 3.95Å
80	T	22.4	Very low	30.1	Very low	121 Å²	121	144.7 Å²	144.7	74%	0.742	81%	0.805	S	S	*	*			trans	-42.7	124.1	169.9	46.4	0	0	0	0	114.1
81	T	25.6	Very low	29.7	Very low	144 Å²	144	143.6 Å²	143.6	88%	0.883	80%	0.798	S	S	*	*			trans	-152.2	142.1	137.7	34.4	0	0	0	0	110.2
82	K	23.6	Very low	29.9	Very low	196 Å²	196	143.1 Å²	143.1	85%	0.852	80%	0.8	S	S	*	*			trans	-66.6	139	-179	-60.7	165.3	176.8	176.3	0	110
83	N	26.9	Very low	30.3	Very low	144 Å²	144	140.2 Å²	140.2	77%	0.77	79%	0.789	S	S	*	*			trans	154.9	120.3	135.9	-75.1	-10.2	0	0	0	110.5
84	D	28.1	Very low	30.7	Very low	164 Å²	164	137 Å²	137	88%	0.877	77%	0.771	S	S	*	*			trans	29.5	88.4	149.2	-58.1	-29.1	0	0	0	118.6
85	S	28.6	Very low	31.3	Very low	116 Å²	116	138.3 Å²	138.3	81%	0.811	77%	0.772	S	S	*	*			trans	-157	131.1	148.8	47.4	0	0	0	0	111.4
86	I	31.6	Very low	32	Very low	159 Å²	159	139.4 Å²	139.4	82%	0.815	77%	0.769	S	S	*	*			trans	-47.2	132.8	-177.3	-63.8	159.1	0	0	0	111.6	M88	I86-M88 PolarHBondContact O-N 2.84Å
87	P	30.7	Very low	32.6	Very low	105 Å²	105	136 Å²	136	68%	0.682	76%	0.758	S	S	*	*			trans	-66.7	108.7	179.7	-14.5	28	0	0	0	111.1	N89	P87-N89 PolarHBondContact O-N 3.07Å
88	M	31.8	Very low	33.6	Very low	165 Å²	165	136.1 Å²	136.1	81%	0.813	75%	0.75	S	S	*	*			trans	-70.6	81.2	166.4	-103.9	-70.7	172.6	0	0	109.2	I86 N90	I86-M88 PolarHBondContact O-N 2.84Å; M88-N90 PolarHBondContact O-N 3.49Å; M88-N90 VanDerWaalsContact O-N 3.17Å
89	N	34.8	Very low	34.5	Very low	135 Å²	135	134.3 Å²	134.3	72%	0.722	74%	0.737	S	S	*	*			trans	-80.7	91.9	167.5	-74.9	-8.9	0	0	0	108.7	P87 T91	P87-N89 PolarHBondContact O-N 3.07Å; N89-T91 PolarHBondContact O-N 3.49Å
90	N	33	Very low	35.6	Very low	150 Å²	150	136.7 Å²	136.7	80%	0.802	74%	0.735	S	S	*	*			trans	-63.8	82.7	164.3	-86.8	-9.6	0	0	0	110	M88	M88-N90 PolarHBondContact O-N 3.49Å; M88-N90 VanDerWaalsContact O-N 3.17Å
91	T	34.2	Very low	37.5	Very low	93 Å²	93	140.5 Å²	140.5	57%	0.571	74%	0.741	S	S	*	*			trans	-117.8	71.3	166.7	-42.5	0	0	0	0	109.2	N89 T93	N89-T91 PolarHBondContact O-N 3.49Å; T91-T93 PolarHBondContact O-N 3.22Å
92	L	40.2	Very low	40.2	Very low	157 Å²	157	140.5 Å²	140.5	82%	0.822	73%	0.725	S	S	*	*			trans	-73.5	21.4	178.4	-159.7	62.6	0	0	0	113.5
93	T	41.8	Very low	43.3	Very low	102 Å²	102	135.2 Å²	135.2	63%	0.626	71%	0.706	S	S	*	*	S	Bend	trans	-126.7	42.7	-176.4	56.2	0	0	0	0	112	T91	T91-T93 PolarHBondContact O-N 3.22Å
94	S	39.3	Very low	46.4	Very low	61 Å²	61	134.1 Å²	134.1	43%	0.427	69%	0.694	S	S	.	*			trans	-158.8	33.3	179.5	-84.3	0	0	0	0	116.7	K96 S97	S94-K96 PolarHBondContact O-N 3.23Å; S94-S97 WeakPolarHBondContact CB-OG 3.43Å; S94-S97 PolarHBondContact O-N 3.16Å; S94-S97 PolarHBondContact O-OG 3.49Å
95	H	44.6	Very low	49.7	Very low	189 Å²	189	126.5 Å²	126.5	88%	0.875	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	14.9	162.8	-78.8	-67.8	0	0	0	114.1
96	K	45.6	Very low	52.9	Low	191 Å²	191	124.4 Å²	124.4	83%	0.83	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.4	-18.6	178.2	-132	178.1	-174.3	178.2	0	113.8	S94	S94-K96 PolarHBondContact O-N 3.23Å
97	S	42.3	Very low	55.9	Low	91 Å²	91	121.7 Å²	121.7	64%	0.636	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-13.7	178.3	44.3	0	0	0	0	113.3	S94 C99	S94-S97 WeakPolarHBondContact CB-OG 3.43Å; S94-S97 PolarHBondContact O-N 3.16Å; S94-S97 PolarHBondContact O-OG 3.49Å; S97-C99 PolarHBondContact O-N 3.49Å
98	E	49.6	Very low	59	Low	130 Å²	130	117 Å²	117	61%	0.607	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	20.1	168.9	-152.3	135.3	-152.9	0	0	112.8	Y100	E98-Y100 HydrophobicContact CG-CD2 3.77Å; E98-Y100 HydrophobicContact CG-CE2 3.2Å; E98-Y100 VanDerWaalsContact O-CD2 3.27Å; E98-Y100 WeakPolarHBondContact O-CD2 3.16Å; E98-Y100 PolarHBondContact O-N 3.31Å; E98-Y100 VanDerWaalsContact OE1-CZ 3.28Å; E98-Y100 PolarHBondContact OE1-OH 2.9Å
99	C	41.3	Very low	62	Low	90 Å²	90	116 Å²	116	61%	0.608	59%	0.592	S	S	*	*			trans	-64.7	74.5	150	176	0	0	0	0	107.2	S97 K101	S97-C99 PolarHBondContact O-N 3.49Å; C99-K101 PolarHBondContact O-N 2.8Å; C99-K101 VanDerWaalsContact O-N 3.1Å
100	Y	51.1	Low	64.9	Low	167 Å²	167	110.1 Å²	110.1	66%	0.655	56%	0.562	S	S	*	*			trans	-36.2	123.7	164.6	-75.4	-85.3	0	0	0	107.3	E98 R102	E98-Y100 HydrophobicContact CG-CD2 3.77Å; E98-Y100 HydrophobicContact CG-CE2 3.2Å; E98-Y100 VanDerWaalsContact O-CD2 3.27Å; E98-Y100 WeakPolarHBondContact O-CD2 3.16Å; E98-Y100 PolarHBondContact O-N 3.31Å; E98-Y100 VanDerWaalsContact OE1-CZ 3.28Å; E98-Y100 PolarHBondContact OE1-OH 2.9Å; Y100-R102 VanDerWaalsContact C-N 3.33Å; Y100-R102 PolarHBondContact O-N 2.97Å
101	K	63.2	Low	67.9	Low	201 Å²	201	108.1 Å²	108.1	87%	0.874	55%	0.548	S	S	*	.			trans	-48.7	109.7	165.3	-72.7	179.3	-180	175.5	0	104.9	C99 L103	C99-K101 PolarHBondContact O-N 2.8Å; C99-K101 VanDerWaalsContact O-N 3.1Å; K101-L103 PolarHBondContact O-N 3.25Å
102	R	81.9	Confident	70.9	Confident	144 Å²	144	103.9 Å²	103.9	54%	0.543	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-55.3	121.2	-175.1	-72.3	178.2	173.1	118.4	4.7	107.3	Y100 K104 R144	Y100-R102 VanDerWaalsContact C-N 3.33Å; Y100-R102 PolarHBondContact O-N 2.97Å; R102-K104 PolarHBondContact O-N 3.16Å; R102-R144 WeakPolarHBondContact CD-O 3.43Å; R102-R144 PolarHBondContact O-NH2 3Å
103	L	88.3	Confident	73.7	Confident	86 Å²	86	99.8 Å²	99.8	45%	0.45	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-48.2	135.6	176.9	-70.6	167	0	0	0	108.7	K101 K147	K101-L103 PolarHBondContact O-N 3.25Å; L103-K147 WeakPolarHBondContact CD1-O 3.42Å
104	K	93.2	Very high	76.4	Confident	121 Å²	121	94.9 Å²	94.9	53%	0.526	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-69.3	151.2	168.6	-68.5	-176.2	174.1	-178.4	0	108.3	R102 S106 D107 S108 D202	R102-K104 PolarHBondContact O-N 3.16Å; K104-S106 PolarHBondContact O-N 3.09Å; K104-D107 PolarHBondContact O-N 3.3Å; K104-D107 VanDerWaalsContact O-N 3.07Å; K104-S108 PolarHBondContact O-N 3.2Å; K104-D202 WeakPolarHBondContact CA-OD2 3.4Å
105	M	95.8	Very high	79.3	Confident	4 Å²	4	92 Å²	92	2%	0.02	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-59.2	-40.2	177.1	-60	-168.2	-44.2	0	0	110.9	D107 S108 N143 P149 V150 Q151 L152 D202 V203	M105-D107 PolarHBondContact O-N 3Å; M105-D107 VanDerWaalsContact O-N 3.09Å; M105-S108 WeakPolarHBondContact O-CB 3.26Å; M105-S108 PolarHBondContact O-N 3.14Å; M105-N143 PolarHBondContact SD-ND2 2.87Å; M105-P149 HydrophobicContact CG-CB 4.07Å; M105-V150 VanDerWaalsContact SD-O 3.36Å; M105-Q151 PolarHBondContact O-NE2 3.02Å; M105-Q151 PolarHBondContact O-OE1 3.38Å; M105-L152 HydrophobicContact CE-CB 4.12Å; M105-L152 HydrophobicContact SD-CB 3.71Å; M105-D202 WeakPolarHBondContact CE-O 3.34Å; M105-D202 PolarHBondContact N-OD2 3.18Å; M105-D202 VanDerWaalsContact SD-O 3.41Å; M105-V203 VanDerWaalsContact CE-CA 3.49Å; M105-V203 HydrophobicContact CE-CB 4.28Å; M105-V203 HydrophobicContact CE-CG2 4.33Å
106	S	95.6	Very high	81.9	Confident	72 Å²	72	83 Å²	83	50%	0.503	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-56.1	-27.7	176	59.2	0	0	0	0	114.7	K104	K104-S106 PolarHBondContact O-N 3.09Å
107	D	95.2	Very high	84.4	Confident	102 Å²	102	74 Å²	74	55%	0.545	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-99.4	2.1	-174.8	-49.4	-20.1	0	0	0	111.3	K104 M105	K104-D107 PolarHBondContact O-N 3.3Å; K104-D107 VanDerWaalsContact O-N 3.07Å; M105-D107 PolarHBondContact O-N 3Å; M105-D107 VanDerWaalsContact O-N 3.09Å
108	S	95.8	Very high	87	Confident	7 Å²	7	69.7 Å²	69.7	5%	0.049	34%	0.336	C	S	.	.			trans	-72	144.3	177.6	-175	0	0	0	0	110.9	K104 M105 C110 Q111 Y148 P149	K104-S108 PolarHBondContact O-N 3.2Å; M105-S108 WeakPolarHBondContact O-CB 3.26Å; M105-S108 PolarHBondContact O-N 3.14Å; S108-C110 PolarHBondContact O-N 3.31Å; S108-C110 PolarHBondContact OG-N 2.98Å; S108-C110 VanDerWaalsContact OG-N 3.12Å; S108-Q111 PolarHBondContact O-OE1 3.12Å; S108-Y148 VanDerWaalsContact OG-C 3.29Å; S108-Y148 WeakPolarHBondContact OG-CA 3.41Å; S108-P149 WeakPolarHBondContact CB-O 3.44Å; S108-P149 WeakPolarHBondContact OG-CD 3.31Å; S108-P149 PolarHBondContact OG-O 3.48Å
109	L	94.9	Very high	89.2	Confident	143 Å²	143	64.7 Å²	64.7	75%	0.749	32%	0.315	S	S	*	.	S	Bend	trans	-68.5	-21.7	168.7	-61.9	-179.3	0	0	0	112.1	Q111 Y148	L109-Q111 PolarHBondContact O-N 3.4Å; L109-Y148 HydrophobicContact CB-CD1 4.03Å; L109-Y148 HydrophobicContact CB-CE1 4.38Å; L109-Y148 HydrophobicContact CD1-CD1 4.18Å; L109-Y148 HydrophobicContact CD1-CE1 3.68Å; L109-Y148 HydrophobicContact CG-CD1 4.25Å; L109-Y148 HydrophobicContact CG-CE1 4.22Å
110	C	95.5	Very high	91.8	Very high	11 Å²	11	60.9 Å²	60.9	7%	0.074	29%	0.288	C	S	.	.			trans	-87.1	102.1	176.2	-174	0	0	0	0	110.4	S108 Q151 L352 N353	S108-C110 PolarHBondContact O-N 3.31Å; S108-C110 PolarHBondContact OG-N 2.98Å; S108-C110 VanDerWaalsContact OG-N 3.12Å; C110-Q151 PolarHBondContact O-NE2 3Å; C110-L352 PolarHBondContact SG-O 3.14Å; C110-N353 HydrophobicContact CB-CB 3.91Å
111	Q	96.8	Very high	93.8	Very high	109 Å²	109	54.1 Å²	54.1	51%	0.509	26%	0.264	S	S	.	.			trans	-91.5	-2.2	179.2	-62.1	-63.5	73.2	0	0	113.9	S108 L109 K113 Q151	S108-Q111 PolarHBondContact O-OE1 3.12Å; L109-Q111 PolarHBondContact O-N 3.4Å; Q111-K113 PolarHBondContact O-N 3.49Å; Q111-Q151 WeakPolarHBondContact O-CG 3.48Å
112	T	97.7	Very high	95.2	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.025	25%	0.246	C	C	.	.			trans	-60.8	134.6	177.2	-56	0	0	0	0	110.5	Q151 H291 Y295 L352	T112-Q151 PolarHBondContact O-N 3.02Å; T112-H291 WeakPolarHBondContact OG1-CB 3.46Å; T112-H291 PolarHBondContact OG1-ND1 3.27Å; T112-H291 VanDerWaalsContact OG1-ND1 3.09Å; T112-H291 PolarHBondContact OG1-O 2.97Å; T112-Y295 HydrophobicContact CG2-CD2 3.74Å; T112-Y295 HydrophobicContact CG2-CE2 3.76Å; T112-L352 HydrophobicContact CG2-CD1 3.86Å; T112-L352 HydrophobicContact CG2-CD2 4.21Å; T112-L352 HydrophobicContact CG2-CG 4.45Å
113	K	98.6	Very high	95.8	Very high	70 Å²	70	45.5 Å²	45.5	30%	0.304	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.3	-175.9	-55.4	-175.1	-179.1	60.3	0	110	Q111 Q151 Y153 F214 I294 Y295	Q111-K113 PolarHBondContact O-N 3.49Å; K113-Q151 WeakPolarHBondContact CA-O 3.32Å; K113-Q151 HydrophobicContact CB-CB 4.45Å; K113-Q151 HydrophobicContact CG-CB 3.97Å; K113-Q151 HydrophobicContact CG-CG 4.49Å; K113-Y153 HydrophobicContact CB-CD2 4.3Å; K113-Y153 HydrophobicContact CB-CE2 4.04Å; K113-Y153 HydrophobicContact CD-CE2 3.82Å; K113-Y153 HydrophobicContact CG-CE2 3.93Å; K113-F214 HydrophobicContact CD-CD1 4.45Å; K113-F214 HydrophobicContact CD-CE1 3.59Å; K113-F214 HydrophobicContact CD-CZ 4.09Å; K113-I294 HydrophobicContact CB-CD1 3.67Å; K113-I294 HydrophobicContact CB-CG2 4.46Å; K113-I294 HydrophobicContact CD-CD1 3.64Å; K113-I294 HydrophobicContact CG-CD1 3.97Å; K113-Y295 PolarHBondContact O-N 2.91Å; K113-Y295 VanDerWaalsContact O-N 3.1Å
114	V	98.8	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.5	174.8	-178.4	0	0	0	0	108.3	V150 Q151 L152 Y153 Y295 I297 F345 L348 L352	V114-V150 HydrophobicContact CB-CG2 4.03Å; V114-V150 HydrophobicContact CG2-CB 4.06Å; V114-V150 HydrophobicContact CG2-CG1 4.25Å; V114-V150 HydrophobicContact CG2-CG2 3.84Å; V114-Q151 PolarHBondContact N-O 2.86Å; V114-L152 WeakPolarHBondContact O-CA 3.42Å; V114-Y153 PolarHBondContact O-N 3.39Å; V114-Y295 CarbonylContact C-O 3.58Å; V114-Y295 WeakPolarHBondContact CA-O 3.47Å; V114-I297 HydrophobicContact CG1-CD1 3.92Å; V114-I297 HydrophobicContact CG1-CG1 4.49Å; V114-F345 HydrophobicContact CB-CE2 4.27Å; V114-F345 HydrophobicContact CG1-CD2 3.87Å; V114-F345 HydrophobicContact CG1-CE2 3.78Å; V114-L348 HydrophobicContact CG1-CD2 4.05Å; V114-L348 HydrophobicContact CG2-CD2 4.16Å; V114-L352 HydrophobicContact CG2-CD1 3.62Å
115	V	98.9	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134	-176.8	179.8	0	0	0	0	109.2	Y153 T155 F210 F214 I294 Y295 V296 I297	V115-Y153 CarbonylContact C-O 3.58Å; V115-Y153 WeakPolarHBondContact CA-O 3.02Å; V115-T155 HydrophobicContact CG1-CG2 3.77Å; V115-T155 WeakPolarHBondContact CG1-OG1 3.13Å; V115-F210 HydrophobicContact CG1-CB 3.84Å; V115-F210 HydrophobicContact CG1-CD1 4.36Å; V115-F210 HydrophobicContact CG1-CG 4.3Å; V115-F214 HydrophobicContact CG2-CD2 4.3Å; V115-F214 HydrophobicContact CG2-CE2 3.7Å; V115-F214 HydrophobicContact CG2-CZ 4.47Å; V115-I294 HydrophobicContact CG2-CG2 3.59Å; V115-Y295 PolarHBondContact N-O 3.39Å; V115-V296 HydrophobicContact CB-CB 4.4Å; V115-V296 HydrophobicContact CB-CG1 4.3Å; V115-V296 HydrophobicContact CB-CG2 4.06Å; V115-V296 HydrophobicContact CG1-CG1 4.24Å; V115-V296 HydrophobicContact CG2-CG2 4.36Å; V115-V296 CarbonylContact O-C 3.59Å; V115-I297 PolarHBondContact O-N 2.78Å
116	I	98.8	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.7	161.2	-54	177.2	0	0	0	107.5	C118 V136 C139 L152 Y153 T155 I297 T341	I116-C118 PolarHBondContact O-N 3.31Å; I116-V136 HydrophobicContact CD1-CG2 4.35Å; I116-V136 HydrophobicContact CG2-CG2 4.2Å; I116-C139 HydrophobicContact CD1-CB 3.86Å; I116-L152 HydrophobicContact CD1-CD1 4.16Å; I116-L152 HydrophobicContact CG1-CD1 4.15Å; I116-Y153 PolarHBondContact N-O 3.25Å; I116-T155 PolarHBondContact O-N 3.43Å; I116-T155 PolarHBondContact O-OG1 2.92Å; I116-I297 WeakPolarHBondContact CA-O 3.32Å; I116-T341 HydrophobicContact CG2-CG2 3.87Å
117	D	98.4	Very high	96	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.011	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	105.4	178.1	171.1	18.2	0	0	0	110.2	S119 Y120 F210 Y221 V296 I297 G299	D117-S119 WeakPolarHBondContact OD1-CB 3.33Å; D117-S119 PolarHBondContact OD1-N 3.35Å; D117-S119 PolarHBondContact OD1-OG 2.9Å; D117-Y120 HydrophobicContact CB-CE2 4.31Å; D117-Y120 WeakPolarHBondContact O-CD2 3.45Å; D117-Y120 WeakPolarHBondContact O-CE2 3.26Å; D117-Y120 VanDerWaalsContact OD2-CE2 3.23Å; D117-Y120 WeakPolarHBondContact OD2-CE2 3.36Å; D117-Y120 PolarHBondContact OD2-OH 2.89Å; D117-F210 HydrophobicContact CB-CD1 3.97Å; D117-F210 HydrophobicContact CB-CE1 3.83Å; D117-F210 WeakPolarHBondContact OD2-CE1 3.46Å; D117-Y221 PolarHBondContact OD2-OH 2.95Å; D117-V296 HydrophobicContact CB-CG1 3.87Å; D117-I297 PolarHBondContact N-O 2.68Å; D117-G299 WeakPolarHBondContact O-CA 3.31Å; D117-G299 PolarHBondContact O-N 2.89Å
118	C	97.6	Very high	96	Very high	1 Å²	1	43 Å²	43	1%	0.007	21%	0.213	C	C	.	.			trans	-102.1	17.3	-175.7	-63.6	0	0	0	0	113.4	I116 Y120 T155 L157 L189	I116-C118 PolarHBondContact O-N 3.31Å; C118-Y120 PolarHBondContact O-N 3.36Å; C118-T155 WeakPolarHBondContact CA-O 3.43Å; C118-T155 VanDerWaalsContact CB-O 3.23Å; C118-T155 WeakPolarHBondContact CB-O 3.3Å; C118-T155 PolarHBondContact N-O 3.01Å; C118-L157 HydrophobicContact CB-CD2 4.19Å; C118-L189 HydrophobicContact CB-CD2 3.38Å; C118-L189 WeakPolarHBondContact SG-CD2 3.32Å
119	S	95.2	Very high	96	Very high	24 Å²	24	43 Å²	43	17%	0.168	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	15.5	-173.7	63.2	0	0	0	0	115.5	D117 H122	D117-S119 WeakPolarHBondContact OD1-CB 3.33Å; D117-S119 PolarHBondContact OD1-N 3.35Å; D117-S119 PolarHBondContact OD1-OG 2.9Å; S119-H122 PolarHBondContact O-CE1 3.43Å; S119-H122 PolarHBondContact O-ND1 2.99Å
120	Y	95.6	Very high	96.1	Very high	10 Å²	10	37.2 Å²	37.2	4%	0.039	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	17.2	-167.7	-53.5	-63.5	0	0	0	115.3	D117 C118 H122 L123 Y221 L300 Y309	D117-Y120 HydrophobicContact CB-CE2 4.31Å; D117-Y120 WeakPolarHBondContact O-CD2 3.45Å; D117-Y120 WeakPolarHBondContact O-CE2 3.26Å; D117-Y120 VanDerWaalsContact OD2-CE2 3.23Å; D117-Y120 WeakPolarHBondContact OD2-CE2 3.36Å; D117-Y120 PolarHBondContact OD2-OH 2.89Å; C118-Y120 PolarHBondContact O-N 3.36Å; Y120-H122 PolarHBondContact O-N 3.44Å; Y120-H122 VanDerWaalsContact O-N 3.11Å; Y120-L123 HydrophobicContact CD1-CD1 3.94Å; Y120-L123 PolarHBondContact O-N 3.34Å; Y120-Y221 PolarHBondContact OH-OH 3.17Å; Y120-L300 HydrophobicContact CD2-CB 3.92Å; Y120-L300 HydrophobicContact CE2-CB 4.48Å; Y120-L300 HydrophobicContact CG-CB 4.18Å; Y120-L300 HydrophobicContact CG-CD1 4.37Å; Y120-Y309 HydrophobicContact CD1-CE1 4Å; Y120-Y309 HydrophobicContact CE1-CD1 4.31Å; Y120-Y309 AromaticContact CE1-CE1 3.68Å; Y120-Y309 HydrophobicContact CE1-CE1 3.68Å
121	D	94	Very high	96.2	Very high	26 Å²	26	39.6 Å²	39.6	14%	0.139	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-50.6	-39.3	-179.8	-81.1	-0.5	0	0	0	112.9	L123 M124 R188 L189	D121-L123 PolarHBondContact O-N 2.93Å; D121-M124 PolarHBondContact O-N 3.09Å; D121-R188 WeakPolarHBondContact OD2-CA 3.4Å; D121-R188 WeakPolarHBondContact OD2-CB 3.27Å; D121-L189 WeakPolarHBondContact OD1-CB 3.29Å; D121-L189 PolarHBondContact OD1-N 3.38Å; D121-L189 PolarHBondContact OD2-N 3.39Å
122	H	92.6	Very high	96.3	Very high	110 Å²	110	34.4 Å²	34.4	51%	0.509	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-68.8	-13.1	179.3	63.2	-77.7	0	0	0	114.6	S119 Y120	S119-H122 PolarHBondContact O-CE1 3.43Å; S119-H122 PolarHBondContact O-ND1 2.99Å; Y120-H122 PolarHBondContact O-N 3.44Å; Y120-H122 VanDerWaalsContact O-N 3.11Å
123	L	93.9	Very high	96.3	Very high	53 Å²	53	34.4 Å²	34.4	28%	0.277	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-103	-0.4	178.1	-56.6	178.9	0	0	0	112.7	Y120 D121 L300 L306 Y309	Y120-L123 HydrophobicContact CD1-CD1 3.94Å; Y120-L123 PolarHBondContact O-N 3.34Å; D121-L123 PolarHBondContact O-N 2.93Å; L123-L300 HydrophobicContact CB-CD1 3.92Å; L123-L300 HydrophobicContact CD1-CD1 4.46Å; L123-L306 HydrophobicContact CB-CD1 4.18Å; L123-L306 HydrophobicContact CD1-CD1 4.04Å; L123-L306 HydrophobicContact CD2-CD1 4.32Å; L123-L306 HydrophobicContact CG-CD1 4.41Å; L123-Y309 HydrophobicContact CD1-CD1 4.2Å; L123-Y309 HydrophobicContact CD1-CE1 3.58Å; L123-Y309 HydrophobicContact CD1-CE2 4.11Å
124	M	94.6	Very high	96.3	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.079	18%	0.179	C	C	.	.	S	Bend	trans	-118.8	139.7	-173.7	-70.5	-171.2	-70.6	0	0	112.2	D121 D128 I129 L132 L300 I301	D121-M124 PolarHBondContact O-N 3.09Å; M124-D128 HydrophobicContact CB-CB 4.12Å; M124-D128 HydrophobicContact CG-CB 4.39Å; M124-I129 HydrophobicContact CB-CG1 3.74Å; M124-I129 HydrophobicContact CE-CG1 4.24Å; M124-L132 HydrophobicContact CE-CD2 3.48Å; M124-L132 VanDerWaalsContact CE-CD2 3.48Å; M124-L132 HydrophobicContact SD-CB 4.48Å; M124-L132 HydrophobicContact SD-CD2 3.95Å; M124-L300 HydrophobicContact CG-CD1 3.89Å; M124-L300 HydrophobicContact SD-CD1 4.45Å; M124-I301 WeakPolarHBondContact CG-O 3.29Å; M124-I301 HydrophobicContact SD-CB 4.08Å; M124-I301 PolarHBondContact SD-N 2.98Å
125	S	93.6	Very high	96.2	Very high	57 Å²	57	37.1 Å²	37.1	40%	0.399	19%	0.187	S	C	.	.			trans	-66.2	157.6	166.8	78.8	0	0	0	0	110.5	K127 D128 I129	S125-K127 PolarHBondContact O-N 2.98Å; S125-K127 VanDerWaalsContact O-N 3.09Å; S125-K127 PolarHBondContact OG-N 3.31Å; S125-D128 WeakPolarHBondContact O-CA 3.29Å; S125-D128 PolarHBondContact O-N 3.48Å; S125-D128 VanDerWaalsContact OG-CG 3.29Å; S125-D128 PolarHBondContact OG-N 2.76Å; S125-D128 PolarHBondContact OG-OD2 2.9Å; S125-I129 WeakPolarHBondContact O-CG1 3.38Å; S125-I129 PolarHBondContact O-N 3Å
126	F	93.3	Very high	96.2	Very high	102 Å²	102	37.1 Å²	37.1	45%	0.447	19%	0.187	S	C	.	.	H	α-helix	trans	-51.7	-37	173.2	169.6	-109.5	0	0	0	113.1	D128 C130 I187	F126-D128 VanDerWaalsContact C-N 3.31Å; F126-D128 PolarHBondContact O-N 3.38Å; F126-C130 VanDerWaalsContact CE2-SG 3.55Å; F126-C130 VanDerWaalsContact CZ-SG 3.5Å; F126-C130 PolarHBondContact O-N 3.3Å; F126-C130 PolarHBondContact O-SG 3.06Å; F126-I187 HydrophobicContact CD2-CB 4.01Å; F126-I187 HydrophobicContact CD2-CD1 3.36Å; F126-I187 HydrophobicContact CD2-CG1 4.27Å; F126-I187 HydrophobicContact CD2-CG2 3.8Å; F126-I187 HydrophobicContact CE2-CB 4.41Å; F126-I187 HydrophobicContact CE2-CD1 3.46Å; F126-I187 VanDerWaalsContact CE2-CD1 3.46Å; F126-I187 HydrophobicContact CE2-CG1 4.49Å; F126-I187 HydrophobicContact CE2-CG2 3.81Å; F126-I187 HydrophobicContact CG-CD1 4.15Å; F126-I187 HydrophobicContact CZ-CD1 4.3Å
127	K	95.8	Very high	96.2	Very high	144 Å²	144	37.8 Å²	37.8	63%	0.626	19%	0.192	S	C	*	.	H	α-helix	trans	-64.6	-38.4	177.1	-176.5	-177.7	178.1	-174.9	0	111.2	S125 C130 K131	S125-K127 PolarHBondContact O-N 2.98Å; S125-K127 VanDerWaalsContact O-N 3.09Å; S125-K127 PolarHBondContact OG-N 3.31Å; K127-C130 PolarHBondContact O-N 3.43Å; K127-K131 WeakPolarHBondContact O-CG 3.44Å; K127-K131 PolarHBondContact O-N 3.16Å; K127-K131 VanDerWaalsContact O-N 3.11Å
128	D	96.2	Very high	96.2	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.07	21%	0.212	C	C	.	.	H	α-helix	trans	-76.2	-38	-179.6	-62.6	-40.8	0	0	0	111.9	M124 S125 F126 C130 K131 L132 I301 H303	M124-D128 HydrophobicContact CB-CB 4.12Å; M124-D128 HydrophobicContact CG-CB 4.39Å; S125-D128 WeakPolarHBondContact O-CA 3.29Å; S125-D128 PolarHBondContact O-N 3.48Å; S125-D128 VanDerWaalsContact OG-CG 3.29Å; S125-D128 PolarHBondContact OG-N 2.76Å; S125-D128 PolarHBondContact OG-OD2 2.9Å; F126-D128 VanDerWaalsContact C-N 3.31Å; F126-D128 PolarHBondContact O-N 3.38Å; D128-C130 VanDerWaalsContact C-N 3.29Å; D128-C130 PolarHBondContact O-N 3.22Å; D128-K131 WeakPolarHBondContact O-CB 3.45Å; D128-K131 PolarHBondContact O-N 3.38Å; D128-K131 IonicContact OD1-NZ 3.11Å; D128-K131 PolarHBondContact OD1-NZ 3.29Å; D128-L132 PolarHBondContact O-N 3.13Å; D128-I301 HydrophobicContact CB-CB 4.06Å; D128-I301 HydrophobicContact CB-CG2 3.88Å; D128-I301 VanDerWaalsContact CB-O 3.27Å; D128-I301 WeakPolarHBondContact CB-O 3.3Å; D128-H303 IonicContact OD1-CE1 3.86Å; D128-H303 PolarHBondContact OD1-CE1 3.32Å; D128-H303 IonicContact OD1-ND1 3.75Å; D128-H303 IonicContact OD1-NE2 3.48Å; D128-H303 IonicContact OD2-CE1 2.82Å; D128-H303 IonicContact OD2-ND1 3.86Å
129	I	96.1	Very high	96.2	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.036	21%	0.211	C	C	.	.	H	α-helix	trans	-56	-45.1	167.9	-62.7	176.2	0	0	0	110.5	M124 S125 K131 L132 A133 I187 L189 R192	M124-I129 HydrophobicContact CB-CG1 3.74Å; M124-I129 HydrophobicContact CE-CG1 4.24Å; S125-I129 WeakPolarHBondContact O-CG1 3.38Å; S125-I129 PolarHBondContact O-N 3Å; I129-K131 VanDerWaalsContact C-N 3.32Å; I129-K131 PolarHBondContact O-N 3.11Å; I129-L132 PolarHBondContact O-N 2.87Å; I129-A133 PolarHBondContact O-N 3.25Å; I129-I187 VanDerWaalsContact CD1-O 3.29Å; I129-I187 WeakPolarHBondContact CD1-O 3.4Å; I129-L189 HydrophobicContact CG2-CB 4.12Å; I129-L189 HydrophobicContact CG2-CD1 4.08Å; I129-L189 WeakPolarHBondContact O-CD1 3.44Å; I129-R192 HydrophobicContact CG2-CG 3.93Å
130	C	96.3	Very high	96.4	Very high	23 Å²	23	41.5 Å²	41.5	16%	0.155	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-37.3	176.2	-71.5	0	0	0	0	112.9	F126 K127 D128 N134	F126-C130 VanDerWaalsContact CE2-SG 3.55Å; F126-C130 VanDerWaalsContact CZ-SG 3.5Å; F126-C130 PolarHBondContact O-N 3.3Å; F126-C130 PolarHBondContact O-SG 3.06Å; K127-C130 PolarHBondContact O-N 3.43Å; D128-C130 VanDerWaalsContact C-N 3.29Å; D128-C130 PolarHBondContact O-N 3.22Å; C130-N134 PolarHBondContact O-N 2.91Å; C130-N134 PolarHBondContact O-ND2 3.5Å; C130-N134 VanDerWaalsContact O-ND2 3.09Å
131	K	98	Very high	96.4	Very high	61 Å²	61	43 Å²	43	27%	0.265	22%	0.22	S	C	.	.	H	α-helix	trans	-67.6	-41.8	175.1	-69.7	170.4	-170	160.1	0	111	K127 D128 I129 N134 Q135 I301 H303	K127-K131 WeakPolarHBondContact O-CG 3.44Å; K127-K131 PolarHBondContact O-N 3.16Å; K127-K131 VanDerWaalsContact O-N 3.11Å; D128-K131 WeakPolarHBondContact O-CB 3.45Å; D128-K131 PolarHBondContact O-N 3.38Å; D128-K131 IonicContact OD1-NZ 3.11Å; D128-K131 PolarHBondContact OD1-NZ 3.29Å; I129-K131 VanDerWaalsContact C-N 3.32Å; I129-K131 PolarHBondContact O-N 3.11Å; K131-N134 PolarHBondContact O-N 3.43Å; K131-Q135 WeakPolarHBondContact O-CG 3.42Å; K131-Q135 PolarHBondContact O-N 3.48Å; K131-I301 HydrophobicContact CB-CD1 3.65Å; K131-I301 HydrophobicContact CD-CG2 4.21Å; K131-H303 PolarHBondContact NZ-CE1 2.85Å; K131-H303 PolarHBondContact NZ-NE2 3.26Å
132	L	98.2	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-65.2	-44.2	-179.7	-179.8	62.9	0	0	0	110.7	M124 D128 I129 N134 Q135 V136 L189 G299 I301	M124-L132 HydrophobicContact CE-CD2 3.48Å; M124-L132 VanDerWaalsContact CE-CD2 3.48Å; M124-L132 HydrophobicContact SD-CB 4.48Å; M124-L132 HydrophobicContact SD-CD2 3.95Å; D128-L132 PolarHBondContact O-N 3.13Å; I129-L132 PolarHBondContact O-N 2.87Å; L132-N134 VanDerWaalsContact C-N 3.26Å; L132-N134 PolarHBondContact O-N 2.99Å; L132-Q135 CarbonylContact O-C 3.6Å; L132-Q135 WeakPolarHBondContact O-CA 3.43Å; L132-Q135 WeakPolarHBondContact O-CB 3.31Å; L132-Q135 PolarHBondContact O-N 2.82Å; L132-V136 HydrophobicContact CD1-CG2 4.14Å; L132-V136 HydrophobicContact CG-CG2 4.26Å; L132-V136 WeakPolarHBondContact O-CG2 3.31Å; L132-V136 PolarHBondContact O-N 3.21Å; L132-L189 HydrophobicContact CB-CD1 3.88Å; L132-L189 HydrophobicContact CD2-CD1 3.88Å; L132-L189 HydrophobicContact CD2-CD2 3.75Å; L132-L189 HydrophobicContact CD2-CG 4.41Å; L132-L189 HydrophobicContact CG-CD1 3.81Å; L132-L189 HydrophobicContact CG-CD2 4.15Å; L132-G299 WeakPolarHBondContact CD2-O 3.47Å; L132-I301 VanDerWaalsContact CA-CD1 3.49Å; L132-I301 HydrophobicContact CB-CD1 3.69Å; L132-I301 HydrophobicContact CB-CG1 4.22Å; L132-I301 HydrophobicContact CD1-CD1 4.32Å; L132-I301 HydrophobicContact CD1-CG1 4.4Å; L132-I301 VanDerWaalsContact N-CD1 3.3Å
133	A	97.9	Very high	96.8	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-55.1	-44.1	175.5	0	0	0	0	0	111.7	I129 V136 A137 L189 R192 L193	I129-A133 PolarHBondContact O-N 3.25Å; A133-V136 PolarHBondContact O-N 2.66Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.39Å; A133-L189 HydrophobicContact CB-CD1 3.8Å; A133-R192 HydrophobicContact CB-CB 3.6Å; A133-L193 HydrophobicContact CB-CD2 4.21Å
134	N	98.1	Very high	96.9	Very high	95 Å²	95	37.4 Å²	37.4	51%	0.508	19%	0.19	S	C	.	.	H	α-helix	trans	-65	-39.7	175.3	-69.8	-33.6	0	0	0	112.2	C130 K131 L132 N138	C130-N134 PolarHBondContact O-N 2.91Å; C130-N134 PolarHBondContact O-ND2 3.5Å; C130-N134 VanDerWaalsContact O-ND2 3.09Å; K131-N134 PolarHBondContact O-N 3.43Å; L132-N134 VanDerWaalsContact C-N 3.26Å; L132-N134 PolarHBondContact O-N 2.99Å; N134-N138 WeakPolarHBondContact O-CB 3.3Å; N134-N138 PolarHBondContact O-N 3.32Å; N134-N138 PolarHBondContact O-ND2 2.78Å; N134-N138 VanDerWaalsContact O-ND2 3.09Å
135	Q	98.3	Very high	96.9	Very high	32 Å²	32	43.8 Å²	43.8	15%	0.15	21%	0.213	C	C	.	.	H	α-helix	trans	-64.3	-46.3	176.4	-73.3	-169.3	51.7	0	0	111.7	K131 L132 A137 N138 C139 T341 L342	K131-Q135 WeakPolarHBondContact O-CG 3.42Å; K131-Q135 PolarHBondContact O-N 3.48Å; L132-Q135 CarbonylContact O-C 3.6Å; L132-Q135 WeakPolarHBondContact O-CA 3.43Å; L132-Q135 WeakPolarHBondContact O-CB 3.31Å; L132-Q135 PolarHBondContact O-N 2.82Å; Q135-A137 PolarHBondContact O-N 3.14Å; Q135-N138 CarbonylContact O-C 3.58Å; Q135-N138 WeakPolarHBondContact O-CB 3.42Å; Q135-N138 PolarHBondContact O-N 2.72Å; Q135-N138 VanDerWaalsContact O-N 3.14Å; Q135-C139 PolarHBondContact O-N 2.69Å; Q135-C139 PolarHBondContact O-SG 3.32Å; Q135-T341 VanDerWaalsContact OE1-N 3.17Å; Q135-L342 HydrophobicContact CB-CB 4.09Å; Q135-L342 HydrophobicContact CG-CB 4.04Å
136	V	98.6	Very high	96.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-45.3	176.5	172.5	0	0	0	0	111.4	I116 L132 A133 N138 C139 Y140 I154 L193 W201	I116-V136 HydrophobicContact CD1-CG2 4.35Å; I116-V136 HydrophobicContact CG2-CG2 4.2Å; L132-V136 HydrophobicContact CD1-CG2 4.14Å; L132-V136 HydrophobicContact CG-CG2 4.26Å; L132-V136 WeakPolarHBondContact O-CG2 3.31Å; L132-V136 PolarHBondContact O-N 3.21Å; A133-V136 PolarHBondContact O-N 2.66Å; V136-N138 VanDerWaalsContact C-N 3.26Å; V136-N138 PolarHBondContact O-N 2.77Å; V136-C139 WeakPolarHBondContact O-CB 3.14Å; V136-C139 PolarHBondContact O-N 3.11Å; V136-C139 VanDerWaalsContact O-N 3.16Å; V136-Y140 PolarHBondContact O-N 2.81Å; V136-I154 HydrophobicContact CG1-CD1 3.39Å; V136-I154 HydrophobicContact CG1-CG1 3.98Å; V136-I154 HydrophobicContact CG1-CG2 4.23Å; V136-L193 HydrophobicContact CB-CD2 4.11Å; V136-L193 HydrophobicContact CG1-CD1 4.3Å; V136-L193 HydrophobicContact CG1-CD2 3.89Å; V136-W201 HydrophobicContact CG1-CZ3 4.4Å
137	A	98.2	Very high	96.9	Very high	13 Å²	13	44 Å²	44	11%	0.107	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-37	175.4	0	0	0	0	0	112.7	A133 Q135 S141 W201	A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.39Å; Q135-A137 PolarHBondContact O-N 3.14Å; A137-S141 WeakPolarHBondContact O-CB 3.4Å; A137-S141 PolarHBondContact O-N 3.11Å; A137-S141 PolarHBondContact O-OG 3.16Å; A137-W201 VanDerWaalsContact CA-CH2 3.44Å; A137-W201 HydrophobicContact CB-CH2 3.55Å; A137-W201 HydrophobicContact CB-CZ2 4.04Å
138	N	98.2	Very high	96.9	Very high	81 Å²	81	40.2 Å²	40.2	43%	0.433	19%	0.194	S	C	.	.	H	α-helix	trans	-72.1	-37.5	175.6	-72	-29.7	0	0	0	112.2	N134 Q135 V136 S141 F142 L342	N134-N138 WeakPolarHBondContact O-CB 3.3Å; N134-N138 PolarHBondContact O-N 3.32Å; N134-N138 PolarHBondContact O-ND2 2.78Å; N134-N138 VanDerWaalsContact O-ND2 3.09Å; Q135-N138 CarbonylContact O-C 3.58Å; Q135-N138 WeakPolarHBondContact O-CB 3.42Å; Q135-N138 PolarHBondContact O-N 2.72Å; Q135-N138 VanDerWaalsContact O-N 3.14Å; V136-N138 VanDerWaalsContact C-N 3.26Å; V136-N138 PolarHBondContact O-N 2.77Å; N138-S141 PolarHBondContact O-N 2.88Å; N138-F142 VanDerWaalsContact O-CB 3.22Å; N138-F142 WeakPolarHBondContact O-CB 3.47Å; N138-F142 PolarHBondContact O-N 3.22Å; N138-L342 HydrophobicContact CB-CD1 3.68Å; N138-L342 HydrophobicContact CB-CD2 3.81Å; N138-L342 HydrophobicContact CB-CG 4.39Å
139	C	98.5	Very high	97	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-58.5	-51	172.6	-64.7	0	0	0	0	110.7	I116 Q135 V136 S141 F142 N143 F345	I116-C139 HydrophobicContact CD1-CB 3.86Å; Q135-C139 PolarHBondContact O-N 2.69Å; Q135-C139 PolarHBondContact O-SG 3.32Å; V136-C139 WeakPolarHBondContact O-CB 3.14Å; V136-C139 PolarHBondContact O-N 3.11Å; V136-C139 VanDerWaalsContact O-N 3.16Å; C139-S141 PolarHBondContact O-N 2.96Å; C139-F142 PolarHBondContact O-N 2.83Å; C139-N143 WeakPolarHBondContact O-CB 3.45Å; C139-N143 PolarHBondContact O-N 2.88Å; C139-F345 HydrophobicContact CB-CB 4.44Å; C139-F345 HydrophobicContact CB-CD1 3.63Å; C139-F345 HydrophobicContact CB-CD2 4.3Å; C139-F345 HydrophobicContact CB-CE1 3.88Å; C139-F345 HydrophobicContact CB-CG 3.85Å; C139-F345 HydrophobicContact CB-CZ 4.34Å; C139-F345 VanDerWaalsContact O-CE1 3.27Å; C139-F345 WeakPolarHBondContact O-CE1 3.35Å
140	Y	97.9	Very high	97.1	Very high	25 Å²	25	39.3 Å²	39.3	10%	0.098	19%	0.189	C	C	.	.	H	α-helix	trans	-55.7	-51.3	175.2	166.8	-109.3	0	0	0	111.5	V136 F142 N143 R144 W201 D202 V203	V136-Y140 PolarHBondContact O-N 2.81Å; Y140-F142 VanDerWaalsContact C-N 3.29Å; Y140-F142 PolarHBondContact O-N 3.19Å; Y140-N143 PolarHBondContact O-N 3.19Å; Y140-R144 HydrophobicContact CD2-CG 3.84Å; Y140-R144 HydrophobicContact CE1-CG 4.26Å; Y140-R144 HydrophobicContact CE2-CG 3.33Å; Y140-R144 HydrophobicContact CG-CG 4.48Å; Y140-R144 WeakPolarHBondContact O-CG 3.39Å; Y140-R144 PolarHBondContact O-N 3.39Å; Y140-R144 PolarHBondContact OH-NH1 2.65Å; Y140-W201 HydrophobicContact CD1-CB 4.33Å; Y140-W201 AromaticContact CD1-CD2 3.42Å; Y140-W201 HydrophobicContact CD1-CD2 3.42Å; Y140-W201 VanDerWaalsContact CD1-CD2 3.42Å; Y140-W201 AromaticContact CD1-CE2 3.81Å; Y140-W201 AromaticContact CD1-CE3 3.68Å; Y140-W201 HydrophobicContact CD1-CE3 3.68Å; Y140-W201 AromaticContact CD1-CG 3.72Å; Y140-W201 HydrophobicContact CD1-CG 3.72Å; Y140-W201 HydrophobicContact CD1-CZ2 4.4Å; Y140-W201 HydrophobicContact CD1-CZ3 4.31Å; Y140-W201 HydrophobicContact CD2-CB 4.11Å; Y140-W201 HydrophobicContact CD2-CD2 4.35Å; Y140-W201 HydrophobicContact CD2-CE3 4.19Å; Y140-W201 HydrophobicContact CD2-CG 4.35Å; Y140-W201 HydrophobicContact CE1-CB 3.86Å; Y140-W201 AromaticContact CE1-CD1 3.61Å; Y140-W201 AromaticContact CE1-CD2 3.63Å; Y140-W201 HydrophobicContact CE1-CD2 3.63Å; Y140-W201 HydrophobicContact CE1-CE3 4.31Å; Y140-W201 AromaticContact CE1-CG 3.38Å; Y140-W201 HydrophobicContact CE1-CG 3.38Å; Y140-W201 AromaticContact CE1-NE1 3.96Å; Y140-W201 HydrophobicContact CE2-CB 3.64Å; Y140-W201 HydrophobicContact CE2-CG 4.08Å; Y140-W201 HydrophobicContact CG-CB 4.43Å; Y140-W201 AromaticContact CG-CD2 3.8Å; Y140-W201 HydrophobicContact CG-CD2 3.8Å; Y140-W201 AromaticContact CG-CE3 3.6Å; Y140-W201 HydrophobicContact CG-CE3 3.6Å; Y140-W201 HydrophobicContact CG-CG 4.18Å; Y140-W201 HydrophobicContact CG-CZ3 4.25Å; Y140-W201 VanDerWaalsContact CZ-CB 3.48Å; Y140-W201 AromaticContact CZ-CG 3.57Å; Y140-W201 WeakPolarHBondContact OH-CA 3.5Å; Y140-D202 HydrophobicContact CE2-CB 4.45Å; Y140-D202 WeakPolarHBondContact CE2-O 3.49Å; Y140-D202 PolarHBondContact OH-N 2.78Å; Y140-V203 HydrophobicContact CD2-CB 4.18Å; Y140-V203 HydrophobicContact CE2-CB 4.47Å
141	S	96.8	Very high	97.2	Very high	42 Å²	42	39.1 Å²	39.1	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-61.8	-37.5	-178.8	-60.9	0	0	0	0	112.5	A137 N138 C139 R145	A137-S141 WeakPolarHBondContact O-CB 3.4Å; A137-S141 PolarHBondContact O-N 3.11Å; A137-S141 PolarHBondContact O-OG 3.16Å; N138-S141 PolarHBondContact O-N 2.88Å; C139-S141 PolarHBondContact O-N 2.96Å; S141-R145 WeakPolarHBondContact O-CG 3.26Å; S141-R145 PolarHBondContact O-NH1 3.32Å
142	F	97.2	Very high	97.2	Very high	25 Å²	25	36.2 Å²	36.2	11%	0.11	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-48.9	175.2	179.5	-96.7	0	0	0	111	N138 C139 Y140 R144 R145 A146 F345 Q346 P350 Y364	N138-F142 VanDerWaalsContact O-CB 3.22Å; N138-F142 WeakPolarHBondContact O-CB 3.47Å; N138-F142 PolarHBondContact O-N 3.22Å; C139-F142 PolarHBondContact O-N 2.83Å; Y140-F142 VanDerWaalsContact C-N 3.29Å; Y140-F142 PolarHBondContact O-N 3.19Å; F142-R144 PolarHBondContact O-N 2.8Å; F142-R145 PolarHBondContact O-N 3.32Å; F142-R145 VanDerWaalsContact O-N 3.09Å; F142-A146 PolarHBondContact O-N 3.39Å; F142-F345 HydrophobicContact CD1-CD1 4.17Å; F142-F345 HydrophobicContact CD1-CE1 4.05Å; F142-Q346 HydrophobicContact CD1-CG 4.01Å; F142-Q346 HydrophobicContact CD2-CG 3.95Å; F142-Q346 HydrophobicContact CE1-CB 4.32Å; F142-Q346 HydrophobicContact CE1-CG 4.11Å; F142-Q346 HydrophobicContact CE2-CG 4.06Å; F142-Q346 HydrophobicContact CG-CG 3.92Å; F142-Q346 HydrophobicContact CZ-CB 4.24Å; F142-Q346 HydrophobicContact CZ-CG 4.13Å; F142-P350 HydrophobicContact CE1-CG 4.2Å; F142-P350 HydrophobicContact CZ-CG 4Å; F142-Y364 HydrophobicContact CE2-CE1 4.11Å
143	N	97.4	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-43.5	179.9	-161.7	38.4	0	0	0	112.2	M105 C139 Y140 R145 A146 P149 V150 F345	M105-N143 PolarHBondContact SD-ND2 2.87Å; C139-N143 WeakPolarHBondContact O-CB 3.45Å; C139-N143 PolarHBondContact O-N 2.88Å; Y140-N143 PolarHBondContact O-N 3.19Å; N143-R145 PolarHBondContact O-N 3.21Å; N143-R145 VanDerWaalsContact O-N 3.08Å; N143-A146 VanDerWaalsContact O-CB 3.29Å; N143-A146 WeakPolarHBondContact O-CB 3.26Å; N143-A146 PolarHBondContact O-N 2.97Å; N143-P149 WeakPolarHBondContact O-CB 3.33Å; N143-P149 WeakPolarHBondContact O-CG 3.4Å; N143-P149 VanDerWaalsContact OD1-CA 3.3Å; N143-P149 WeakPolarHBondContact OD1-CA 3.46Å; N143-V150 PolarHBondContact ND2-O 3.08Å; N143-V150 WeakPolarHBondContact OD1-CG2 3.41Å; N143-V150 PolarHBondContact OD1-N 2.85Å; N143-F345 HydrophobicContact CB-CE1 3.98Å; N143-F345 HydrophobicContact CB-CZ 3.92Å
144	R	95.5	Very high	97.3	Very high	46 Å²	46	37.7 Å²	37.7	17%	0.174	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-13.2	177.7	-69.6	-57.1	-53.2	-74.3	8.4	114.8	R102 Y140 F142 D202	R102-R144 WeakPolarHBondContact CD-O 3.43Å; R102-R144 PolarHBondContact O-NH2 3Å; Y140-R144 HydrophobicContact CD2-CG 3.84Å; Y140-R144 HydrophobicContact CE1-CG 4.26Å; Y140-R144 HydrophobicContact CE2-CG 3.33Å; Y140-R144 HydrophobicContact CG-CG 4.48Å; Y140-R144 WeakPolarHBondContact O-CG 3.39Å; Y140-R144 PolarHBondContact O-N 3.39Å; Y140-R144 PolarHBondContact OH-NH1 2.65Å; F142-R144 PolarHBondContact O-N 2.8Å; R144-D202 IonicContact CZ-OD2 3.79Å; R144-D202 IonicContact NE-OD2 3.64Å
145	R	94.8	Very high	97.3	Very high	150 Å²	150	33.1 Å²	33.1	57%	0.566	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-9.2	174.3	-67	-174.7	-59.7	-95.9	2.8	112.8	S141 F142 N143	S141-R145 WeakPolarHBondContact O-CG 3.26Å; S141-R145 PolarHBondContact O-NH1 3.32Å; F142-R145 PolarHBondContact O-N 3.32Å; F142-R145 VanDerWaalsContact O-N 3.09Å; N143-R145 PolarHBondContact O-N 3.21Å; N143-R145 VanDerWaalsContact O-N 3.08Å
146	A	94.5	Very high	97.2	Very high	26 Å²	26	32.1 Å²	32.1	22%	0.215	15%	0.151	C	C	.	.	S	Bend	trans	-67.7	149.6	176.9	0	0	0	0	0	110.3	F142 N143 Y148	F142-A146 PolarHBondContact O-N 3.39Å; N143-A146 VanDerWaalsContact O-CB 3.29Å; N143-A146 WeakPolarHBondContact O-CB 3.26Å; N143-A146 PolarHBondContact O-N 2.97Å; A146-Y148 VanDerWaalsContact C-N 3.28Å; A146-Y148 PolarHBondContact O-N 2.94Å
147	K	93.5	Very high	97	Very high	138 Å²	138	32.3 Å²	32.3	60%	0.6	15%	0.152	S	C	*	.	S	Bend	trans	-62.2	-39.3	174.6	-171	-178.7	-177.4	-167.2	0	111.4	L103	L103-K147 WeakPolarHBondContact CD1-O 3.42Å
148	Y	95.7	Very high	96.5	Very high	64 Å²	64	32.8 Å²	32.8	25%	0.251	16%	0.159	S	C	.	.	S	Bend	trans	-128.5	87.2	175.9	-51.2	-60.6	0	0	0	108.1	S108 L109 A146 N353 T355	S108-Y148 VanDerWaalsContact OG-C 3.29Å; S108-Y148 WeakPolarHBondContact OG-CA 3.41Å; L109-Y148 HydrophobicContact CB-CD1 4.03Å; L109-Y148 HydrophobicContact CB-CE1 4.38Å; L109-Y148 HydrophobicContact CD1-CD1 4.18Å; L109-Y148 HydrophobicContact CD1-CE1 3.68Å; L109-Y148 HydrophobicContact CG-CD1 4.25Å; L109-Y148 HydrophobicContact CG-CE1 4.22Å; A146-Y148 VanDerWaalsContact C-N 3.28Å; A146-Y148 PolarHBondContact O-N 2.94Å; Y148-N353 VanDerWaalsContact O-CB 3.32Å; Y148-N353 WeakPolarHBondContact O-CB 3.2Å; Y148-N353 PolarHBondContact O-ND2 3.11Å; Y148-T355 HydrophobicContact CD2-CG2 3.91Å; Y148-T355 HydrophobicContact CE2-CG2 4.25Å
149	P	97.4	Very high	95.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	15%	0.154	C	C	.	.			trans	-57.6	138.1	177	-23.2	33.2	0	0	0	111.3	M105 S108 N143	M105-P149 HydrophobicContact CG-CB 4.07Å; S108-P149 WeakPolarHBondContact CB-O 3.44Å; S108-P149 WeakPolarHBondContact OG-CD 3.31Å; S108-P149 PolarHBondContact OG-O 3.48Å; N143-P149 WeakPolarHBondContact O-CB 3.33Å; N143-P149 WeakPolarHBondContact O-CG 3.4Å; N143-P149 VanDerWaalsContact OD1-CA 3.3Å; N143-P149 WeakPolarHBondContact OD1-CA 3.46Å
150	V	98.2	Very high	93.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.188	C	C	.	.			trans	-73.1	162.6	170.1	-60.1	0	0	0	0	110.2	M105 V114 N143 L152 F345 C349 L352	M105-V150 VanDerWaalsContact SD-O 3.36Å; V114-V150 HydrophobicContact CB-CG2 4.03Å; V114-V150 HydrophobicContact CG2-CB 4.06Å; V114-V150 HydrophobicContact CG2-CG1 4.25Å; V114-V150 HydrophobicContact CG2-CG2 3.84Å; N143-V150 PolarHBondContact ND2-O 3.08Å; N143-V150 WeakPolarHBondContact OD1-CG2 3.41Å; N143-V150 PolarHBondContact OD1-N 2.85Å; V150-L152 PolarHBondContact O-N 3.28Å; V150-F345 HydrophobicContact CG2-CE2 4.23Å; V150-F345 HydrophobicContact CG2-CZ 4.06Å; V150-C349 HydrophobicContact CG1-CB 4.11Å; V150-L352 HydrophobicContact CG1-CB 4.43Å
151	Q	98.5	Very high	91.4	Very high	18 Å²	18	45.1 Å²	45.1	8%	0.084	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	93.9	171.4	-53.1	-51.2	-50.4	0	0	109.4	M105 C110 Q111 T112 K113 V114 Y153	M105-Q151 PolarHBondContact O-NE2 3.02Å; M105-Q151 PolarHBondContact O-OE1 3.38Å; C110-Q151 PolarHBondContact O-NE2 3Å; Q111-Q151 WeakPolarHBondContact O-CG 3.48Å; T112-Q151 PolarHBondContact O-N 3.02Å; K113-Q151 WeakPolarHBondContact CA-O 3.32Å; K113-Q151 HydrophobicContact CB-CB 4.45Å; K113-Q151 HydrophobicContact CG-CB 3.97Å; K113-Q151 HydrophobicContact CG-CG 4.49Å; V114-Q151 PolarHBondContact N-O 2.86Å; Q151-Y153 HydrophobicContact CB-CE2 4.04Å; Q151-Y153 WeakPolarHBondContact O-CD2 3.35Å
152	L	98.7	Very high	88.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130	-176.4	178.8	58	0	0	0	111.8	M105 V114 I116 V150 V203 N204 F345	M105-L152 HydrophobicContact CE-CB 4.12Å; M105-L152 HydrophobicContact SD-CB 3.71Å; V114-L152 WeakPolarHBondContact O-CA 3.42Å; I116-L152 HydrophobicContact CD1-CD1 4.16Å; I116-L152 HydrophobicContact CG1-CD1 4.15Å; V150-L152 PolarHBondContact O-N 3.28Å; L152-V203 HydrophobicContact CB-CG2 3.93Å; L152-V203 HydrophobicContact CD2-CG2 3.85Å; L152-V203 HydrophobicContact CG-CG2 3.6Å; L152-V203 VanDerWaalsContact O-CG2 3.32Å; L152-V203 WeakPolarHBondContact O-CG2 3.27Å; L152-N204 PolarHBondContact O-N 3.14Å; L152-N204 VanDerWaalsContact O-N 3.16Å; L152-N204 PolarHBondContact O-ND2 3.41Å; L152-F345 HydrophobicContact CD1-CD2 4.45Å; L152-F345 HydrophobicContact CD1-CE2 3.6Å; L152-F345 HydrophobicContact CD1-CZ 4.08Å; L152-F345 HydrophobicContact CD2-CE2 4.49Å; L152-F345 HydrophobicContact CD2-CZ 4.18Å
153	Y	98.7	Very high	86.3	Confident	35 Å²	35	53.8 Å²	53.8	14%	0.137	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	137.7	172.3	-67.7	-103.9	0	0	0	110.3	K113 V114 V115 I116 Q151 N204 F214	K113-Y153 HydrophobicContact CB-CD2 4.3Å; K113-Y153 HydrophobicContact CB-CE2 4.04Å; K113-Y153 HydrophobicContact CD-CE2 3.82Å; K113-Y153 HydrophobicContact CG-CE2 3.93Å; V114-Y153 PolarHBondContact O-N 3.39Å; V115-Y153 CarbonylContact C-O 3.58Å; V115-Y153 WeakPolarHBondContact CA-O 3.02Å; I116-Y153 PolarHBondContact N-O 3.25Å; Q151-Y153 HydrophobicContact CB-CE2 4.04Å; Q151-Y153 WeakPolarHBondContact O-CD2 3.35Å; Y153-N204 CarbonylContact C-O 3.59Å; Y153-N204 WeakPolarHBondContact CA-O 3.44Å; Y153-N204 HydrophobicContact CD1-CB 3.27Å; Y153-N204 HydrophobicContact CD2-CB 4.45Å; Y153-N204 HydrophobicContact CE1-CB 3.48Å; Y153-N204 VanDerWaalsContact CE1-CB 3.48Å; Y153-N204 VanDerWaalsContact CE1-CG 3.5Å; Y153-N204 HydrophobicContact CG-CB 3.79Å; Y153-N204 VanDerWaalsContact CZ-ND2 3.33Å; Y153-F214 HydrophobicContact CD1-CE2 4.4Å; Y153-F214 AromaticContact CD1-CZ 3.89Å; Y153-F214 HydrophobicContact CD1-CZ 3.89Å; Y153-F214 HydrophobicContact CD2-CZ 4.16Å; Y153-F214 AromaticContact CE1-CZ 3.8Å; Y153-F214 HydrophobicContact CE1-CZ 3.8Å; Y153-F214 HydrophobicContact CE2-CZ 4.08Å; Y153-F214 HydrophobicContact CG-CE2 4.48Å; Y153-F214 HydrophobicContact CG-CZ 4.1Å; Y153-F214 AromaticContact CZ-CZ 3.9Å
154	I	98.5	Very high	83.6	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	110	172	-57.4	164.4	0	0	0	106.1	V136 L157 L193 W201 V203 N204 L205 C206	V136-I154 HydrophobicContact CG1-CD1 3.39Å; V136-I154 HydrophobicContact CG1-CG1 3.98Å; V136-I154 HydrophobicContact CG1-CG2 4.23Å; I154-L157 HydrophobicContact CG2-CD1 4Å; I154-L157 HydrophobicContact CG2-CD2 3.98Å; I154-L157 HydrophobicContact CG2-CG 4.19Å; I154-L193 HydrophobicContact CG2-CD1 4.39Å; I154-W201 HydrophobicContact CD1-CZ3 4.38Å; I154-V203 HydrophobicContact CD1-CG1 4.23Å; I154-V203 HydrophobicContact CD1-CG2 3.92Å; I154-V203 HydrophobicContact CG1-CG2 4.17Å; I154-N204 PolarHBondContact N-O 3.17Å; I154-L205 HydrophobicContact CB-CD2 3.95Å; I154-L205 HydrophobicContact CD1-CD2 3.71Å; I154-L205 HydrophobicContact CG1-CD2 4.35Å; I154-L205 HydrophobicContact CG2-CD2 4.48Å; I154-C206 PolarHBondContact O-N 3.47Å
155	T	98.1	Very high	81	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	163.6	-167.2	64.3	0	0	0	0	111.7	V115 I116 C118 C206 F210 L213	V115-T155 HydrophobicContact CG1-CG2 3.77Å; V115-T155 WeakPolarHBondContact CG1-OG1 3.13Å; I116-T155 PolarHBondContact O-N 3.43Å; I116-T155 PolarHBondContact O-OG1 2.92Å; C118-T155 WeakPolarHBondContact CA-O 3.43Å; C118-T155 VanDerWaalsContact CB-O 3.23Å; C118-T155 WeakPolarHBondContact CB-O 3.3Å; C118-T155 PolarHBondContact N-O 3.01Å; T155-C206 CarbonylContact C-O 3.47Å; T155-C206 WeakPolarHBondContact CA-O 3.48Å; T155-C206 HydrophobicContact CG2-CB 4.06Å; T155-F210 HydrophobicContact CG2-CB 4.14Å; T155-L213 HydrophobicContact CG2-CD1 3.79Å
156	G	96.1	Very high	78.4	Confident	10 Å²	10	62.6 Å²	62.6	10%	0.103	32%	0.324	C	S	.	.			trans	73.7	28.6	-179.5	0	0	0	0	0	113.5	G158 C206 E207 D208	G156-G158 VanDerWaalsContact C-N 3.26Å; G156-C206 PolarHBondContact N-O 2.63Å; G156-E207 CarbonylContact C-O 3.59Å; G156-E207 WeakPolarHBondContact CA-O 3.42Å; G156-D208 PolarHBondContact N-O 3.12Å
157	L	94.6	Very high	75.9	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	34%	0.342	C	S	.	.			trans	-80.8	-5	178.2	-62.9	173.8	0	0	0	113.5	C118 I154 L189 Y190 L193 L205 C206 E207	C118-L157 HydrophobicContact CB-CD2 4.19Å; I154-L157 HydrophobicContact CG2-CD1 4Å; I154-L157 HydrophobicContact CG2-CD2 3.98Å; I154-L157 HydrophobicContact CG2-CG 4.19Å; L157-L189 HydrophobicContact CD2-CD2 4.22Å; L157-Y190 HydrophobicContact CB-CD2 4.35Å; L157-Y190 HydrophobicContact CB-CG 4.16Å; L157-Y190 HydrophobicContact CD1-CD2 3.97Å; L157-Y190 HydrophobicContact CD1-CE2 4.24Å; L157-Y190 HydrophobicContact CD2-CD2 4.41Å; L157-Y190 HydrophobicContact CG-CD2 4.49Å; L157-L193 HydrophobicContact CD2-CD1 3.93Å; L157-L205 HydrophobicContact CD1-CB 4.11Å; L157-L205 HydrophobicContact CD1-CD2 4.02Å; L157-C206 WeakPolarHBondContact CB-O 3.15Å; L157-C206 PolarHBondContact N-O 3.39Å; L157-C206 VanDerWaalsContact N-O 3.15Å; L157-E207 PolarHBondContact N-O 3.1Å
158	G	87.4	Confident	73.2	Confident	23 Å²	23	66.4 Å²	66.4	24%	0.237	35%	0.346	C	S	.	.	S	Bend	trans	-72	158.6	-178.4	0	0	0	0	0	113.7	G156 R160 E207	G156-G158 VanDerWaalsContact C-N 3.26Å; G158-R160 PolarHBondContact O-N 3.35Å; G158-E207 WeakPolarHBondContact CA-O 3.37Å; G158-E207 PolarHBondContact N-O 3.1Å
159	S	75.3	Confident	70.6	Confident	47 Å²	47	70.2 Å²	70.2	33%	0.329	37%	0.371	S	S	.	.			trans	-79.4	99.7	175.1	-175.7	0	0	0	0	110.3	N161 T162	S159-N161 VanDerWaalsContact C-N 3.26Å; S159-N161 PolarHBondContact O-N 2.89Å; S159-T162 WeakPolarHBondContact OG-CG2 3.22Å; S159-T162 PolarHBondContact OG-N 3.22Å; S159-T162 PolarHBondContact OG-OG1 3.03Å
160	R	61.4	Low	67.8	Low	190 Å²	190	79.6 Å²	79.6	72%	0.717	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.7	172.6	-83.9	-179.7	105.2	149.4	2	114.2	G158	G158-R160 PolarHBondContact O-N 3.35Å
161	N	50.8	Low	64.9	Low	128 Å²	128	86.1 Å²	86.1	68%	0.684	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.1	31.8	-172.9	-69.7	-8.9	0	0	0	114.9	S159 I163	S159-N161 VanDerWaalsContact C-N 3.26Å; S159-N161 PolarHBondContact O-N 2.89Å; N161-I163 VanDerWaalsContact C-N 3.26Å
162	T	43.5	Very low	62.1	Low	117 Å²	117	92.2 Å²	92.2	72%	0.718	48%	0.478	S	S	*	.			trans	-99.3	48	154.3	47	0	0	0	0	109.6	S159	S159-T162 WeakPolarHBondContact OG-CG2 3.22Å; S159-T162 PolarHBondContact OG-N 3.22Å; S159-T162 PolarHBondContact OG-OG1 3.03Å
163	I	43.7	Very low	59.2	Low	132 Å²	132	97.6 Å²	97.6	68%	0.677	52%	0.516	S	S	*	.			trans	-87.7	108.1	161.8	-60.7	175.2	0	0	0	104.9	N161	N161-I163 VanDerWaalsContact C-N 3.26Å
164	E	40.6	Very low	56.2	Low	130 Å²	130	101.6 Å²	101.6	61%	0.607	54%	0.544	S	S	*	.			trans	62	75.4	154.8	-58.9	-178.1	-167.3	0	0	118.6	N166 I167	E164-N166 VanDerWaalsContact C-N 3.3Å; E164-I167 HydrophobicContact CB-CG1 4.36Å
165	T	40.5	Very low	53.3	Low	95 Å²	95	108.7 Å²	108.7	58%	0.583	58%	0.582	S	S	*	*	S	Bend	trans	-102.3	34.5	134.2	65.4	0	0	0	0	111.1	K183	T165-K183 PolarHBondContact OG1-NZ 3.43Å
166	N	40.1	Very low	50.4	Low	157 Å²	157	116.7 Å²	116.7	84%	0.84	63%	0.625	S	S	*	*			trans	-100	9.7	165.7	-84.1	-10.1	0	0	0	111.9	E164 N168	E164-N166 VanDerWaalsContact C-N 3.3Å; N166-N168 PolarHBondContact O-N 3.25Å; N166-N168 VanDerWaalsContact O-N 3.1Å
167	I	42.5	Very low	48	Very low	116 Å²	116	124.1 Å²	124.1	60%	0.595	66%	0.662	S	S	*	*	S	Bend	trans	-78	96.6	165.3	-58.8	177.3	0	0	0	107.3	E164	E164-I167 HydrophobicContact CB-CG1 4.36Å
168	N	35.9	Very low	45.7	Very low	127 Å²	127	130.9 Å²	130.9	68%	0.679	70%	0.698	S	S	*	*			trans	66.2	53.3	154.9	-57.9	-18.1	0	0	0	118.7	N166 K170	N166-N168 PolarHBondContact O-N 3.25Å; N166-N168 VanDerWaalsContact O-N 3.1Å; N168-K170 PolarHBondContact O-N 3.41Å
169	D	41.7	Very low	43.5	Very low	145 Å²	145	136.9 Å²	136.9	78%	0.775	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	67.5	147.2	-74.1	-27.4	0	0	0	108.4
170	K	39.8	Very low	42.1	Very low	197 Å²	197	139.7 Å²	139.7	86%	0.857	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.1	0.8	163.7	-108.2	-170.5	-177.9	179.5	0	113.2	N168	N168-K170 PolarHBondContact O-N 3.41Å
171	D	35.6	Very low	41.4	Very low	138 Å²	138	137.1 Å²	137.1	74%	0.738	75%	0.748	S	S	*	*	S	Bend	trans	-111.1	134.8	176.8	-71.2	-33.7	0	0	0	111.2
172	I	40.7	Very low	41.1	Very low	145 Å²	145	137.2 Å²	137.2	74%	0.744	75%	0.749	S	S	*	*			trans	90.3	77.9	165.7	-47.1	172	0	0	0	115	T174	I172-T174 WeakPolarHBondContact CG2-OG1 3.46Å; I172-T174 PolarHBondContact O-N 2.96Å
173	S	37.4	Very low	41.4	Very low	114 Å²	114	138.2 Å²	138.2	80%	0.797	74%	0.743	S	S	*	*				-50.1	110.3	128.3	57.1	0	0	0	0	110.6
174	T	35.6	Very low	41.6	Very low	118 Å²	118	137.8 Å²	137.8	72%	0.724	75%	0.75	S	S	*	*			trans	-175.2	141.5	137.1	11.3	0	0	0	0	109.8	I172 D176	I172-T174 WeakPolarHBondContact CG2-OG1 3.46Å; I172-T174 PolarHBondContact O-N 2.96Å; T174-D176 PolarHBondContact O-N 3.08Å
175	N	37.5	Very low	42.6	Very low	149 Å²	149	140 Å²	140	80%	0.797	76%	0.758	S	S	*	*			trans	-47.1	119.7	-178.5	-61	-54.6	0	0	0	113.1
176	D	38.6	Very low	44.2	Very low	168 Å²	168	140 Å²	140	90%	0.898	76%	0.762	S	S	*	*			trans	-149.9	89.3	150.2	-89.8	-31.6	0	0	0	110.1	T174 L178	T174-D176 PolarHBondContact O-N 3.08Å; D176-L178 VanDerWaalsContact C-N 3.34Å; D176-L178 PolarHBondContact O-N 3.09Å; D176-L178 VanDerWaalsContact O-N 3.17Å
177	N	45.9	Very low	46.1	Very low	167 Å²	167	136 Å²	136	89%	0.893	74%	0.739	S	S	*	*			trans	-76.3	79.3	165.7	-86.3	-32.1	0	0	0	109.7
178	L	44.5	Very low	48.3	Very low	145 Å²	145	133.9 Å²	133.9	76%	0.759	72%	0.724	S	S	*	*	S	Bend	trans	-168.5	114.3	150.6	-147.1	62.3	0	0	0	110.9	D176	D176-L178 VanDerWaalsContact C-N 3.34Å; D176-L178 PolarHBondContact O-N 3.09Å; D176-L178 VanDerWaalsContact O-N 3.17Å
179	L	42.3	Very low	51.1	Low	149 Å²	149	127.9 Å²	127.9	78%	0.78	69%	0.692	S	S	*	*			trans	59.2	63	161.4	-59.2	157.6	0	0	0	114	V181	L179-V181 VanDerWaalsContact C-N 3.27Å; L179-V181 PolarHBondContact O-N 3.09Å
180	S	45.8	Very low	53.6	Low	106 Å²	106	122.4 Å²	122.4	74%	0.741	66%	0.661	S	S	*	*			trans	-57.3	109	146.3	65.7	0	0	0	0	105.2	D182	S180-D182 PolarHBondContact O-N 2.97Å
181	V	45.8	Very low	56.1	Low	136 Å²	136	115.7 Å²	115.7	82%	0.824	63%	0.634	S	S	*	*			trans	-58.7	96.3	172.1	174.7	0	0	0	0	104.2	L179 K183	L179-V181 VanDerWaalsContact C-N 3.27Å; L179-V181 PolarHBondContact O-N 3.09Å; V181-K183 PolarHBondContact O-N 2.82Å
182	D	45.9	Very low	58.9	Low	130 Å²	130	112.8 Å²	112.8	70%	0.695	61%	0.613	S	S	*	*			trans	-41	110.2	178.8	-99.5	-33.9	0	0	0	106.5	S180 C184	S180-D182 PolarHBondContact O-N 2.97Å; D182-C184 WeakPolarHBondContact O-CA 3.47Å; D182-C184 PolarHBondContact O-N 3.35Å
183	K	49.7	Very low	61.5	Low	139 Å²	139	105.9 Å²	105.9	60%	0.604	58%	0.577	S	S	*	*			trans	-37	108.5	166.9	-88.3	172.9	175.7	166.4	0	104.9	T165 V181 K185	T165-K183 PolarHBondContact OG1-NZ 3.43Å; V181-K183 PolarHBondContact O-N 2.82Å; K183-K185 VanDerWaalsContact C-N 3.3Å; K183-K185 PolarHBondContact O-N 2.81Å
184	C	46.9	Very low	64.2	Low	122 Å²	122	104.9 Å²	104.9	82%	0.824	56%	0.559	S	S	*	*			trans	-54.2	101.4	-172.3	-177.9	0	0	0	0	106.3	D182 S186	D182-C184 WeakPolarHBondContact O-CA 3.47Å; D182-C184 PolarHBondContact O-N 3.35Å; C184-S186 PolarHBondContact O-N 3.07Å
185	K	62.5	Low	67	Low	178 Å²	178	105 Å²	105	77%	0.774	56%	0.555	S	S	*	*			trans	-58	112.4	-175.6	-75.3	178.2	-179.6	172.9	0	104.6	K183 I187	K183-K185 VanDerWaalsContact C-N 3.3Å; K183-K185 PolarHBondContact O-N 2.81Å; K185-I187 PolarHBondContact O-N 3.02Å
186	S	72.7	Confident	69.5	Low	95 Å²	95	100.8 Å²	100.8	66%	0.664	54%	0.536	S	S	*	.			trans	-49.5	114.6	-179.5	-179.6	0	0	0	0	107.2	C184 R188	C184-S186 PolarHBondContact O-N 3.07Å; S186-R188 PolarHBondContact O-N 3.1Å
187	I	79.9	Confident	72.1	Confident	71 Å²	71	97.3 Å²	97.3	36%	0.364	52%	0.517	S	S	.	.			trans	-71.8	121.4	-175.5	-59.7	174.6	0	0	0	107.1	F126 I129 K185 R192	F126-I187 HydrophobicContact CD2-CB 4.01Å; F126-I187 HydrophobicContact CD2-CD1 3.36Å; F126-I187 HydrophobicContact CD2-CG1 4.27Å; F126-I187 HydrophobicContact CD2-CG2 3.8Å; F126-I187 HydrophobicContact CE2-CB 4.41Å; F126-I187 HydrophobicContact CE2-CD1 3.46Å; F126-I187 VanDerWaalsContact CE2-CD1 3.46Å; F126-I187 HydrophobicContact CE2-CG1 4.49Å; F126-I187 HydrophobicContact CE2-CG2 3.81Å; F126-I187 HydrophobicContact CG-CD1 4.15Å; F126-I187 HydrophobicContact CZ-CD1 4.3Å; I129-I187 VanDerWaalsContact CD1-O 3.29Å; I129-I187 WeakPolarHBondContact CD1-O 3.4Å; K185-I187 PolarHBondContact O-N 3.02Å; I187-R192 HydrophobicContact CG2-CG 4.37Å
188	R	89.1	Confident	74.4	Confident	72 Å²	72	89.4 Å²	89.4	27%	0.272	48%	0.475	S	S	.	.			trans	-96.2	157	-178.1	-57.5	172.7	-63.5	170.8	4.6	111.5	D121 S186 Y190 D191 R192	D121-R188 WeakPolarHBondContact OD2-CA 3.4Å; D121-R188 WeakPolarHBondContact OD2-CB 3.27Å; S186-R188 PolarHBondContact O-N 3.1Å; R188-Y190 PolarHBondContact O-N 2.99Å; R188-D191 WeakPolarHBondContact CB-OD2 3.31Å; R188-D191 IonicContact CZ-OD1 2.74Å; R188-D191 IonicContact CZ-OD2 3.64Å; R188-D191 PolarHBondContact N-OD2 3Å; R188-D191 IonicContact NE-OD1 3.06Å; R188-D191 IonicContact NE-OD2 2.71Å; R188-D191 PolarHBondContact NE-OD2 2.96Å; R188-D191 IonicContact NH2-OD1 3.79Å; R188-D191 PolarHBondContact NH2-OD1 2.93Å; R188-D191 IonicContact NH2-OD2 2.83Å; R188-D191 PolarHBondContact O-N 3.35Å; R188-R192 PolarHBondContact O-N 3.21Å
189	L	94.7	Very high	76.7	Confident	1 Å²	1	87.1 Å²	87.1	1%	0.005	46%	0.463	C	S	.	.	H	α-helix	trans	-56.7	-40.9	169.8	-177.4	73.7	0	0	0	111.1	C118 D121 I129 L132 A133 L157 D191 R192 L193	C118-L189 HydrophobicContact CB-CD2 3.38Å; C118-L189 WeakPolarHBondContact SG-CD2 3.32Å; D121-L189 WeakPolarHBondContact OD1-CB 3.29Å; D121-L189 PolarHBondContact OD1-N 3.38Å; D121-L189 PolarHBondContact OD2-N 3.39Å; I129-L189 HydrophobicContact CG2-CB 4.12Å; I129-L189 HydrophobicContact CG2-CD1 4.08Å; I129-L189 WeakPolarHBondContact O-CD1 3.44Å; L132-L189 HydrophobicContact CB-CD1 3.88Å; L132-L189 HydrophobicContact CD2-CD1 3.88Å; L132-L189 HydrophobicContact CD2-CD2 3.75Å; L132-L189 HydrophobicContact CD2-CG 4.41Å; L132-L189 HydrophobicContact CG-CD1 3.81Å; L132-L189 HydrophobicContact CG-CD2 4.15Å; A133-L189 HydrophobicContact CB-CD1 3.8Å; L157-L189 HydrophobicContact CD2-CD2 4.22Å; L189-D191 VanDerWaalsContact C-N 3.31Å; L189-D191 PolarHBondContact O-N 3.29Å; L189-R192 CarbonylContact O-C 3.58Å; L189-R192 WeakPolarHBondContact O-CA 3.49Å; L189-R192 VanDerWaalsContact O-CB 3.31Å; L189-R192 WeakPolarHBondContact O-CB 3.42Å; L189-R192 PolarHBondContact O-N 3.35Å; L189-L193 HydrophobicContact CD2-CD1 4.39Å; L189-L193 HydrophobicContact CG-CD1 4.24Å; L189-L193 HydrophobicContact CG-CG 4.37Å; L189-L193 PolarHBondContact O-N 2.91Å
190	Y	94.5	Very high	79.1	Confident	31 Å²	31	83.8 Å²	83.8	12%	0.122	45%	0.453	C	S	.	.	H	α-helix	trans	-61.6	-39.9	-178.6	-169.7	-145.8	0	0	0	112.4	L157 R188 R192 L193 K194 D199 L205	L157-Y190 HydrophobicContact CB-CD2 4.35Å; L157-Y190 HydrophobicContact CB-CG 4.16Å; L157-Y190 HydrophobicContact CD1-CD2 3.97Å; L157-Y190 HydrophobicContact CD1-CE2 4.24Å; L157-Y190 HydrophobicContact CD2-CD2 4.41Å; L157-Y190 HydrophobicContact CG-CD2 4.49Å; R188-Y190 PolarHBondContact O-N 2.99Å; Y190-R192 PolarHBondContact O-N 3.13Å; Y190-L193 PolarHBondContact O-N 3.13Å; Y190-L193 VanDerWaalsContact O-N 3.11Å; Y190-K194 HydrophobicContact CD2-CG 4.5Å; Y190-K194 VanDerWaalsContact CE1-CE 3.43Å; Y190-K194 HydrophobicContact CE2-CG 4.34Å; Y190-K194 VanDerWaalsContact CZ-CE 3.41Å; Y190-K194 WeakPolarHBondContact O-CG 3.33Å; Y190-K194 PolarHBondContact O-N 2.8Å; Y190-D199 PolarHBondContact OH-OD1 3.43Å; Y190-L205 HydrophobicContact CE2-CD1 4.43Å
191	D	93.1	Very high	81.6	Confident	55 Å²	55	80.5 Å²	80.5	29%	0.294	42%	0.424	S	S	.	.	H	α-helix	trans	-62.7	-33.1	175.4	-56	-43.3	0	0	0	111.3	R188 L189	R188-D191 WeakPolarHBondContact CB-OD2 3.31Å; R188-D191 IonicContact CZ-OD1 2.74Å; R188-D191 IonicContact CZ-OD2 3.64Å; R188-D191 PolarHBondContact N-OD2 3Å; R188-D191 IonicContact NE-OD1 3.06Å; R188-D191 IonicContact NE-OD2 2.71Å; R188-D191 PolarHBondContact NE-OD2 2.96Å; R188-D191 IonicContact NH2-OD1 3.79Å; R188-D191 PolarHBondContact NH2-OD1 2.93Å; R188-D191 IonicContact NH2-OD2 2.83Å; R188-D191 PolarHBondContact O-N 3.35Å; L189-D191 VanDerWaalsContact C-N 3.31Å; L189-D191 PolarHBondContact O-N 3.29Å
192	R	94.5	Very high	83.9	Confident	77 Å²	77	75.9 Å²	75.9	29%	0.291	40%	0.395	S	S	.	.	H	α-helix	trans	-71.5	-37.7	173.7	-62.9	-54.5	-52.7	-175.1	2.9	112.8	I129 A133 I187 R188 L189 Y190 L195	I129-R192 HydrophobicContact CG2-CG 3.93Å; A133-R192 HydrophobicContact CB-CB 3.6Å; I187-R192 HydrophobicContact CG2-CG 4.37Å; R188-R192 PolarHBondContact O-N 3.21Å; L189-R192 CarbonylContact O-C 3.58Å; L189-R192 WeakPolarHBondContact O-CA 3.49Å; L189-R192 VanDerWaalsContact O-CB 3.31Å; L189-R192 WeakPolarHBondContact O-CB 3.42Å; L189-R192 PolarHBondContact O-N 3.35Å; Y190-R192 PolarHBondContact O-N 3.13Å; R192-L195 VanDerWaalsContact CZ-CD1 3.48Å; R192-L195 WeakPolarHBondContact O-CB 3.36Å; R192-L195 PolarHBondContact O-N 3Å
193	L	95.5	Very high	86.3	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-68.6	-36.3	177	-68.8	175.7	0	0	0	111.8	A133 V136 I154 L157 L189 Y190 L195 C196 C198 W201	A133-L193 HydrophobicContact CB-CD2 4.21Å; V136-L193 HydrophobicContact CB-CD2 4.11Å; V136-L193 HydrophobicContact CG1-CD1 4.3Å; V136-L193 HydrophobicContact CG1-CD2 3.89Å; I154-L193 HydrophobicContact CG2-CD1 4.39Å; L157-L193 HydrophobicContact CD2-CD1 3.93Å; L189-L193 HydrophobicContact CD2-CD1 4.39Å; L189-L193 HydrophobicContact CG-CD1 4.24Å; L189-L193 HydrophobicContact CG-CG 4.37Å; L189-L193 PolarHBondContact O-N 2.91Å; Y190-L193 PolarHBondContact O-N 3.13Å; Y190-L193 VanDerWaalsContact O-N 3.11Å; L193-L195 PolarHBondContact O-N 2.79Å; L193-C196 CarbonylContact O-C 3.55Å; L193-C196 WeakPolarHBondContact O-CA 3.41Å; L193-C196 WeakPolarHBondContact O-CB 3.39Å; L193-C196 PolarHBondContact O-N 2.71Å; L193-C198 HydrophobicContact CB-CB 3.91Å; L193-C198 PolarHBondContact O-N 3.1Å; L193-W201 HydrophobicContact CD2-CH2 4.06Å; L193-W201 HydrophobicContact CD2-CZ3 4.33Å
194	K	94.1	Very high	88.6	Confident	94 Å²	94	66.9 Å²	66.9	41%	0.409	35%	0.354	S	S	.	.	H	α-helix	trans	-58.9	-32.1	174.7	-75.6	-172.7	175.4	-171.2	0	113.2	Y190 C196 N197	Y190-K194 HydrophobicContact CD2-CG 4.5Å; Y190-K194 VanDerWaalsContact CE1-CE 3.43Å; Y190-K194 HydrophobicContact CE2-CG 4.34Å; Y190-K194 VanDerWaalsContact CZ-CE 3.41Å; Y190-K194 WeakPolarHBondContact O-CG 3.33Å; Y190-K194 PolarHBondContact O-N 2.8Å; K194-C196 PolarHBondContact O-N 3.29Å; K194-N197 PolarHBondContact O-N 3.3Å
195	L	93	Very high	91	Very high	121 Å²	121	63.4 Å²	63.4	63%	0.634	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.4	173.4	-61.8	175.9	0	0	0	113.4	R192 L193	R192-L195 VanDerWaalsContact CZ-CD1 3.48Å; R192-L195 WeakPolarHBondContact O-CB 3.36Å; R192-L195 PolarHBondContact O-N 3Å; L193-L195 PolarHBondContact O-N 2.79Å
196	C	91.3	Very high	92.5	Very high	59 Å²	59	55.9 Å²	55.9	40%	0.399	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	13.6	174.6	-60.6	0	0	0	0	112.7	L193 K194 C198 W201	L193-C196 CarbonylContact O-C 3.55Å; L193-C196 WeakPolarHBondContact O-CA 3.41Å; L193-C196 WeakPolarHBondContact O-CB 3.39Å; L193-C196 PolarHBondContact O-N 2.71Å; K194-C196 PolarHBondContact O-N 3.29Å; C196-C198 VanDerWaalsContact C-N 3.34Å; C196-C198 PolarHBondContact O-N 3.33Å; C196-W201 HydrophobicContact CB-CH2 4.46Å; C196-W201 HydrophobicContact CB-CZ2 3.75Å; C196-W201 PolarHBondContact O-NE1 2.83Å
197	N	92.8	Very high	93.5	Very high	96 Å²	96	57.4 Å²	57.4	51%	0.513	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	46.5	-177.6	-157.7	50	0	0	0	112.4	K194 D199 S200 W201	K194-N197 PolarHBondContact O-N 3.3Å; N197-D199 PolarHBondContact O-N 2.93Å; N197-S200 VanDerWaalsContact ND2-CB 3.27Å; N197-S200 WeakPolarHBondContact ND2-CB 3.44Å; N197-S200 PolarHBondContact ND2-OG 3.26Å; N197-S200 PolarHBondContact O-N 2.83Å; N197-S200 VanDerWaalsContact O-N 3.11Å; N197-S200 PolarHBondContact O-OG 3.46Å; N197-S200 VanDerWaalsContact O-OG 3.13Å; N197-W201 VanDerWaalsContact O-CD1 3.29Å; N197-W201 PolarHBondContact O-NE1 2.87Å
198	C	94.3	Very high	94.2	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-58.2	-27.1	-179	61.2	0	0	0	0	113.6	L193 C196 S200 W201 L205	L193-C198 HydrophobicContact CB-CB 3.91Å; L193-C198 PolarHBondContact O-N 3.1Å; C196-C198 VanDerWaalsContact C-N 3.34Å; C196-C198 PolarHBondContact O-N 3.33Å; C198-S200 PolarHBondContact O-N 3.09Å; C198-S200 VanDerWaalsContact O-N 3.14Å; C198-W201 HydrophobicContact CB-CD2 4Å; C198-W201 HydrophobicContact CB-CE3 4.06Å; C198-W201 HydrophobicContact CB-CG 4.5Å; C198-W201 HydrophobicContact CB-CH2 4.27Å; C198-W201 HydrophobicContact CB-CZ2 4.25Å; C198-W201 HydrophobicContact CB-CZ3 4.19Å; C198-W201 WeakPolarHBondContact O-CB 3.33Å; C198-W201 PolarHBondContact O-N 3.5Å; C198-L205 HydrophobicContact CB-CD1 4.11Å
199	D	92.5	Very high	94.5	Very high	98 Å²	98	55.8 Å²	55.8	52%	0.524	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-64.9	-18.6	179.8	-54.8	-21	0	0	0	112.4	Y190 N197	Y190-D199 PolarHBondContact OH-OD1 3.43Å; N197-D199 PolarHBondContact O-N 2.93Å
200	S	93.4	Very high	94.6	Very high	79 Å²	79	56.2 Å²	56.2	55%	0.552	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-96.9	8.1	172.7	84.2	0	0	0	0	113.5	N197 C198	N197-S200 VanDerWaalsContact ND2-CB 3.27Å; N197-S200 WeakPolarHBondContact ND2-CB 3.44Å; N197-S200 PolarHBondContact ND2-OG 3.26Å; N197-S200 PolarHBondContact O-N 2.83Å; N197-S200 VanDerWaalsContact O-N 3.11Å; N197-S200 PolarHBondContact O-OG 3.46Å; N197-S200 VanDerWaalsContact O-OG 3.13Å; C198-S200 PolarHBondContact O-N 3.09Å; C198-S200 VanDerWaalsContact O-N 3.14Å
201	W	96.7	Very high	94.7	Very high	36 Å²	36	58.5 Å²	58.5	14%	0.136	32%	0.316	C	S	.	.	S	Bend	trans	-80.8	142.1	178.5	-67.3	6.8	0	0	0	109.9	V136 A137 Y140 I154 L193 C196 N197 C198 V203	V136-W201 HydrophobicContact CG1-CZ3 4.4Å; A137-W201 VanDerWaalsContact CA-CH2 3.44Å; A137-W201 HydrophobicContact CB-CH2 3.55Å; A137-W201 HydrophobicContact CB-CZ2 4.04Å; Y140-W201 HydrophobicContact CD1-CB 4.33Å; Y140-W201 AromaticContact CD1-CD2 3.42Å; Y140-W201 HydrophobicContact CD1-CD2 3.42Å; Y140-W201 VanDerWaalsContact CD1-CD2 3.42Å; Y140-W201 AromaticContact CD1-CE2 3.81Å; Y140-W201 AromaticContact CD1-CE3 3.68Å; Y140-W201 HydrophobicContact CD1-CE3 3.68Å; Y140-W201 AromaticContact CD1-CG 3.72Å; Y140-W201 HydrophobicContact CD1-CG 3.72Å; Y140-W201 HydrophobicContact CD1-CZ2 4.4Å; Y140-W201 HydrophobicContact CD1-CZ3 4.31Å; Y140-W201 HydrophobicContact CD2-CB 4.11Å; Y140-W201 HydrophobicContact CD2-CD2 4.35Å; Y140-W201 HydrophobicContact CD2-CE3 4.19Å; Y140-W201 HydrophobicContact CD2-CG 4.35Å; Y140-W201 HydrophobicContact CE1-CB 3.86Å; Y140-W201 AromaticContact CE1-CD1 3.61Å; Y140-W201 AromaticContact CE1-CD2 3.63Å; Y140-W201 HydrophobicContact CE1-CD2 3.63Å; Y140-W201 HydrophobicContact CE1-CE3 4.31Å; Y140-W201 AromaticContact CE1-CG 3.38Å; Y140-W201 HydrophobicContact CE1-CG 3.38Å; Y140-W201 AromaticContact CE1-NE1 3.96Å; Y140-W201 HydrophobicContact CE2-CB 3.64Å; Y140-W201 HydrophobicContact CE2-CG 4.08Å; Y140-W201 HydrophobicContact CG-CB 4.43Å; Y140-W201 AromaticContact CG-CD2 3.8Å; Y140-W201 HydrophobicContact CG-CD2 3.8Å; Y140-W201 AromaticContact CG-CE3 3.6Å; Y140-W201 HydrophobicContact CG-CE3 3.6Å; Y140-W201 HydrophobicContact CG-CG 4.18Å; Y140-W201 HydrophobicContact CG-CZ3 4.25Å; Y140-W201 VanDerWaalsContact CZ-CB 3.48Å; Y140-W201 AromaticContact CZ-CG 3.57Å; Y140-W201 WeakPolarHBondContact OH-CA 3.5Å; I154-W201 HydrophobicContact CD1-CZ3 4.38Å; L193-W201 HydrophobicContact CD2-CH2 4.06Å; L193-W201 HydrophobicContact CD2-CZ3 4.33Å; C196-W201 HydrophobicContact CB-CH2 4.46Å; C196-W201 HydrophobicContact CB-CZ2 3.75Å; C196-W201 PolarHBondContact O-NE1 2.83Å; N197-W201 VanDerWaalsContact O-CD1 3.29Å; N197-W201 PolarHBondContact O-NE1 2.87Å; C198-W201 HydrophobicContact CB-CD2 4Å; C198-W201 HydrophobicContact CB-CE3 4.06Å; C198-W201 HydrophobicContact CB-CG 4.5Å; C198-W201 HydrophobicContact CB-CH2 4.27Å; C198-W201 HydrophobicContact CB-CZ2 4.25Å; C198-W201 HydrophobicContact CB-CZ3 4.19Å; C198-W201 WeakPolarHBondContact O-CB 3.33Å; C198-W201 PolarHBondContact O-N 3.5Å; W201-V203 HydrophobicContact CB-CB 4.37Å; W201-V203 HydrophobicContact CB-CG1 3.64Å; W201-V203 HydrophobicContact CE3-CG1 4.21Å; W201-V203 PolarHBondContact O-N 3.39Å
202	D	95.7	Very high	94.8	Very high	40 Å²	40	63.4 Å²	63.4	21%	0.214	34%	0.335	C	S	.	.	S	Bend	trans	-77.2	77.1	167.9	176.4	41.3	0	0	0	108.1	K104 M105 Y140 R144	K104-D202 WeakPolarHBondContact CA-OD2 3.4Å; M105-D202 WeakPolarHBondContact CE-O 3.34Å; M105-D202 PolarHBondContact N-OD2 3.18Å; M105-D202 VanDerWaalsContact SD-O 3.41Å; Y140-D202 HydrophobicContact CE2-CB 4.45Å; Y140-D202 WeakPolarHBondContact CE2-O 3.49Å; Y140-D202 PolarHBondContact OH-N 2.78Å; R144-D202 IonicContact CZ-OD2 3.79Å; R144-D202 IonicContact NE-OD2 3.64Å
203	V	96.3	Very high	94.9	Very high	20 Å²	20	63.2 Å²	63.2	12%	0.121	34%	0.339	C	S	.	.	S	Bend	trans	-154.7	150.3	-176.8	74.2	0	0	0	0	111.6	M105 Y140 L152 I154 W201 L205	M105-V203 VanDerWaalsContact CE-CA 3.49Å; M105-V203 HydrophobicContact CE-CB 4.28Å; M105-V203 HydrophobicContact CE-CG2 4.33Å; Y140-V203 HydrophobicContact CD2-CB 4.18Å; Y140-V203 HydrophobicContact CE2-CB 4.47Å; L152-V203 HydrophobicContact CB-CG2 3.93Å; L152-V203 HydrophobicContact CD2-CG2 3.85Å; L152-V203 HydrophobicContact CG-CG2 3.6Å; L152-V203 VanDerWaalsContact O-CG2 3.32Å; L152-V203 WeakPolarHBondContact O-CG2 3.27Å; I154-V203 HydrophobicContact CD1-CG1 4.23Å; I154-V203 HydrophobicContact CD1-CG2 3.92Å; I154-V203 HydrophobicContact CG1-CG2 4.17Å; W201-V203 HydrophobicContact CB-CB 4.37Å; W201-V203 HydrophobicContact CB-CG1 3.64Å; W201-V203 HydrophobicContact CE3-CG1 4.21Å; W201-V203 PolarHBondContact O-N 3.39Å; V203-L205 HydrophobicContact CG1-CD2 3.65Å; V203-L205 HydrophobicContact CG1-CG 3.82Å; V203-L205 PolarHBondContact O-N 2.86Å
204	N	96.9	Very high	95	Very high	59 Å²	59	64.4 Å²	64.4	32%	0.316	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	99.9	173.9	-59	-68.3	0	0	0	109.9	L152 Y153 I154	L152-N204 PolarHBondContact O-N 3.14Å; L152-N204 VanDerWaalsContact O-N 3.16Å; L152-N204 PolarHBondContact O-ND2 3.41Å; Y153-N204 CarbonylContact C-O 3.59Å; Y153-N204 WeakPolarHBondContact CA-O 3.44Å; Y153-N204 HydrophobicContact CD1-CB 3.27Å; Y153-N204 HydrophobicContact CD2-CB 4.45Å; Y153-N204 HydrophobicContact CE1-CB 3.48Å; Y153-N204 VanDerWaalsContact CE1-CB 3.48Å; Y153-N204 VanDerWaalsContact CE1-CG 3.5Å; Y153-N204 HydrophobicContact CG-CB 3.79Å; Y153-N204 VanDerWaalsContact CZ-ND2 3.33Å; I154-N204 PolarHBondContact N-O 3.17Å
205	L	96.5	Very high	95.2	Very high	49 Å²	49	63.4 Å²	63.4	26%	0.257	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.7	172.1	-60.1	179	0	0	0	109.6	I154 L157 Y190 C198 V203	I154-L205 HydrophobicContact CB-CD2 3.95Å; I154-L205 HydrophobicContact CD1-CD2 3.71Å; I154-L205 HydrophobicContact CG1-CD2 4.35Å; I154-L205 HydrophobicContact CG2-CD2 4.48Å; L157-L205 HydrophobicContact CD1-CB 4.11Å; L157-L205 HydrophobicContact CD1-CD2 4.02Å; Y190-L205 HydrophobicContact CE2-CD1 4.43Å; C198-L205 HydrophobicContact CB-CD1 4.11Å; V203-L205 HydrophobicContact CG1-CD2 3.65Å; V203-L205 HydrophobicContact CG1-CG 3.82Å; V203-L205 PolarHBondContact O-N 2.86Å
206	C	95.7	Very high	95.3	Very high	21 Å²	21	60.1 Å²	60.1	14%	0.142	34%	0.338	C	S	.	.			trans	-128.7	128.1	-178.7	-51.4	0	0	0	0	111.2	I154 T155 G156 L157 L213	I154-C206 PolarHBondContact O-N 3.47Å; T155-C206 CarbonylContact C-O 3.47Å; T155-C206 WeakPolarHBondContact CA-O 3.48Å; T155-C206 HydrophobicContact CG2-CB 4.06Å; G156-C206 PolarHBondContact N-O 2.63Å; L157-C206 WeakPolarHBondContact CB-O 3.15Å; L157-C206 PolarHBondContact N-O 3.39Å; L157-C206 VanDerWaalsContact N-O 3.15Å; C206-L213 HydrophobicContact CB-CD1 3.84Å
207	E	93.4	Very high	95.5	Very high	127 Å²	127	62.3 Å²	62.3	59%	0.593	35%	0.346	S	S	*	.	S	Bend	trans	-68.8	-41.5	172.8	-64.6	-167.4	176.6	0	0	111.2	G156 L157 G158	G156-E207 CarbonylContact C-O 3.59Å; G156-E207 WeakPolarHBondContact CA-O 3.42Å; L157-E207 PolarHBondContact N-O 3.1Å; G158-E207 WeakPolarHBondContact CA-O 3.37Å; G158-E207 PolarHBondContact N-O 3.1Å
208	D	94.3	Very high	95.6	Very high	82 Å²	82	61.2 Å²	61.2	44%	0.439	34%	0.336	S	S	.	.	S	Bend	trans	-69.3	155.1	175.3	-76.2	-51.2	0	0	0	112.9	G156 K212	G156-D208 PolarHBondContact N-O 3.12Å; D208-K212 HydrophobicContact CB-CB 4.46Å; D208-K212 HydrophobicContact CB-CD 3.98Å; D208-K212 WeakPolarHBondContact OD1-CE 3.35Å; D208-K212 IonicContact OD1-NZ 3.89Å; D208-K212 PolarHBondContact OD1-NZ 3Å; D208-K212 IonicContact OD2-NZ 3.96Å
209	G	94.9	Very high	95.8	Very high	27 Å²	27	61.3 Å²	61.3	28%	0.278	34%	0.337	S	S	.	.			trans	-70	153.5	170.3	0	0	0	0	0	112	T211 K212	G209-T211 PolarHBondContact O-N 2.72Å; G209-K212 PolarHBondContact O-N 2.85Å; G209-K212 VanDerWaalsContact O-N 3.08Å
210	F	97.4	Very high	96.1	Very high	10 Å²	10	56.6 Å²	56.6	4%	0.044	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-56.6	-24.4	-179.1	64.6	-91.7	0	0	0	114.5	V115 D117 T155 K212 L213 F214 I219 Y221 V296 Y319	V115-F210 HydrophobicContact CG1-CB 3.84Å; V115-F210 HydrophobicContact CG1-CD1 4.36Å; V115-F210 HydrophobicContact CG1-CG 4.3Å; D117-F210 HydrophobicContact CB-CD1 3.97Å; D117-F210 HydrophobicContact CB-CE1 3.83Å; D117-F210 WeakPolarHBondContact OD2-CE1 3.46Å; T155-F210 HydrophobicContact CG2-CB 4.14Å; F210-K212 PolarHBondContact O-N 3.33Å; F210-L213 PolarHBondContact O-N 2.93Å; F210-F214 HydrophobicContact CB-CD2 4.16Å; F210-F214 HydrophobicContact CB-CE2 4.47Å; F210-F214 PolarHBondContact O-N 2.92Å; F210-I219 HydrophobicContact CD2-CD1 3.85Å; F210-I219 HydrophobicContact CE2-CD1 3.9Å; F210-I219 HydrophobicContact CE2-CG2 4.03Å; F210-Y221 HydrophobicContact CE1-CE2 4Å; F210-Y221 AromaticContact CZ-CD2 3.96Å; F210-Y221 HydrophobicContact CZ-CD2 3.96Å; F210-Y221 AromaticContact CZ-CE2 3.71Å; F210-Y221 HydrophobicContact CZ-CE2 3.71Å; F210-V296 HydrophobicContact CD1-CG1 4.08Å; F210-V296 HydrophobicContact CD2-CG2 4.02Å; F210-V296 HydrophobicContact CE1-CG1 3.92Å; F210-V296 HydrophobicContact CE2-CG1 4.47Å; F210-V296 HydrophobicContact CE2-CG2 4.15Å; F210-V296 HydrophobicContact CG-CG1 4.46Å; F210-V296 HydrophobicContact CG-CG2 4.35Å; F210-V296 HydrophobicContact CZ-CG1 4.12Å; F210-Y319 HydrophobicContact CE2-CD2 4.38Å; F210-Y319 AromaticContact CE2-CE2 3.81Å; F210-Y319 HydrophobicContact CE2-CE2 3.81Å; F210-Y319 AromaticContact CZ-CE2 3.99Å; F210-Y319 HydrophobicContact CZ-CE2 3.99Å
211	T	96	Very high	96.3	Very high	78 Å²	78	53.1 Å²	53.1	48%	0.479	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-57.2	-29.2	175	-46.6	0	0	0	0	113.4	G209 Y319	G209-T211 PolarHBondContact O-N 2.72Å; T211-Y319 WeakPolarHBondContact CG2-OH 3Å; T211-Y319 PolarHBondContact OG1-OH 3.31Å
212	K	95.6	Very high	96.4	Very high	158 Å²	158	52.2 Å²	52.2	69%	0.687	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-83.3	-18.7	175.7	-66.9	-169.5	-173	171.2	0	113.3	D208 G209 F210	D208-K212 HydrophobicContact CB-CB 4.46Å; D208-K212 HydrophobicContact CB-CD 3.98Å; D208-K212 WeakPolarHBondContact OD1-CE 3.35Å; D208-K212 IonicContact OD1-NZ 3.89Å; D208-K212 PolarHBondContact OD1-NZ 3Å; D208-K212 IonicContact OD2-NZ 3.96Å; G209-K212 PolarHBondContact O-N 2.85Å; G209-K212 VanDerWaalsContact O-N 3.08Å; F210-K212 PolarHBondContact O-N 3.33Å
213	L	96.8	Very high	96.4	Very high	74 Å²	74	50.7 Å²	50.7	39%	0.387	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-30.4	-173.6	-72.9	141.4	0	0	0	112.2	T155 C206 F210	T155-L213 HydrophobicContact CG2-CD1 3.79Å; C206-L213 HydrophobicContact CB-CD1 3.84Å; F210-L213 PolarHBondContact O-N 2.93Å
214	F	97.9	Very high	96.3	Very high	24 Å²	24	52 Å²	52	11%	0.105	29%	0.29	C	S	.	.	S	Bend	trans	-134.2	143.2	-171.5	-52.9	-66.7	0	0	0	111.5	K113 V115 Y153 F210 I219 I294	K113-F214 HydrophobicContact CD-CD1 4.45Å; K113-F214 HydrophobicContact CD-CE1 3.59Å; K113-F214 HydrophobicContact CD-CZ 4.09Å; V115-F214 HydrophobicContact CG2-CD2 4.3Å; V115-F214 HydrophobicContact CG2-CE2 3.7Å; V115-F214 HydrophobicContact CG2-CZ 4.47Å; Y153-F214 HydrophobicContact CD1-CE2 4.4Å; Y153-F214 AromaticContact CD1-CZ 3.89Å; Y153-F214 HydrophobicContact CD1-CZ 3.89Å; Y153-F214 HydrophobicContact CD2-CZ 4.16Å; Y153-F214 AromaticContact CE1-CZ 3.8Å; Y153-F214 HydrophobicContact CE1-CZ 3.8Å; Y153-F214 HydrophobicContact CE2-CZ 4.08Å; Y153-F214 HydrophobicContact CG-CE2 4.48Å; Y153-F214 HydrophobicContact CG-CZ 4.1Å; Y153-F214 AromaticContact CZ-CZ 3.9Å; F210-F214 HydrophobicContact CB-CD2 4.16Å; F210-F214 HydrophobicContact CB-CE2 4.47Å; F210-F214 PolarHBondContact O-N 2.92Å; F214-I219 HydrophobicContact CB-CG1 4.39Å; F214-I294 HydrophobicContact CB-CG1 4.1Å; F214-I294 HydrophobicContact CD1-CD1 3.87Å; F214-I294 HydrophobicContact CD1-CG1 4Å; F214-I294 HydrophobicContact CD1-CG2 4.45Å; F214-I294 HydrophobicContact CD2-CG2 3.78Å; F214-I294 HydrophobicContact CE1-CD1 4.13Å; F214-I294 HydrophobicContact CE2-CG2 4.05Å; F214-I294 HydrophobicContact CG-CD1 4.32Å; F214-I294 HydrophobicContact CG-CG1 3.98Å; F214-I294 HydrophobicContact CG-CG2 3.99Å; F214-I294 HydrophobicContact CZ-CG2 4.5Å
215	P	96.8	Very high	96.2	Very high	74 Å²	74	53.1 Å²	53.1	48%	0.481	29%	0.293	S	S	.	.			trans	-72.1	147.4	178.7	35.3	-38.5	0	0	0	110.6	D217 K218 I219	P215-D217 VanDerWaalsContact C-N 3.3Å; P215-D217 VanDerWaalsContact CB-OD1 3.3Å; P215-D217 WeakPolarHBondContact CB-OD1 3.42Å; P215-D217 PolarHBondContact O-N 2.83Å; P215-K218 HydrophobicContact CG-CB 4.15Å; P215-K218 HydrophobicContact CG-CG 3.78Å; P215-K218 PolarHBondContact O-N 2.88Å; P215-I219 WeakPolarHBondContact O-CG1 3.28Å
216	A	96	Very high	96.1	Very high	52 Å²	52	50.9 Å²	50.9	43%	0.43	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-62.8	-32.3	-168.8	0	0	0	0	0	114.1	K218 I219 Y319	A216-K218 VanDerWaalsContact C-N 3.26Å; A216-K218 PolarHBondContact O-N 3.33Å; A216-I219 PolarHBondContact O-N 2.79Å; A216-Y319 HydrophobicContact CB-CD1 4.25Å; A216-Y319 HydrophobicContact CB-CE1 4.05Å
217	D	94.8	Very high	96	Very high	105 Å²	105	55.9 Å²	55.9	56%	0.561	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-65.7	-26.8	179.4	62.4	-62.3	0	0	0	113.2	P215	P215-D217 VanDerWaalsContact C-N 3.3Å; P215-D217 VanDerWaalsContact CB-OD1 3.3Å; P215-D217 WeakPolarHBondContact CB-OD1 3.42Å; P215-D217 PolarHBondContact O-N 2.83Å
218	K	96.4	Very high	96.1	Very high	73 Å²	73	52.5 Å²	52.5	32%	0.317	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-87.3	-9.7	177.9	-64.1	-66.2	-175.4	173.4	0	113.5	P215 A216 I294	P215-K218 HydrophobicContact CG-CB 4.15Å; P215-K218 HydrophobicContact CG-CG 3.78Å; P215-K218 PolarHBondContact O-N 2.88Å; A216-K218 VanDerWaalsContact C-N 3.26Å; A216-K218 PolarHBondContact O-N 3.33Å; K218-I294 HydrophobicContact CB-CG1 4Å; K218-I294 PolarHBondContact O-N 2.96Å
219	I	98.1	Very high	96.2	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	125.8	-173.3	-65	171.4	0	0	0	110.5	F210 F214 P215 A216 V296 Y319 R320	F210-I219 HydrophobicContact CD2-CD1 3.85Å; F210-I219 HydrophobicContact CE2-CD1 3.9Å; F210-I219 HydrophobicContact CE2-CG2 4.03Å; F214-I219 HydrophobicContact CB-CG1 4.39Å; P215-I219 WeakPolarHBondContact O-CG1 3.28Å; A216-I219 PolarHBondContact O-N 2.79Å; I219-V296 HydrophobicContact CG2-CG2 3.9Å; I219-Y319 HydrophobicContact CB-CD1 4.22Å; I219-Y319 HydrophobicContact CB-CG 4.35Å; I219-Y319 HydrophobicContact CD1-CD1 4.15Å; I219-Y319 HydrophobicContact CD1-CE1 3.88Å; I219-Y319 HydrophobicContact CG2-CD1 4.19Å; I219-Y319 HydrophobicContact CG2-CD2 4.12Å; I219-Y319 HydrophobicContact CG2-CG 3.86Å; I219-R320 WeakPolarHBondContact O-CB 3.45Å; I219-R320 PolarHBondContact O-N 3.38Å
220	V	98.1	Very high	96.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	101.5	171.5	-178.5	0	0	0	0	108.7	L222 F289 D293 I294 Y295 V296 R320 A322	V220-L222 HydrophobicContact CG1-CD2 4.17Å; V220-F289 HydrophobicContact CB-CD1 4.41Å; V220-F289 HydrophobicContact CB-CE1 4.48Å; V220-F289 HydrophobicContact CG1-CD1 3.72Å; V220-F289 HydrophobicContact CG1-CE1 3.59Å; V220-F289 HydrophobicContact CG2-CD1 3.76Å; V220-F289 HydrophobicContact CG2-CE1 4.02Å; V220-D293 HydrophobicContact CG2-CB 3.81Å; V220-I294 PolarHBondContact N-O 3.47Å; V220-Y295 HydrophobicContact CB-CD1 4.02Å; V220-Y295 HydrophobicContact CB-CE1 4.19Å; V220-Y295 HydrophobicContact CG1-CD1 4.01Å; V220-Y295 HydrophobicContact CG1-CE1 4.07Å; V220-Y295 HydrophobicContact CG2-CE1 4.46Å; V220-Y295 WeakPolarHBondContact O-CA 3.46Å; V220-V296 PolarHBondContact O-N 2.76Å; V220-R320 CarbonylContact C-O 3.59Å; V220-R320 WeakPolarHBondContact CA-O 3.36Å; V220-R320 HydrophobicContact CG2-CB 4.38Å; V220-A322 HydrophobicContact CG1-CB 3.79Å
221	Y	98.4	Very high	96	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.02	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	118.1	178.9	-149.1	-63.4	0	0	0	110.7	D117 Y120 F210 C223 V296 G298 C310 A314 R320 T321 A322	D117-Y221 PolarHBondContact OD2-OH 2.95Å; Y120-Y221 PolarHBondContact OH-OH 3.17Å; F210-Y221 HydrophobicContact CE1-CE2 4Å; F210-Y221 AromaticContact CZ-CD2 3.96Å; F210-Y221 HydrophobicContact CZ-CD2 3.96Å; F210-Y221 AromaticContact CZ-CE2 3.71Å; F210-Y221 HydrophobicContact CZ-CE2 3.71Å; Y221-C223 VanDerWaalsContact CD1-SG 3.55Å; Y221-C223 PolarHBondContact O-N 3.07Å; Y221-V296 HydrophobicContact CD2-CB 3.95Å; Y221-V296 HydrophobicContact CD2-CG1 3.76Å; Y221-V296 HydrophobicContact CE2-CB 4.24Å; Y221-V296 HydrophobicContact CE2-CG1 3.52Å; Y221-V296 HydrophobicContact CG-CB 4.22Å; Y221-V296 HydrophobicContact CG-CG1 4.36Å; Y221-G298 VanDerWaalsContact OH-CA 3.31Å; Y221-G298 WeakPolarHBondContact OH-CA 3.42Å; Y221-C310 HydrophobicContact CE1-CB 3.74Å; Y221-A314 HydrophobicContact CD2-CB 4.21Å; Y221-A314 HydrophobicContact CG-CB 3.94Å; Y221-R320 PolarHBondContact N-O 3.17Å; Y221-T321 VanDerWaalsContact O-CA 3.26Å; Y221-T321 WeakPolarHBondContact O-CA 3.4Å; Y221-A322 PolarHBondContact O-N 2.91Å; Y221-A322 VanDerWaalsContact O-N 3.16Å
222	L	98.2	Very high	95.8	Very high	17 Å²	17	49.4 Å²	49.4	9%	0.089	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	114.5	-177.8	-60	-174.2	0	0	0	111	V220 L230 Y295 V296 I297 A322 L324 V344 L348	V220-L222 HydrophobicContact CG1-CD2 4.17Å; L222-L230 HydrophobicContact CD2-CD1 3.85Å; L222-L230 HydrophobicContact CD2-CD2 4.23Å; L222-L230 HydrophobicContact CD2-CG 4.29Å; L222-Y295 HydrophobicContact CD2-CD1 4.18Å; L222-V296 WeakPolarHBondContact CB-O 3.48Å; L222-V296 PolarHBondContact N-O 2.84Å; L222-I297 HydrophobicContact CD1-CG1 4.06Å; L222-A322 CarbonylContact C-O 3.53Å; L222-A322 VanDerWaalsContact CA-O 3.26Å; L222-A322 WeakPolarHBondContact CA-O 3.45Å; L222-A322 HydrophobicContact CD2-CB 4.01Å; L222-L324 HydrophobicContact CD1-CD1 4.39Å; L222-V344 HydrophobicContact CD1-CG1 4.17Å; L222-L348 HydrophobicContact CD1-CD1 4.13Å; L222-L348 HydrophobicContact CD1-CD2 3.57Å; L222-L348 HydrophobicContact CD1-CG 4.39Å
223	C	96.4	Very high	95.4	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.054	24%	0.235	C	C	.	.			trans	-138.4	133.8	-177.3	-70.1	0	0	0	0	109.6	Y221 E225 S226 Y311 A322 R323	Y221-C223 VanDerWaalsContact CD1-SG 3.55Å; Y221-C223 PolarHBondContact O-N 3.07Å; C223-E225 PolarHBondContact O-N 3.03Å; C223-S226 WeakPolarHBondContact O-CB 3.44Å; C223-S226 PolarHBondContact O-N 3.4Å; C223-S226 VanDerWaalsContact O-N 3.11Å; C223-Y311 HydrophobicContact CB-CD2 3.82Å; C223-Y311 HydrophobicContact CB-CG 4.29Å; C223-Y311 VanDerWaalsContact SG-CA 3.54Å; C223-A322 PolarHBondContact N-O 2.86Å; C223-R323 VanDerWaalsContact O-CB 3.22Å; C223-R323 WeakPolarHBondContact O-CB 3.49Å
224	A	94.3	Very high	95.1	Very high	49 Å²	49	40.1 Å²	40.1	41%	0.405	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.7	-179.1	0	0	0	0	0	112.8	S226 I338	A224-S226 VanDerWaalsContact C-N 3.34Å; A224-I338 HydrophobicContact CB-CG1 4.13Å
225	E	94	Very high	94.2	Very high	81 Å²	81	43.6 Å²	43.6	38%	0.379	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.4	178	-60.2	88.5	161.6	0	0	113.8	C223 E227 G308 Y311	C223-E225 PolarHBondContact O-N 3.03Å; E225-E227 PolarHBondContact O-N 3.09Å; E225-G308 WeakPolarHBondContact OE1-CA 3.46Å; E225-G308 PolarHBondContact OE1-N 2.84Å; E225-Y311 HydrophobicContact CB-CD1 4.13Å; E225-Y311 HydrophobicContact CB-CD2 4.38Å; E225-Y311 HydrophobicContact CB-CG 4Å
226	S	95.2	Very high	92.7	Very high	2 Å²	2	45 Å²	45	1%	0.014	24%	0.24	C	C	.	.			trans	-63.6	137.3	-179.6	-172	0	0	0	0	111.8	C223 A224 Y228 T321 A322 R323	C223-S226 WeakPolarHBondContact O-CB 3.44Å; C223-S226 PolarHBondContact O-N 3.4Å; C223-S226 VanDerWaalsContact O-N 3.11Å; A224-S226 VanDerWaalsContact C-N 3.34Å; S226-Y228 PolarHBondContact O-N 3.07Å; S226-Y228 PolarHBondContact OG-N 2.86Å; S226-T321 WeakPolarHBondContact OG-CB 3.32Å; S226-T321 PolarHBondContact OG-O 2.72Å; S226-T321 PolarHBondContact OG-OG1 3.45Å; S226-A322 VanDerWaalsContact CB-C 3.5Å; S226-A322 WeakPolarHBondContact OG-CA 3.49Å; S226-A322 PolarHBondContact OG-N 3.34Å; S226-R323 WeakPolarHBondContact O-CD 3.45Å; S226-R323 PolarHBondContact O-NE 2.99Å; S226-R323 VanDerWaalsContact O-NE 3.16Å
227	E	94	Very high	91	Very high	126 Å²	126	50.1 Å²	50.1	59%	0.589	26%	0.26	S	S	*	.	S	Bend	trans	-69.4	-25.8	172.9	-64.5	-179.5	170.7	0	0	111.8	E225	E225-E227 PolarHBondContact O-N 3.09Å
228	Y	95.6	Very high	89.3	Confident	56 Å²	56	47.8 Å²	47.8	22%	0.22	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-90.8	130	-176.2	-49.9	-71.9	0	0	0	111.1	S226 H287 A322 R323	S226-Y228 PolarHBondContact O-N 3.07Å; S226-Y228 PolarHBondContact OG-N 2.86Å; Y228-H287 HydrophobicContact CD1-CB 4.2Å; Y228-H287 AromaticContact CD1-CE1 3.9Å; Y228-H287 AromaticContact CD1-CG 3.76Å; Y228-H287 AromaticContact CD1-ND1 3.57Å; Y228-H287 HydrophobicContact CE1-CB 4.5Å; Y228-H287 AromaticContact CE1-CD2 3.6Å; Y228-H287 AromaticContact CE1-CE1 3.14Å; Y228-H287 WeakPolarHBondContact CE1-CE1 3.17Å; Y228-H287 AromaticContact CE1-CG 3.61Å; Y228-H287 AromaticContact CE1-ND1 3.32Å; Y228-H287 VanDerWaalsContact CE1-ND1 3.32Å; Y228-H287 WeakPolarHBondContact CE1-ND1 3.44Å; Y228-H287 AromaticContact CE1-NE2 3.33Å; Y228-H287 VanDerWaalsContact CE1-NE2 3.33Å; Y228-H287 WeakPolarHBondContact CE1-NE2 3.37Å; Y228-H287 AromaticContact CE2-CE1 3.69Å; Y228-H287 AromaticContact CE2-ND1 3.94Å; Y228-H287 AromaticContact CG-ND1 3.98Å; Y228-H287 AromaticContact CZ-CE1 3.04Å; Y228-H287 AromaticContact CZ-ND1 3.54Å; Y228-H287 AromaticContact CZ-NE2 3.53Å; Y228-H287 PolarHBondContact OH-CE1 3.06Å; Y228-H287 PolarHBondContact OH-NE2 2.74Å; Y228-A322 CarbonylContact O-C 3.42Å; Y228-A322 VanDerWaalsContact O-CA 3.23Å; Y228-A322 WeakPolarHBondContact O-CA 3.37Å; Y228-R323 WeakPolarHBondContact O-CG 3.42Å; Y228-R323 PolarHBondContact O-N 3.25Å
229	T	95	Very high	87.3	Confident	23 Å²	23	49.5 Å²	49.5	14%	0.141	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-98.6	139.8	178.5	-53.2	0	0	0	0	109.5	R323 P325 E328	T229-R323 PolarHBondContact OG1-NH1 2.97Å; T229-R323 PolarHBondContact OG1-NH2 2.72Å; T229-R323 VanDerWaalsContact OG1-NH2 3.11Å; T229-P325 VanDerWaalsContact CG2-CA 3.5Å; T229-P325 HydrophobicContact CG2-CB 3.53Å; T229-P325 HydrophobicContact CG2-CG 4.41Å; T229-E328 HydrophobicContact CG2-CG 4.4Å
230	L	96	Very high	85.4	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-62.4	142	171.6	-69.3	174.9	0	0	0	110.5	L222 F234 F289 Y295 A322 R323 L324 L348 W358	L222-L230 HydrophobicContact CD2-CD1 3.85Å; L222-L230 HydrophobicContact CD2-CD2 4.23Å; L222-L230 HydrophobicContact CD2-CG 4.29Å; L230-F234 HydrophobicContact CB-CZ 4.29Å; L230-F234 HydrophobicContact CD2-CE1 4.22Å; L230-F234 HydrophobicContact CD2-CZ 4.43Å; L230-F289 HydrophobicContact CD2-CB 4.25Å; L230-F289 HydrophobicContact CD2-CD1 4.28Å; L230-F289 HydrophobicContact CD2-CD2 4.29Å; L230-F289 HydrophobicContact CD2-CG 4.02Å; L230-Y295 HydrophobicContact CD2-CD1 4.29Å; L230-Y295 HydrophobicContact CD2-CE1 3.71Å; L230-A322 HydrophobicContact CD2-CB 3.53Å; L230-A322 HydrophobicContact CG-CB 3.86Å; L230-R323 PolarHBondContact N-O 2.98Å; L230-L324 HydrophobicContact CD1-CD1 4.37Å; L230-L348 HydrophobicContact CD1-CD1 3.86Å; L230-W358 HydrophobicContact CB-CZ2 3.73Å; L230-W358 HydrophobicContact CD1-CH2 3.68Å; L230-W358 HydrophobicContact CD1-CZ2 3.62Å; L230-W358 HydrophobicContact CG-CZ2 4.35Å
231	P	93.5	Very high	83	Confident	8 Å²	8	52.4 Å²	52.4	5%	0.052	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-72.7	163.9	-176.8	33	-37	0	0	0	111	C233 F234 F289 W358	P231-C233 VanDerWaalsContact C-N 3.27Å; P231-C233 WeakPolarHBondContact CB-O 3.4Å; P231-C233 VanDerWaalsContact CG-O 3.27Å; P231-C233 WeakPolarHBondContact CG-O 3.32Å; P231-F234 HydrophobicContact CG-CD1 4.14Å; P231-F234 HydrophobicContact CG-CE1 4.11Å; P231-F234 HydrophobicContact CG-CG 4.48Å; P231-F234 HydrophobicContact CG-CZ 4.4Å; P231-F289 HydrophobicContact CG-CB 4.18Å; P231-W358 PolarHBondContact O-NE1 3.24Å
232	E	90.9	Very high	80.7	Confident	98 Å²	98	57.6 Å²	57.6	46%	0.458	32%	0.319	S	S	.	.	S	Bend	trans	-68	-32.3	173.8	-165.9	62.1	-146.1	0	0	111.3	W358	E232-W358 PolarHBondContact OE1-N 3.31Å
233	C	87.8	Confident	78.4	Confident	30 Å²	30	58.8 Å²	58.8	20%	0.203	33%	0.325	C	S	.	.			trans	-133.1	147.7	176.6	60.4	0	0	0	0	111.8	P231 D238 S240	P231-C233 VanDerWaalsContact C-N 3.27Å; P231-C233 WeakPolarHBondContact CB-O 3.4Å; P231-C233 VanDerWaalsContact CG-O 3.27Å; P231-C233 WeakPolarHBondContact CG-O 3.32Å; C233-D238 VanDerWaalsContact SG-CB 3.51Å; C233-D238 PolarHBondContact SG-OD2 2.96Å; C233-S240 PolarHBondContact SG-OG 3.14Å
234	F	90	Very high	75.8	Confident	7 Å²	7	64.4 Å²	64.4	3%	0.031	36%	0.359	C	S	.	.			trans	-104.6	17.6	-173.6	-69.1	-92.4	0	0	0	113.2	L230 P231 F289 N290 H291 Y295 V351 L352 W358	L230-F234 HydrophobicContact CB-CZ 4.29Å; L230-F234 HydrophobicContact CD2-CE1 4.22Å; L230-F234 HydrophobicContact CD2-CZ 4.43Å; P231-F234 HydrophobicContact CG-CD1 4.14Å; P231-F234 HydrophobicContact CG-CE1 4.11Å; P231-F234 HydrophobicContact CG-CG 4.48Å; P231-F234 HydrophobicContact CG-CZ 4.4Å; F234-F289 HydrophobicContact CD1-CB 4.45Å; F234-F289 HydrophobicContact CE1-CB 4.28Å; F234-N290 WeakPolarHBondContact O-CA 3.25Å; F234-H291 WeakPolarHBondContact CB-NE2 3.41Å; F234-Y295 WeakPolarHBondContact CD1-OH 3.17Å; F234-Y295 HydrophobicContact CE1-CE1 4.02Å; F234-Y295 AromaticContact CE1-CZ 3.67Å; F234-Y295 WeakPolarHBondContact CE1-OH 3.42Å; F234-V351 HydrophobicContact CE2-CG1 3.85Å; F234-L352 HydrophobicContact CD1-CD2 4.02Å; F234-L352 HydrophobicContact CD2-CD2 4.09Å; F234-L352 HydrophobicContact CE1-CD2 3.75Å; F234-L352 HydrophobicContact CE2-CD2 3.85Å; F234-L352 HydrophobicContact CG-CD2 4.17Å; F234-L352 HydrophobicContact CZ-CD2 3.66Å; F234-W358 HydrophobicContact CE2-CZ2 4.39Å; F234-W358 HydrophobicContact CZ-CZ2 4.15Å
235	N	79.7	Confident	73.1	Confident	97 Å²	97	66.3 Å²	66.3	52%	0.519	37%	0.366	S	S	.	.			trans	-79.8	137.8	177.1	-72.9	-26	0	0	0	110.8	N237 D238 N241	N235-N237 PolarHBondContact O-N 2.86Å; N235-D238 HydrophobicContact CB-CB 4.44Å; N235-D238 PolarHBondContact O-N 3.48Å; N235-N241 PolarHBondContact O-ND2 3.23Å
236	I	63.5	Low	70.5	Confident	104 Å²	104	66.7 Å²	66.7	53%	0.533	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30	-178.9	-62.4	170	0	0	0	112	H288 N290	I236-H288 WeakPolarHBondContact CA-NE2 3.24Å; I236-H288 PolarHBondContact O-CE1 3.16Å; I236-N290 HydrophobicContact CG1-CB 4.28Å
237	N	61.8	Low	67.4	Low	158 Å²	158	72.8 Å²	72.8	85%	0.845	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	6.4	-174.1	-60.6	-22.4	0	0	0	113.9	N235	N235-N237 PolarHBondContact O-N 2.86Å
238	D	58.7	Low	64.2	Low	56 Å²	56	73 Å²	73	30%	0.299	42%	0.417	S	S	.	.			trans	-90.7	125.2	-177	-160.6	-54.3	0	0	0	111.8	C233 N235 S240 N241	C233-D238 VanDerWaalsContact SG-CB 3.51Å; C233-D238 PolarHBondContact SG-OD2 2.96Å; N235-D238 HydrophobicContact CB-CB 4.44Å; N235-D238 PolarHBondContact O-N 3.48Å; D238-S240 VanDerWaalsContact CG-OG 3.23Å; D238-S240 PolarHBondContact O-N 3.48Å; D238-S240 VanDerWaalsContact OD1-CB 3.32Å; D238-S240 WeakPolarHBondContact OD1-CB 3.45Å; D238-S240 PolarHBondContact OD1-N 2.83Å; D238-S240 PolarHBondContact OD1-OG 3.33Å; D238-N241 VanDerWaalsContact O-CB 3.28Å; D238-N241 WeakPolarHBondContact O-CB 3.47Å; D238-N241 PolarHBondContact O-N 3.22Å
239	P	54.5	Low	61	Low	109 Å²	109	76 Å²	76	71%	0.708	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-61.2	-20.5	177.2	21.7	-30.6	0	0	0	114.3	N241 T242	P239-N241 PolarHBondContact O-N 3.33Å; P239-T242 PolarHBondContact O-OG1 2.99Å; P239-T242 VanDerWaalsContact O-OG1 3.1Å
240	S	56.9	Low	57.8	Low	57 Å²	57	86.2 Å²	86.2	40%	0.399	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-70.8	-5.8	172.9	66.1	0	0	0	0	114.3	C233 D238 T242	C233-S240 PolarHBondContact SG-OG 3.14Å; D238-S240 VanDerWaalsContact CG-OG 3.23Å; D238-S240 PolarHBondContact O-N 3.48Å; D238-S240 VanDerWaalsContact OD1-CB 3.32Å; D238-S240 WeakPolarHBondContact OD1-CB 3.45Å; D238-S240 PolarHBondContact OD1-N 2.83Å; D238-S240 PolarHBondContact OD1-OG 3.33Å; S240-T242 PolarHBondContact O-N 3.38Å
241	N	49.5	Very low	54.4	Low	5 Å²	5	93.8 Å²	93.8	3%	0.027	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-81.1	13.4	175.7	-144.1	-30.4	0	0	0	113.7	N235 D238 P239 H288 F289	N235-N241 PolarHBondContact O-ND2 3.23Å; D238-N241 VanDerWaalsContact O-CB 3.28Å; D238-N241 WeakPolarHBondContact O-CB 3.47Å; D238-N241 PolarHBondContact O-N 3.22Å; P239-N241 PolarHBondContact O-N 3.33Å; N241-H288 VanDerWaalsContact CB-CE1 3.5Å; N241-H288 WeakPolarHBondContact CB-CE1 3.47Å; N241-H288 VanDerWaalsContact CG-CD2 3.48Å; N241-H288 VanDerWaalsContact CG-CG 3.44Å; N241-H288 PolarHBondContact ND2-CD2 2.74Å; N241-H288 PolarHBondContact ND2-CE1 3.18Å; N241-H288 PolarHBondContact ND2-NE2 3.27Å; N241-H288 WeakPolarHBondContact OD1-CA 3.32Å; N241-H288 PolarHBondContact OD1-CD2 3.44Å; N241-H288 VanDerWaalsContact OD1-CG 3.28Å; N241-H288 PolarHBondContact OD1-ND1 2.99Å; N241-F289 PolarHBondContact ND2-O 3.2Å; N241-F289 VanDerWaalsContact ND2-O 3.16Å; N241-F289 PolarHBondContact OD1-N 2.86Å
242	T	49.7	Very low	51.1	Low	115 Å²	115	100.2 Å²	100.2	71%	0.706	55%	0.549	S	S	*	.	S	Bend	trans	-98.5	110.5	167.7	56	0	0	0	0	108.4	P239 S240 T244	P239-T242 PolarHBondContact O-OG1 2.99Å; P239-T242 VanDerWaalsContact O-OG1 3.1Å; S240-T242 PolarHBondContact O-N 3.38Å; T242-T244 PolarHBondContact O-N 3.03Å
243	N	48.7	Very low	47.9	Very low	42 Å²	42	102.7 Å²	102.7	23%	0.225	57%	0.566	C	S	.	*			trans	-64.9	133.6	-175.1	-72	-18.3	0	0	0	112.1	T245 H287	N243-T245 PolarHBondContact O-N 2.79Å; N243-H287 WeakPolarHBondContact ND2-CB 3.39Å; N243-H287 PolarHBondContact ND2-O 3.09Å
244	T	43	Very low	44.9	Very low	125 Å²	125	105.6 Å²	105.6	77%	0.767	59%	0.592	S	S	*	*			trans	-73.4	100.5	163.1	-47.3	0	0	0	0	108.9	T242 T246	T242-T244 PolarHBondContact O-N 3.03Å; T244-T246 PolarHBondContact O-N 3Å
245	T	36.6	Very low	41.7	Very low	90 Å²	90	111 Å²	111	55%	0.552	63%	0.63	S	S	*	*			trans	-60.8	121.1	161.7	-52.5	0	0	0	0	107.4	N243 N247	N243-T245 PolarHBondContact O-N 2.79Å; T245-N247 WeakPolarHBondContact CG2-OD1 3.43Å; T245-N247 PolarHBondContact O-N 2.9Å
246	T	39.5	Very low	39.1	Very low	88 Å²	88	112.7 Å²	112.7	54%	0.54	64%	0.639	S	S	.	*			trans	-70.8	80.6	169.3	53.4	0	0	0	0	108.6	T244 T248	T244-T246 PolarHBondContact O-N 3Å; T246-T248 PolarHBondContact O-N 3.38Å
247	N	30.4	Very low	37.2	Very low	130 Å²	130	113.9 Å²	113.9	70%	0.695	65%	0.647	S	S	*	*			trans	-71.7	77.2	164.6	-78.2	-3.7	0	0	0	108.3	T245 T249	T245-N247 WeakPolarHBondContact CG2-OD1 3.43Å; T245-N247 PolarHBondContact O-N 2.9Å; N247-T249 PolarHBondContact O-N 3.21Å
248	T	27.5	Very low	35.2	Very low	132 Å²	132	114.1 Å²	114.1	81%	0.81	65%	0.648	S	S	*	*			trans	-86.4	67.8	162.9	-46.6	0	0	0	0	108.2	T246	T246-T248 PolarHBondContact O-N 3.38Å
249	T	27.7	Very low	33.6	Very low	117 Å²	117	118.7 Å²	118.7	72%	0.718	67%	0.673	S	S	*	*			trans	-121.6	94.4	163.7	43.8	0	0	0	0	108.2	N247	N247-T249 PolarHBondContact O-N 3.21Å
250	R	26.8	Very low	31.9	Very low	239 Å²	239	118.4 Å²	118.4	90%	0.902	67%	0.669	S	S	*	*			trans	40.5	107.3	149.6	-61.5	-176.7	-179.2	178.4	-0.2	117.5	D252	R250-D252 PolarHBondContact O-N 3.46Å
251	I	25.4	Very low	30.3	Very low	163 Å²	163	122.4 Å²	122.4	84%	0.836	69%	0.686	S	S	*	*			trans	-22.2	116.8	141.4	-56.9	160.8	0	0	0	110.4
252	D	24.7	Very low	28.9	Very low	142 Å²	142	128.3 Å²	128.3	76%	0.759	72%	0.722	S	S	*	*			trans	-156.2	124.9	137.4	-80.3	-31.9	0	0	0	108.2	R250	R250-D252 PolarHBondContact O-N 3.46Å
253	D	23.3	Very low	27.7	Very low	151 Å²	151	127.1 Å²	127.1	81%	0.807	72%	0.724	S	S	*	*			trans	72.5	117.2	154	-61	-22.4	0	0	0	124
254	A	24.6	Very low	26.5	Very low	91 Å²	91	131.6 Å²	131.6	75%	0.752	75%	0.753	S	S	*	*			trans	82.7	107.4	132.8	0	0	0	0	0	119.5
255	S	23.5	Very low	25.5	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	76%	0.757	S	S	*	*			trans	7.6	127	134.1	-46.2	0	0	0	0	117.1
256	N	23.9	Very low	25.2	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	77%	0.771	S	S	*	*				166.2	147.8	93.4	-159.1	22.3	0	0	0	112.5
257	D	24.1	Very low	24.3	Very low	129 Å²	129	137.7 Å²	137.7	69%	0.69	78%	0.777	S	S	*	*			trans	69.9	114.7	155.7	-68	-28.4	0	0	0	123.6
258	N	20.5	Very low	23.8	Very low	162 Å²	162	138.2 Å²	138.2	87%	0.866	78%	0.779	S	S	*	*			trans	-45	128.5	146.5	-63.1	-48.5	0	0	0	111.7
259	N	25.2	Very low	23.8	Very low	153 Å²	153	139.8 Å²	139.8	82%	0.818	78%	0.781	S	S	*	*			trans	-156.3	141	131	-144.3	-6.6	0	0	0	113.4
260	T	19.3	Very low	23.6	Very low	103 Å²	103	141.5 Å²	141.5	63%	0.632	79%	0.786	S	S	*	*			trans	-75.5	156.4	175.9	47.8	0	0	0	0	112.9
261	N	21.6	Very low	23.6	Very low	140 Å²	140	138.1 Å²	138.1	75%	0.749	79%	0.786	S	S	*	*			trans	86.2	140.2	142.3	-74.2	-11.6	0	0	0	121.8
262	T	21.8	Very low	23.6	Very low	129 Å²	129	134.2 Å²	134.2	79%	0.791	78%	0.778	S	S	*	*			trans	80.2	102.3	148	46.9	0	0	0	0	119.8
263	A	22.6	Very low	23.7	Very low	90 Å²	90	132.9 Å²	132.9	74%	0.744	78%	0.78	S	S	*	*				11.1	127.6	125.3	0	0	0	0	0	117.7
264	T	23.5	Very low	24.1	Very low	137 Å²	137	133.2 Å²	133.2	84%	0.84	78%	0.782	S	S	*	*				-175	141.3	118.7	27.9	0	0	0	0	110.9
265	N	22.3	Very low	24.1	Very low	160 Å²	160	134.7 Å²	134.7	86%	0.856	78%	0.782	S	S	*	*			trans	-56.4	138.5	170.7	-59.1	-37.1	0	0	0	112.1
266	I	31	Very low	24.3	Very low	163 Å²	163	134.6 Å²	134.6	84%	0.836	78%	0.776	S	S	*	*			trans	-139.2	125.5	155.6	-63.1	-176.5	0	0	0	109.1
267	T	19.9	Very low	24.3	Very low	107 Å²	107	134.5 Å²	134.5	66%	0.656	78%	0.78	S	S	*	*			trans	-82.3	156.5	171	46.4	0	0	0	0	111.2
268	D	20.1	Very low	24.6	Very low	141 Å²	141	133.7 Å²	133.7	75%	0.754	78%	0.78	S	S	*	*			trans	72.1	123.3	157.9	-46	-36.8	0	0	0	118.8
269	I	28.9	Very low	25.1	Very low	165 Å²	165	131 Å²	131	85%	0.846	77%	0.77	S	S	*	*				179.9	131.4	112.4	-84.8	154.4	0	0	0	109.4
270	D	21.9	Very low	25.5	Very low	154 Å²	154	128.2 Å²	128.2	82%	0.824	76%	0.762	S	S	*	*			trans	-60.9	137.7	169.1	-61.6	-55.5	0	0	0	112.1
271	D	28.2	Very low	26	Very low	167 Å²	167	128.4 Å²	128.4	89%	0.893	76%	0.763	S	S	*	*			trans	-151.9	139.8	144.2	-126.6	-19.7	0	0	0	112.5
272	A	25.1	Very low	26.5	Very low	82 Å²	82	126.5 Å²	126.5	68%	0.678	76%	0.757	S	S	*	*			trans	-82.2	163	-168.8	0	0	0	0	0	113.2
273	S	25.7	Very low	27.3	Very low	114 Å²	114	124.6 Å²	124.6	80%	0.797	75%	0.745	S	S	*	*			trans	77.2	88.8	160.1	75.5	0	0	0	0	117.9
274	N	31.9	Very low	28.2	Very low	158 Å²	158	126.8 Å²	126.8	85%	0.845	75%	0.745	S	S	*	*				-160.7	129.6	110.9	-127.4	-7.5	0	0	0	112.5
275	T	24.1	Very low	29.3	Very low	122 Å²	122	124.3 Å²	124.3	75%	0.748	73%	0.726	S	S	*	*			trans	-60.5	124.1	167.5	45.3	0	0	0	0	111.1
276	T	28.8	Very low	30.9	Very low	116 Å²	116	123.2 Å²	123.2	71%	0.712	72%	0.72	S	S	*	*				177.5	98.9	128.1	-68.8	0	0	0	0	106.2	T278	T276-T278 PolarHBondContact O-N 3.39Å
277	T	24.1	Very low	32.9	Very low	132 Å²	132	118 Å²	118	81%	0.81	69%	0.692	S	S	*	*			trans	-68	75.2	172	-41.7	0	0	0	0	108.8	T279	T277-T279 PolarHBondContact O-N 2.94Å; T277-T279 VanDerWaalsContact O-N 3.1Å
278	T	29.3	Very low	36.1	Very low	113 Å²	113	115.1 Å²	115.1	69%	0.693	67%	0.671	S	S	*	*			trans	-72.6	96.8	154.5	-14.1	0	0	0	0	104	T276 S280	T276-T278 PolarHBondContact O-N 3.39Å; T278-S280 PolarHBondContact O-N 3.21Å
279	T	32.7	Very low	39.6	Very low	106 Å²	106	108.5 Å²	108.5	65%	0.65	64%	0.636	S	S	*	*			trans	-65.3	77	167.4	-30	0	0	0	0	106.4	T277 T281	T277-T279 PolarHBondContact O-N 2.94Å; T277-T279 VanDerWaalsContact O-N 3.1Å; T279-T281 HydrophobicContact CG2-CG2 4.09Å; T279-T281 PolarHBondContact O-N 3.22Å
280	S	32.8	Very low	42.7	Very low	93 Å²	93	101.7 Å²	101.7	65%	0.65	60%	0.601	S	S	*	*			trans	-61.2	84.6	149.7	45.5	0	0	0	0	104.1	T278 T282	T278-S280 PolarHBondContact O-N 3.21Å; S280-T282 PolarHBondContact O-N 3.22Å
281	T	29.6	Very low	46.2	Very low	107 Å²	107	97.4 Å²	97.4	66%	0.656	58%	0.576	S	S	*	*			trans	-58.7	80.1	148.4	44.3	0	0	0	0	104.6	T279 T283	T279-T281 HydrophobicContact CG2-CG2 4.09Å; T279-T281 PolarHBondContact O-N 3.22Å; T281-T283 PolarHBondContact O-N 2.95Å
282	T	32.6	Very low	49.4	Very low	100 Å²	100	94.5 Å²	94.5	61%	0.613	56%	0.561	S	S	*	*			trans	-56.7	89.9	151.7	-56.1	0	0	0	0	102.2	S280 N284	S280-T282 PolarHBondContact O-N 3.22Å; T282-N284 PolarHBondContact O-N 2.96Å
283	T	38	Very low	52.8	Low	89 Å²	89	90.8 Å²	90.8	55%	0.546	53%	0.529	S	S	.	.			trans	-57	103.6	168.1	49.4	0	0	0	0	102.9	T281 N285	T281-T283 PolarHBondContact O-N 2.95Å; T283-N285 WeakPolarHBondContact CB-OD1 3.46Å; T283-N285 PolarHBondContact O-N 3.03Å; T283-N285 PolarHBondContact OG1-ND2 3.06Å
284	N	40.6	Very low	56.2	Low	137 Å²	137	85.8 Å²	85.8	73%	0.733	49%	0.493	S	S	*	.			trans	-64.2	68.4	169	-70.1	-24.1	0	0	0	106.3	T282 N286	T282-N284 PolarHBondContact O-N 2.96Å; N284-N286 PolarHBondContact O-N 3.46Å
285	N	48.4	Very low	59.4	Low	85 Å²	85	78.2 Å²	78.2	46%	0.455	45%	0.453	S	S	.	.			trans	-72.4	90.1	173.6	-72.1	-21.3	0	0	0	103.5	T283 H287	T283-N285 WeakPolarHBondContact CB-OD1 3.46Å; T283-N285 PolarHBondContact O-N 3.03Å; T283-N285 PolarHBondContact OG1-ND2 3.06Å; N285-H287 WeakPolarHBondContact CB-CE1 3.39Å; N285-H287 WeakPolarHBondContact CB-NE2 3.35Å; N285-H287 PolarHBondContact O-CD2 3.36Å; N285-H287 VanDerWaalsContact O-CG 3.27Å; N285-H287 PolarHBondContact O-N 3.12Å; N285-H287 PolarHBondContact O-NE2 3Å
286	N	54.9	Low	63	Low	137 Å²	137	72.4 Å²	72.4	73%	0.733	42%	0.417	S	S	*	.			trans	-58.6	95.4	166.2	-78.7	-12.3	0	0	0	106.4	N284 H288	N284-N286 PolarHBondContact O-N 3.46Å; N286-H288 PolarHBondContact O-N 2.98Å
287	H	72.3	Confident	66.3	Low	52 Å²	52	67.1 Å²	67.1	24%	0.241	39%	0.385	C	S	.	.			trans	-77.7	37.3	-176.5	-62	-72.6	0	0	0	112	Y228 N243 N285	Y228-H287 HydrophobicContact CD1-CB 4.2Å; Y228-H287 AromaticContact CD1-CE1 3.9Å; Y228-H287 AromaticContact CD1-CG 3.76Å; Y228-H287 AromaticContact CD1-ND1 3.57Å; Y228-H287 HydrophobicContact CE1-CB 4.5Å; Y228-H287 AromaticContact CE1-CD2 3.6Å; Y228-H287 AromaticContact CE1-CE1 3.14Å; Y228-H287 WeakPolarHBondContact CE1-CE1 3.17Å; Y228-H287 AromaticContact CE1-CG 3.61Å; Y228-H287 AromaticContact CE1-ND1 3.32Å; Y228-H287 VanDerWaalsContact CE1-ND1 3.32Å; Y228-H287 WeakPolarHBondContact CE1-ND1 3.44Å; Y228-H287 AromaticContact CE1-NE2 3.33Å; Y228-H287 VanDerWaalsContact CE1-NE2 3.33Å; Y228-H287 WeakPolarHBondContact CE1-NE2 3.37Å; Y228-H287 AromaticContact CE2-CE1 3.69Å; Y228-H287 AromaticContact CE2-ND1 3.94Å; Y228-H287 AromaticContact CG-ND1 3.98Å; Y228-H287 AromaticContact CZ-CE1 3.04Å; Y228-H287 AromaticContact CZ-ND1 3.54Å; Y228-H287 AromaticContact CZ-NE2 3.53Å; Y228-H287 PolarHBondContact OH-CE1 3.06Å; Y228-H287 PolarHBondContact OH-NE2 2.74Å; N243-H287 WeakPolarHBondContact ND2-CB 3.39Å; N243-H287 PolarHBondContact ND2-O 3.09Å; N285-H287 WeakPolarHBondContact CB-CE1 3.39Å; N285-H287 WeakPolarHBondContact CB-NE2 3.35Å; N285-H287 PolarHBondContact O-CD2 3.36Å; N285-H287 VanDerWaalsContact O-CG 3.27Å; N285-H287 PolarHBondContact O-N 3.12Å; N285-H287 PolarHBondContact O-NE2 3Å
288	H	87.1	Confident	69.8	Low	48 Å²	48	61.6 Å²	61.6	22%	0.222	35%	0.354	C	S	.	.			trans	-93.6	115	-175.3	-176.6	120.5	0	0	0	109.2	I236 N241 N286 R320	I236-H288 WeakPolarHBondContact CA-NE2 3.24Å; I236-H288 PolarHBondContact O-CE1 3.16Å; N241-H288 VanDerWaalsContact CB-CE1 3.5Å; N241-H288 WeakPolarHBondContact CB-CE1 3.47Å; N241-H288 VanDerWaalsContact CG-CD2 3.48Å; N241-H288 VanDerWaalsContact CG-CG 3.44Å; N241-H288 PolarHBondContact ND2-CD2 2.74Å; N241-H288 PolarHBondContact ND2-CE1 3.18Å; N241-H288 PolarHBondContact ND2-NE2 3.27Å; N241-H288 WeakPolarHBondContact OD1-CA 3.32Å; N241-H288 PolarHBondContact OD1-CD2 3.44Å; N241-H288 VanDerWaalsContact OD1-CG 3.28Å; N241-H288 PolarHBondContact OD1-ND1 2.99Å; N286-H288 PolarHBondContact O-N 2.98Å; H288-R320 PolarHBondContact O-NH2 2.95Å
289	F	94.2	Very high	73.1	Confident	1 Å²	1	56.2 Å²	56.2	0%	0.004	32%	0.321	C	S	.	.			trans	-97.7	134.1	-178.9	-55.9	-76.9	0	0	0	110.1	V220 L230 P231 F234 N241 D293 R320 A322	V220-F289 HydrophobicContact CB-CD1 4.41Å; V220-F289 HydrophobicContact CB-CE1 4.48Å; V220-F289 HydrophobicContact CG1-CD1 3.72Å; V220-F289 HydrophobicContact CG1-CE1 3.59Å; V220-F289 HydrophobicContact CG2-CD1 3.76Å; V220-F289 HydrophobicContact CG2-CE1 4.02Å; L230-F289 HydrophobicContact CD2-CB 4.25Å; L230-F289 HydrophobicContact CD2-CD1 4.28Å; L230-F289 HydrophobicContact CD2-CD2 4.29Å; L230-F289 HydrophobicContact CD2-CG 4.02Å; P231-F289 HydrophobicContact CG-CB 4.18Å; F234-F289 HydrophobicContact CD1-CB 4.45Å; F234-F289 HydrophobicContact CE1-CB 4.28Å; N241-F289 PolarHBondContact ND2-O 3.2Å; N241-F289 VanDerWaalsContact ND2-O 3.16Å; N241-F289 PolarHBondContact OD1-N 2.86Å; F289-D293 WeakPolarHBondContact CA-OD2 3.16Å; F289-R320 VanDerWaalsContact CE1-NH2 3.26Å; F289-A322 HydrophobicContact CD1-CB 4.41Å; F289-A322 HydrophobicContact CE1-CB 3.79Å; F289-A322 HydrophobicContact CE2-CB 4.09Å; F289-A322 HydrophobicContact CZ-CB 3.59Å
290	N	93.9	Very high	76.1	Confident	22 Å²	22	52.5 Å²	52.5	12%	0.118	30%	0.297	C	S	.	.			trans	-142.9	178.5	-175.7	63.9	53	0	0	0	113.3	F234 I236 D292 D293 Y295	F234-N290 WeakPolarHBondContact O-CA 3.25Å; I236-N290 HydrophobicContact CG1-CB 4.28Å; N290-D292 PolarHBondContact O-N 2.94Å; N290-D292 WeakPolarHBondContact OD1-CA 3.47Å; N290-D292 WeakPolarHBondContact OD1-CB 3.43Å; N290-D292 PolarHBondContact OD1-N 3.48Å; N290-D293 PolarHBondContact N-OD2 3.1Å; N290-D293 WeakPolarHBondContact O-CB 3.46Å; N290-D293 PolarHBondContact O-N 2.98Å; N290-D293 PolarHBondContact OD1-N 3.46Å; N290-Y295 PolarHBondContact N-OH 3.49Å; N290-Y295 WeakPolarHBondContact O-CE2 3.48Å; N290-Y295 PolarHBondContact O-OH 2.96Å
291	H	95.1	Very high	79.1	Confident	65 Å²	65	49 Å²	49	30%	0.301	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.8	-178.6	-75.1	-69.5	0	0	0	115.2	T112 F234 L352	T112-H291 WeakPolarHBondContact OG1-CB 3.46Å; T112-H291 PolarHBondContact OG1-ND1 3.27Å; T112-H291 VanDerWaalsContact OG1-ND1 3.09Å; T112-H291 PolarHBondContact OG1-O 2.97Å; F234-H291 WeakPolarHBondContact CB-NE2 3.41Å; H291-L352 PolarHBondContact CE1-O 3.37Å; H291-L352 PolarHBondContact ND1-O 3.23Å
292	D	95.3	Very high	82.1	Confident	106 Å²	106	45 Å²	45	57%	0.567	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-12.8	178.1	-63.2	-30	0	0	0	112.8	N290	N290-D292 PolarHBondContact O-N 2.94Å; N290-D292 WeakPolarHBondContact OD1-CA 3.47Å; N290-D292 WeakPolarHBondContact OD1-CB 3.43Å; N290-D292 PolarHBondContact OD1-N 3.48Å
293	D	97.2	Very high	84.8	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	24%	0.238	C	C	.	.	S	Bend	trans	-68.7	156.9	173.5	-70.9	-36.4	0	0	0	111.8	V220 F289 N290 Y295 R320	V220-D293 HydrophobicContact CG2-CB 3.81Å; F289-D293 WeakPolarHBondContact CA-OD2 3.16Å; N290-D293 PolarHBondContact N-OD2 3.1Å; N290-D293 WeakPolarHBondContact O-CB 3.46Å; N290-D293 PolarHBondContact O-N 2.98Å; N290-D293 PolarHBondContact OD1-N 3.46Å; D293-Y295 HydrophobicContact CB-CE2 3.91Å; D293-R320 VanDerWaalsContact CG-NH1 3.33Å; D293-R320 IonicContact OD1-NH1 2.78Å; D293-R320 PolarHBondContact OD1-NH1 3.06Å; D293-R320 IonicContact OD2-CZ 2.9Å; D293-R320 IonicContact OD2-NH1 3.99Å; D293-R320 PolarHBondContact OD2-NH1 2.92Å; D293-R320 VanDerWaalsContact OD2-NH1 3.11Å; D293-R320 IonicContact OD2-NH2 3.81Å
294	I	98.3	Very high	87.1	Confident	8 Å²	8	42.6 Å²	42.6	4%	0.041	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	105.2	177.8	-49.1	-60.5	0	0	0	108.6	K113 V115 F214 K218 V220 V296	K113-I294 HydrophobicContact CB-CD1 3.67Å; K113-I294 HydrophobicContact CB-CG2 4.46Å; K113-I294 HydrophobicContact CD-CD1 3.64Å; K113-I294 HydrophobicContact CG-CD1 3.97Å; V115-I294 HydrophobicContact CG2-CG2 3.59Å; F214-I294 HydrophobicContact CB-CG1 4.1Å; F214-I294 HydrophobicContact CD1-CD1 3.87Å; F214-I294 HydrophobicContact CD1-CG1 4Å; F214-I294 HydrophobicContact CD1-CG2 4.45Å; F214-I294 HydrophobicContact CD2-CG2 3.78Å; F214-I294 HydrophobicContact CE1-CD1 4.13Å; F214-I294 HydrophobicContact CE2-CG2 4.05Å; F214-I294 HydrophobicContact CG-CD1 4.32Å; F214-I294 HydrophobicContact CG-CG1 3.98Å; F214-I294 HydrophobicContact CG-CG2 3.99Å; F214-I294 HydrophobicContact CZ-CG2 4.5Å; K218-I294 HydrophobicContact CB-CG1 4Å; K218-I294 PolarHBondContact O-N 2.96Å; V220-I294 PolarHBondContact N-O 3.47Å; I294-V296 HydrophobicContact CG2-CG2 4.43Å; I294-V296 PolarHBondContact O-N 2.55Å
295	Y	98.7	Very high	89.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.4	-177.3	-62.8	-83.5	0	0	0	110.7	T112 K113 V114 V115 V220 L222 L230 F234 N290 D293 L352	T112-Y295 HydrophobicContact CG2-CD2 3.74Å; T112-Y295 HydrophobicContact CG2-CE2 3.76Å; K113-Y295 PolarHBondContact O-N 2.91Å; K113-Y295 VanDerWaalsContact O-N 3.1Å; V114-Y295 CarbonylContact C-O 3.58Å; V114-Y295 WeakPolarHBondContact CA-O 3.47Å; V115-Y295 PolarHBondContact N-O 3.39Å; V220-Y295 HydrophobicContact CB-CD1 4.02Å; V220-Y295 HydrophobicContact CB-CE1 4.19Å; V220-Y295 HydrophobicContact CG1-CD1 4.01Å; V220-Y295 HydrophobicContact CG1-CE1 4.07Å; V220-Y295 HydrophobicContact CG2-CE1 4.46Å; V220-Y295 WeakPolarHBondContact O-CA 3.46Å; L222-Y295 HydrophobicContact CD2-CD1 4.18Å; L230-Y295 HydrophobicContact CD2-CD1 4.29Å; L230-Y295 HydrophobicContact CD2-CE1 3.71Å; F234-Y295 WeakPolarHBondContact CD1-OH 3.17Å; F234-Y295 HydrophobicContact CE1-CE1 4.02Å; F234-Y295 AromaticContact CE1-CZ 3.67Å; F234-Y295 WeakPolarHBondContact CE1-OH 3.42Å; N290-Y295 PolarHBondContact N-OH 3.49Å; N290-Y295 WeakPolarHBondContact O-CE2 3.48Å; N290-Y295 PolarHBondContact O-OH 2.96Å; D293-Y295 HydrophobicContact CB-CE2 3.91Å; Y295-L352 HydrophobicContact CD2-CD1 3.83Å; Y295-L352 HydrophobicContact CD2-CD2 4.14Å; Y295-L352 HydrophobicContact CE2-CD1 4.32Å; Y295-L352 HydrophobicContact CE2-CD2 3.77Å; Y295-L352 HydrophobicContact CG-CD1 4.27Å
296	V	98.8	Very high	91.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	128.7	-177.4	-173.7	0	0	0	0	110.5	V115 D117 F210 I219 V220 Y221 L222 I294	V115-V296 HydrophobicContact CB-CB 4.4Å; V115-V296 HydrophobicContact CB-CG1 4.3Å; V115-V296 HydrophobicContact CB-CG2 4.06Å; V115-V296 HydrophobicContact CG1-CG1 4.24Å; V115-V296 HydrophobicContact CG2-CG2 4.36Å; V115-V296 CarbonylContact O-C 3.59Å; D117-V296 HydrophobicContact CB-CG1 3.87Å; F210-V296 HydrophobicContact CD1-CG1 4.08Å; F210-V296 HydrophobicContact CD2-CG2 4.02Å; F210-V296 HydrophobicContact CE1-CG1 3.92Å; F210-V296 HydrophobicContact CE2-CG1 4.47Å; F210-V296 HydrophobicContact CE2-CG2 4.15Å; F210-V296 HydrophobicContact CG-CG1 4.46Å; F210-V296 HydrophobicContact CG-CG2 4.35Å; F210-V296 HydrophobicContact CZ-CG1 4.12Å; I219-V296 HydrophobicContact CG2-CG2 3.9Å; V220-V296 PolarHBondContact O-N 2.76Å; Y221-V296 HydrophobicContact CD2-CB 3.95Å; Y221-V296 HydrophobicContact CD2-CG1 3.76Å; Y221-V296 HydrophobicContact CE2-CB 4.24Å; Y221-V296 HydrophobicContact CE2-CG1 3.52Å; Y221-V296 HydrophobicContact CG-CB 4.22Å; Y221-V296 HydrophobicContact CG-CG1 4.36Å; L222-V296 WeakPolarHBondContact CB-O 3.48Å; L222-V296 PolarHBondContact N-O 2.84Å; I294-V296 HydrophobicContact CG2-CG2 4.43Å; I294-V296 PolarHBondContact O-N 2.55Å
297	I	98.7	Very high	93.3	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.7	175.3	-56.1	170.4	0	0	0	108.6	V114 V115 I116 D117 L222 G299 T341 V344 F345 L348	V114-I297 HydrophobicContact CG1-CD1 3.92Å; V114-I297 HydrophobicContact CG1-CG1 4.49Å; V115-I297 PolarHBondContact O-N 2.78Å; I116-I297 WeakPolarHBondContact CA-O 3.32Å; D117-I297 PolarHBondContact N-O 2.68Å; L222-I297 HydrophobicContact CD1-CG1 4.06Å; I297-G299 PolarHBondContact O-N 3.19Å; I297-T341 HydrophobicContact CG2-CG2 3.85Å; I297-V344 HydrophobicContact CD1-CB 4.38Å; I297-V344 HydrophobicContact CD1-CG1 3.85Å; I297-V344 HydrophobicContact CG1-CG1 3.89Å; I297-V344 HydrophobicContact CG2-CB 4.12Å; I297-V344 HydrophobicContact CG2-CG1 4.02Å; I297-F345 HydrophobicContact CD1-CB 3.99Å; I297-F345 HydrophobicContact CD1-CD2 4Å; I297-L348 HydrophobicContact CD1-CD2 4.19Å
298	G	98.1	Very high	94.4	Very high	17 Å²	17	41.7 Å²	41.7	18%	0.175	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	122.5	173.8	0	0	0	0	0	112.7	Y221 L300 T341	Y221-G298 VanDerWaalsContact OH-CA 3.31Å; Y221-G298 WeakPolarHBondContact OH-CA 3.42Å; G298-L300 VanDerWaalsContact C-N 3.28Å; G298-L300 PolarHBondContact O-N 3.42Å; G298-T341 PolarHBondContact O-OG1 3.48Å
299	G	97.4	Very high	94.8	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.212	C	C	.	.			trans	-89.4	55.2	168.3	0	0	0	0	0	111.4	D117 L132 I297	D117-G299 WeakPolarHBondContact O-CA 3.31Å; D117-G299 PolarHBondContact O-N 2.89Å; L132-G299 WeakPolarHBondContact CD2-O 3.47Å; I297-G299 PolarHBondContact O-N 3.19Å
300	L	96.4	Very high	94.9	Very high	27 Å²	27	43.9 Å²	43.9	14%	0.141	22%	0.218	C	C	.	.			trans	-116.1	120.9	177.9	176.9	58.8	0	0	0	109.8	Y120 L123 M124 G298 D302 L306 Y309	Y120-L300 HydrophobicContact CD2-CB 3.92Å; Y120-L300 HydrophobicContact CE2-CB 4.48Å; Y120-L300 HydrophobicContact CG-CB 4.18Å; Y120-L300 HydrophobicContact CG-CD1 4.37Å; L123-L300 HydrophobicContact CB-CD1 3.92Å; L123-L300 HydrophobicContact CD1-CD1 4.46Å; M124-L300 HydrophobicContact CG-CD1 3.89Å; M124-L300 HydrophobicContact SD-CD1 4.45Å; G298-L300 VanDerWaalsContact C-N 3.28Å; G298-L300 PolarHBondContact O-N 3.42Å; L300-D302 HydrophobicContact CD1-CB 4.21Å; L300-D302 HydrophobicContact CG-CB 4.23Å; L300-L306 HydrophobicContact CD2-CD1 4.44Å; L300-Y309 HydrophobicContact CD2-CD1 4.01Å; L300-Y309 HydrophobicContact CD2-CG 4.46Å
301	I	96	Very high	95.1	Very high	19 Å²	19	44.9 Å²	44.9	10%	0.097	22%	0.221	C	C	.	.			trans	-115.4	106	173.1	-59.9	-178.3	0	0	0	108.7	M124 D128 K131 L132	M124-I301 WeakPolarHBondContact CG-O 3.29Å; M124-I301 HydrophobicContact SD-CB 4.08Å; M124-I301 PolarHBondContact SD-N 2.98Å; D128-I301 HydrophobicContact CB-CB 4.06Å; D128-I301 HydrophobicContact CB-CG2 3.88Å; D128-I301 VanDerWaalsContact CB-O 3.27Å; D128-I301 WeakPolarHBondContact CB-O 3.3Å; K131-I301 HydrophobicContact CB-CD1 3.65Å; K131-I301 HydrophobicContact CD-CG2 4.21Å; L132-I301 VanDerWaalsContact CA-CD1 3.49Å; L132-I301 HydrophobicContact CB-CD1 3.69Å; L132-I301 HydrophobicContact CB-CG1 4.22Å; L132-I301 HydrophobicContact CD1-CD1 4.32Å; L132-I301 HydrophobicContact CD1-CG1 4.4Å; L132-I301 VanDerWaalsContact N-CD1 3.3Å
302	D	92.2	Very high	95.3	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.134	23%	0.232	C	C	.	.	S	Bend	trans	-135.2	9	-172	74.2	-32.2	0	0	0	112.2	L300 N304 H305 L306	L300-D302 HydrophobicContact CD1-CB 4.21Å; L300-D302 HydrophobicContact CG-CB 4.23Å; D302-N304 PolarHBondContact O-N 3.16Å; D302-N304 VanDerWaalsContact O-N 3.07Å; D302-N304 WeakPolarHBondContact OD1-CA 3.44Å; D302-N304 PolarHBondContact OD1-N 2.81Å; D302-N304 WeakPolarHBondContact OD2-CA 3.5Å; D302-H305 WeakPolarHBondContact O-CB 3.31Å; D302-H305 PolarHBondContact O-CD2 2.87Å; D302-H305 VanDerWaalsContact O-CG 3.25Å; D302-H305 PolarHBondContact O-N 2.66Å; D302-H305 VanDerWaalsContact O-N 3.1Å; D302-H305 PolarHBondContact OD2-N 3.25Å; D302-L306 WeakPolarHBondContact OD2-CA 3.43Å; D302-L306 WeakPolarHBondContact OD2-CB 3.33Å; D302-L306 PolarHBondContact OD2-N 3.48Å
303	H	88.6	Confident	95.4	Very high	97 Å²	97	44.5 Å²	44.5	45%	0.449	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	24.7	-171.8	-50.2	88	0	0	0	114.4	D128 K131	D128-H303 IonicContact OD1-CE1 3.86Å; D128-H303 PolarHBondContact OD1-CE1 3.32Å; D128-H303 IonicContact OD1-ND1 3.75Å; D128-H303 IonicContact OD1-NE2 3.48Å; D128-H303 IonicContact OD2-CE1 2.82Å; D128-H303 IonicContact OD2-ND1 3.86Å; K131-H303 PolarHBondContact NZ-CE1 2.85Å; K131-H303 PolarHBondContact NZ-NE2 3.26Å
304	N	86.5	Confident	95.4	Very high	40 Å²	40	44.4 Å²	44.4	21%	0.214	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	36.1	-176.3	-162	49.7	0	0	0	114.1	D302 I338	D302-N304 PolarHBondContact O-N 3.16Å; D302-N304 VanDerWaalsContact O-N 3.07Å; D302-N304 WeakPolarHBondContact OD1-CA 3.44Å; D302-N304 PolarHBondContact OD1-N 2.81Å; D302-N304 WeakPolarHBondContact OD2-CA 3.5Å; N304-I338 WeakPolarHBondContact OD1-CD1 3.27Å
305	H	91.1	Very high	95.4	Very high	156 Å²	156	48 Å²	48	72%	0.722	24%	0.237	S	C	*	.	S	Bend	trans	-75.6	-32.2	171	-71	-51.3	0	0	0	112	D302	D302-H305 WeakPolarHBondContact O-CB 3.31Å; D302-H305 PolarHBondContact O-CD2 2.87Å; D302-H305 VanDerWaalsContact O-CG 3.25Å; D302-H305 PolarHBondContact O-N 2.66Å; D302-H305 VanDerWaalsContact O-N 3.1Å; D302-H305 PolarHBondContact OD2-N 3.25Å
306	L	91.9	Very high	95.3	Very high	70 Å²	70	58.2 Å²	58.2	37%	0.366	28%	0.276	S	S	.	.	S	Bend	trans	-108.9	64.4	-178.9	-58	177.4	0	0	0	110.2	L123 L300 D302 G308 Y309	L123-L306 HydrophobicContact CB-CD1 4.18Å; L123-L306 HydrophobicContact CD1-CD1 4.04Å; L123-L306 HydrophobicContact CD2-CD1 4.32Å; L123-L306 HydrophobicContact CG-CD1 4.41Å; L300-L306 HydrophobicContact CD2-CD1 4.44Å; D302-L306 WeakPolarHBondContact OD2-CA 3.43Å; D302-L306 WeakPolarHBondContact OD2-CB 3.33Å; D302-L306 PolarHBondContact OD2-N 3.48Å; L306-G308 PolarHBondContact O-N 3.06Å; L306-Y309 HydrophobicContact CB-CG 4.4Å; L306-Y309 HydrophobicContact CD1-CD2 4.5Å; L306-Y309 VanDerWaalsContact O-CB 3.28Å; L306-Y309 WeakPolarHBondContact O-CB 3.23Å; L306-Y309 PolarHBondContact O-N 3.45Å
307	K	91.9	Very high	95.2	Very high	155 Å²	155	61.5 Å²	61.5	67%	0.674	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	133.2	-179.1	-62.7	-177.9	-176.7	176	0	111.3	Y309	K307-Y309 PolarHBondContact O-N 2.91Å; K307-Y309 VanDerWaalsContact O-N 3.14Å
308	G	94.2	Very high	95.1	Very high	11 Å²	11	64.3 Å²	64.3	11%	0.113	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	10.9	177.9	0	0	0	0	0	115.4	E225 L306 C310 Y311 N312	E225-G308 WeakPolarHBondContact OE1-CA 3.46Å; E225-G308 PolarHBondContact OE1-N 2.84Å; L306-G308 PolarHBondContact O-N 3.06Å; G308-C310 PolarHBondContact O-N 3.37Å; G308-Y311 PolarHBondContact O-N 2.86Å; G308-N312 WeakPolarHBondContact O-CB 3.5Å; G308-N312 PolarHBondContact O-N 2.95Å; G308-N312 PolarHBondContact O-ND2 3.47Å
309	Y	96.4	Very high	95	Very high	75 Å²	75	64.3 Å²	64.3	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-58	-54.1	-176.1	-179.5	-88.9	0	0	0	112.6	Y120 L123 L300 L306 K307 Y311 N312 Q313	Y120-Y309 HydrophobicContact CD1-CE1 4Å; Y120-Y309 HydrophobicContact CE1-CD1 4.31Å; Y120-Y309 AromaticContact CE1-CE1 3.68Å; Y120-Y309 HydrophobicContact CE1-CE1 3.68Å; L123-Y309 HydrophobicContact CD1-CD1 4.2Å; L123-Y309 HydrophobicContact CD1-CE1 3.58Å; L123-Y309 HydrophobicContact CD1-CE2 4.11Å; L300-Y309 HydrophobicContact CD2-CD1 4.01Å; L300-Y309 HydrophobicContact CD2-CG 4.46Å; L306-Y309 HydrophobicContact CB-CG 4.4Å; L306-Y309 HydrophobicContact CD1-CD2 4.5Å; L306-Y309 VanDerWaalsContact O-CB 3.28Å; L306-Y309 WeakPolarHBondContact O-CB 3.23Å; L306-Y309 PolarHBondContact O-N 3.45Å; K307-Y309 PolarHBondContact O-N 2.91Å; K307-Y309 VanDerWaalsContact O-N 3.14Å; Y309-Y311 VanDerWaalsContact C-N 3.3Å; Y309-Y311 PolarHBondContact O-N 2.92Å; Y309-N312 PolarHBondContact O-N 3.11Å; Y309-Q313 WeakPolarHBondContact O-CB 3.38Å; Y309-Q313 PolarHBondContact O-N 3Å
310	C	96.8	Very high	95	Very high	20 Å²	20	66.8 Å²	66.8	14%	0.135	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-37.7	178.1	-64.1	0	0	0	0	111.9	Y221 G308 Q313 A314	Y221-C310 HydrophobicContact CE1-CB 3.74Å; G308-C310 PolarHBondContact O-N 3.37Å; C310-Q313 PolarHBondContact O-N 3.31Å; C310-A314 WeakPolarHBondContact O-CB 3.17Å; C310-A314 PolarHBondContact O-N 3.23Å
311	Y	97.7	Very high	95.1	Very high	43 Å²	43	65.7 Å²	65.7	17%	0.169	32%	0.322	C	S	.	.	H	α-helix	trans	-63.3	-52.9	177.7	177	-107.4	0	0	0	111.7	C223 E225 G308 Y309 Q313 A314 I315 T321	C223-Y311 HydrophobicContact CB-CD2 3.82Å; C223-Y311 HydrophobicContact CB-CG 4.29Å; C223-Y311 VanDerWaalsContact SG-CA 3.54Å; E225-Y311 HydrophobicContact CB-CD1 4.13Å; E225-Y311 HydrophobicContact CB-CD2 4.38Å; E225-Y311 HydrophobicContact CB-CG 4Å; G308-Y311 PolarHBondContact O-N 2.86Å; Y309-Y311 VanDerWaalsContact C-N 3.3Å; Y309-Y311 PolarHBondContact O-N 2.92Å; Y311-Q313 VanDerWaalsContact C-N 3.27Å; Y311-Q313 PolarHBondContact O-N 3.28Å; Y311-A314 WeakPolarHBondContact O-CB 3.4Å; Y311-A314 PolarHBondContact O-N 3.23Å; Y311-A314 VanDerWaalsContact O-N 3.09Å; Y311-I315 HydrophobicContact CD1-CG1 4.47Å; Y311-I315 HydrophobicContact CD2-CG1 4.35Å; Y311-I315 HydrophobicContact CE1-CG1 4.09Å; Y311-I315 HydrophobicContact CE2-CD1 4.01Å; Y311-I315 HydrophobicContact CE2-CG1 3.95Å; Y311-I315 WeakPolarHBondContact O-CG1 3.37Å; Y311-I315 PolarHBondContact O-N 3.4Å; Y311-T321 HydrophobicContact CD2-CG2 4Å; Y311-T321 HydrophobicContact CE2-CG2 4.05Å
312	N	98.1	Very high	95.2	Very high	99 Å²	99	64.8 Å²	64.8	53%	0.529	32%	0.317	S	S	.	.	H	α-helix	trans	-60.7	-38.6	178.3	-67.7	-22.3	0	0	0	111.6	G308 Y309 R316	G308-N312 WeakPolarHBondContact O-CB 3.5Å; G308-N312 PolarHBondContact O-N 2.95Å; G308-N312 PolarHBondContact O-ND2 3.47Å; Y309-N312 PolarHBondContact O-N 3.11Å; N312-R316 VanDerWaalsContact O-CB 3.29Å; N312-R316 WeakPolarHBondContact O-CB 3.27Å; N312-R316 PolarHBondContact O-N 3.22Å
313	Q	97.5	Very high	95.4	Very high	65 Å²	65	64.6 Å²	64.6	30%	0.304	31%	0.314	S	S	.	.	H	α-helix	trans	-64.6	-41.1	175.2	-175.5	61	61.2	0	0	112	Y309 C310 Y311 N317	Y309-Q313 WeakPolarHBondContact O-CB 3.38Å; Y309-Q313 PolarHBondContact O-N 3Å; C310-Q313 PolarHBondContact O-N 3.31Å; Y311-Q313 VanDerWaalsContact C-N 3.27Å; Y311-Q313 PolarHBondContact O-N 3.28Å; Q313-N317 PolarHBondContact NE2-ND2 3.47Å; Q313-N317 PolarHBondContact NE2-OD1 3Å; Q313-N317 VanDerWaalsContact NE2-OD1 3.09Å; Q313-N317 WeakPolarHBondContact O-CB 3.44Å; Q313-N317 VanDerWaalsContact O-CG 3.26Å; Q313-N317 PolarHBondContact O-N 2.95Å; Q313-N317 VanDerWaalsContact O-N 3.1Å; Q313-N317 PolarHBondContact O-ND2 3.4Å
314	A	97.9	Very high	95.7	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-65.3	-46.6	177.1	0	0	0	0	0	111.7	Y221 C310 Y311 R316 N317 G318 Y319 T321	Y221-A314 HydrophobicContact CD2-CB 4.21Å; Y221-A314 HydrophobicContact CG-CB 3.94Å; C310-A314 WeakPolarHBondContact O-CB 3.17Å; C310-A314 PolarHBondContact O-N 3.23Å; Y311-A314 WeakPolarHBondContact O-CB 3.4Å; Y311-A314 PolarHBondContact O-N 3.23Å; Y311-A314 VanDerWaalsContact O-N 3.09Å; A314-R316 PolarHBondContact O-N 2.89Å; A314-N317 CarbonylContact O-C 3.57Å; A314-N317 PolarHBondContact O-N 2.9Å; A314-G318 PolarHBondContact O-N 3.42Å; A314-Y319 HydrophobicContact CB-CD2 4.29Å; A314-Y319 PolarHBondContact O-N 2.85Å; A314-T321 HydrophobicContact CB-CG2 3.79Å
315	I	97.5	Very high	96.1	Very high	85 Å²	85	59 Å²	59	44%	0.436	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-46.1	176	-63.7	-60.1	0	0	0	111	Y311 N317 G318 T321	Y311-I315 HydrophobicContact CD1-CG1 4.47Å; Y311-I315 HydrophobicContact CD2-CG1 4.35Å; Y311-I315 HydrophobicContact CE1-CG1 4.09Å; Y311-I315 HydrophobicContact CE2-CD1 4.01Å; Y311-I315 HydrophobicContact CE2-CG1 3.95Å; Y311-I315 WeakPolarHBondContact O-CG1 3.37Å; Y311-I315 PolarHBondContact O-N 3.4Å; I315-N317 PolarHBondContact O-N 3.15Å; I315-G318 PolarHBondContact O-N 3.39Å; I315-T321 HydrophobicContact CD1-CG2 3.95Å; I315-T321 HydrophobicContact CG1-CG2 4.49Å
316	R	97.5	Very high	96.1	Very high	214 Å²	214	52.5 Å²	52.5	81%	0.808	26%	0.258	S	S	*	.	H	α-helix	trans	-59.9	-33.7	177.6	179.7	175.4	176.4	160.3	1.5	112.9	N312 A314 G318	N312-R316 VanDerWaalsContact O-CB 3.29Å; N312-R316 WeakPolarHBondContact O-CB 3.27Å; N312-R316 PolarHBondContact O-N 3.22Å; A314-R316 PolarHBondContact O-N 2.89Å; R316-G318 VanDerWaalsContact C-N 3.29Å
317	N	96.6	Very high	95.9	Very high	69 Å²	69	55.5 Å²	55.5	37%	0.369	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	1.8	178.1	-69	-14.2	0	0	0	113.3	Q313 A314 I315 Y319	Q313-N317 PolarHBondContact NE2-ND2 3.47Å; Q313-N317 PolarHBondContact NE2-OD1 3Å; Q313-N317 VanDerWaalsContact NE2-OD1 3.09Å; Q313-N317 WeakPolarHBondContact O-CB 3.44Å; Q313-N317 VanDerWaalsContact O-CG 3.26Å; Q313-N317 PolarHBondContact O-N 2.95Å; Q313-N317 VanDerWaalsContact O-N 3.1Å; Q313-N317 PolarHBondContact O-ND2 3.4Å; A314-N317 CarbonylContact O-C 3.57Å; A314-N317 PolarHBondContact O-N 2.9Å; I315-N317 PolarHBondContact O-N 3.15Å; N317-Y319 VanDerWaalsContact C-N 3.32Å; N317-Y319 HydrophobicContact CB-CD1 4.26Å; N317-Y319 HydrophobicContact CB-CD2 3.84Å; N317-Y319 HydrophobicContact CB-CE1 3.93Å; N317-Y319 HydrophobicContact CB-CE2 3.49Å; N317-Y319 VanDerWaalsContact CB-CE2 3.49Å; N317-Y319 HydrophobicContact CB-CG 4.2Å; N317-Y319 PolarHBondContact O-N 3.1Å
318	G	96	Very high	95.8	Very high	62 Å²	62	51.4 Å²	51.4	64%	0.639	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	22.5	-179.9	0	0	0	0	0	114.2	A314 I315 R316	A314-G318 PolarHBondContact O-N 3.42Å; I315-G318 PolarHBondContact O-N 3.39Å; R316-G318 VanDerWaalsContact C-N 3.29Å
319	Y	97.3	Very high	95.4	Very high	18 Å²	18	52.3 Å²	52.3	7%	0.071	25%	0.254	C	S	.	.			trans	-81.9	147.1	177.3	-55.3	-31.1	0	0	0	111.3	F210 T211 A216 I219 A314 N317	F210-Y319 HydrophobicContact CE2-CD2 4.38Å; F210-Y319 AromaticContact CE2-CE2 3.81Å; F210-Y319 HydrophobicContact CE2-CE2 3.81Å; F210-Y319 AromaticContact CZ-CE2 3.99Å; F210-Y319 HydrophobicContact CZ-CE2 3.99Å; T211-Y319 WeakPolarHBondContact CG2-OH 3Å; T211-Y319 PolarHBondContact OG1-OH 3.31Å; A216-Y319 HydrophobicContact CB-CD1 4.25Å; A216-Y319 HydrophobicContact CB-CE1 4.05Å; I219-Y319 HydrophobicContact CB-CD1 4.22Å; I219-Y319 HydrophobicContact CB-CG 4.35Å; I219-Y319 HydrophobicContact CD1-CD1 4.15Å; I219-Y319 HydrophobicContact CD1-CE1 3.88Å; I219-Y319 HydrophobicContact CG2-CD1 4.19Å; I219-Y319 HydrophobicContact CG2-CD2 4.12Å; I219-Y319 HydrophobicContact CG2-CG 3.86Å; A314-Y319 HydrophobicContact CB-CD2 4.29Å; A314-Y319 PolarHBondContact O-N 2.85Å; N317-Y319 VanDerWaalsContact C-N 3.32Å; N317-Y319 HydrophobicContact CB-CD1 4.26Å; N317-Y319 HydrophobicContact CB-CD2 3.84Å; N317-Y319 HydrophobicContact CB-CE1 3.93Å; N317-Y319 HydrophobicContact CB-CE2 3.49Å; N317-Y319 VanDerWaalsContact CB-CE2 3.49Å; N317-Y319 HydrophobicContact CB-CG 4.2Å; N317-Y319 PolarHBondContact O-N 3.1Å
320	R	97.5	Very high	94.6	Very high	52 Å²	52	55.5 Å²	55.5	20%	0.196	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	144.9	167.4	-62.5	167.6	59.8	-152.6	-1.9	108.3	I219 V220 Y221 H288 F289 D293	I219-R320 WeakPolarHBondContact O-CB 3.45Å; I219-R320 PolarHBondContact O-N 3.38Å; V220-R320 CarbonylContact C-O 3.59Å; V220-R320 WeakPolarHBondContact CA-O 3.36Å; V220-R320 HydrophobicContact CG2-CB 4.38Å; Y221-R320 PolarHBondContact N-O 3.17Å; H288-R320 PolarHBondContact O-NH2 2.95Å; F289-R320 VanDerWaalsContact CE1-NH2 3.26Å; D293-R320 VanDerWaalsContact CG-NH1 3.33Å; D293-R320 IonicContact OD1-NH1 2.78Å; D293-R320 PolarHBondContact OD1-NH1 3.06Å; D293-R320 IonicContact OD2-CZ 2.9Å; D293-R320 IonicContact OD2-NH1 3.99Å; D293-R320 PolarHBondContact OD2-NH1 2.92Å; D293-R320 VanDerWaalsContact OD2-NH1 3.11Å; D293-R320 IonicContact OD2-NH2 3.81Å
321	T	97.7	Very high	93.8	Very high	4 Å²	4	55.7 Å²	55.7	3%	0.025	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.2	175.1	63.5	0	0	0	0	109.9	Y221 S226 Y311 A314 I315	Y221-T321 VanDerWaalsContact O-CA 3.26Å; Y221-T321 WeakPolarHBondContact O-CA 3.4Å; S226-T321 WeakPolarHBondContact OG-CB 3.32Å; S226-T321 PolarHBondContact OG-O 2.72Å; S226-T321 PolarHBondContact OG-OG1 3.45Å; Y311-T321 HydrophobicContact CD2-CG2 4Å; Y311-T321 HydrophobicContact CE2-CG2 4.05Å; A314-T321 HydrophobicContact CB-CG2 3.79Å; I315-T321 HydrophobicContact CD1-CG2 3.95Å; I315-T321 HydrophobicContact CG1-CG2 4.49Å
322	A	97.5	Very high	92.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	161.4	172.3	0	0	0	0	0	110.9	V220 Y221 L222 C223 S226 Y228 L230 F289	V220-A322 HydrophobicContact CG1-CB 3.79Å; Y221-A322 PolarHBondContact O-N 2.91Å; Y221-A322 VanDerWaalsContact O-N 3.16Å; L222-A322 CarbonylContact C-O 3.53Å; L222-A322 VanDerWaalsContact CA-O 3.26Å; L222-A322 WeakPolarHBondContact CA-O 3.45Å; L222-A322 HydrophobicContact CD2-CB 4.01Å; C223-A322 PolarHBondContact N-O 2.86Å; S226-A322 VanDerWaalsContact CB-C 3.5Å; S226-A322 WeakPolarHBondContact OG-CA 3.49Å; S226-A322 PolarHBondContact OG-N 3.34Å; Y228-A322 CarbonylContact O-C 3.42Å; Y228-A322 VanDerWaalsContact O-CA 3.23Å; Y228-A322 WeakPolarHBondContact O-CA 3.37Å; L230-A322 HydrophobicContact CD2-CB 3.53Å; L230-A322 HydrophobicContact CG-CB 3.86Å; F289-A322 HydrophobicContact CD1-CB 4.41Å; F289-A322 HydrophobicContact CE1-CB 3.79Å; F289-A322 HydrophobicContact CE2-CB 4.09Å; F289-A322 HydrophobicContact CZ-CB 3.59Å
323	R	96.2	Very high	92.1	Very high	21 Å²	21	54.8 Å²	54.8	8%	0.079	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-123.2	159.9	170.2	66.2	176.1	170.7	82.2	1	111.4	C223 S226 Y228 T229 L230 E328	C223-R323 VanDerWaalsContact O-CB 3.22Å; C223-R323 WeakPolarHBondContact O-CB 3.49Å; S226-R323 WeakPolarHBondContact O-CD 3.45Å; S226-R323 PolarHBondContact O-NE 2.99Å; S226-R323 VanDerWaalsContact O-NE 3.16Å; Y228-R323 WeakPolarHBondContact O-CG 3.42Å; Y228-R323 PolarHBondContact O-N 3.25Å; T229-R323 PolarHBondContact OG1-NH1 2.97Å; T229-R323 PolarHBondContact OG1-NH2 2.72Å; T229-R323 VanDerWaalsContact OG1-NH2 3.11Å; L230-R323 PolarHBondContact N-O 2.98Å; R323-E328 IonicContact CZ-OE1 3.57Å; R323-E328 IonicContact CZ-OE2 3.2Å; R323-E328 IonicContact NH1-OE1 2.74Å; R323-E328 PolarHBondContact NH1-OE1 3.03Å; R323-E328 IonicContact NH1-OE2 3.69Å; R323-E328 PolarHBondContact NH1-OE2 2.96Å; R323-E328 IonicContact NH2-OE1 3.73Å; R323-E328 PolarHBondContact NH2-OE1 2.93Å; R323-E328 IonicContact NH2-OE2 2.65Å
324	L	96	Very high	91.1	Very high	14 Å²	14	56.6 Å²	56.6	7%	0.073	28%	0.28	C	S	.	.			trans	-68.7	147.2	170.8	-78.8	65	0	0	0	109.9	L222 L230 I326 L339 V344 W358 L362	L222-L324 HydrophobicContact CD1-CD1 4.39Å; L230-L324 HydrophobicContact CD1-CD1 4.37Å; L324-I326 HydrophobicContact CB-CD1 4.34Å; L324-I326 HydrophobicContact CB-CG1 4.01Å; L324-I326 PolarHBondContact O-N 3.41Å; L324-L339 HydrophobicContact CD2-CD1 4.4Å; L324-V344 HydrophobicContact CD1-CG1 4.03Å; L324-W358 HydrophobicContact CB-CZ3 4.34Å; L324-W358 HydrophobicContact CD2-CH2 4.4Å; L324-W358 HydrophobicContact CD2-CZ3 3.77Å; L324-W358 HydrophobicContact CG-CE3 4.46Å; L324-W358 HydrophobicContact CG-CH2 3.81Å; L324-W358 HydrophobicContact CG-CZ3 3.59Å; L324-L362 HydrophobicContact CD2-CD2 4.26Å
325	P	94.4	Very high	90.4	Very high	6 Å²	6	59.3 Å²	59.3	4%	0.039	31%	0.309	C	S	.	.	S	Bend	trans	-72.8	44.1	-179.9	27.9	-34.5	0	0	0	114.4	T229 K327 E328 I329 W358	T229-P325 VanDerWaalsContact CG2-CA 3.5Å; T229-P325 HydrophobicContact CG2-CB 3.53Å; T229-P325 HydrophobicContact CG2-CG 4.41Å; P325-K327 VanDerWaalsContact C-N 3.34Å; P325-K327 PolarHBondContact O-N 3.2Å; P325-E328 WeakPolarHBondContact CA-OE2 3.18Å; P325-E328 HydrophobicContact CB-CB 4.08Å; P325-E328 PolarHBondContact O-N 3.09Å; P325-I329 HydrophobicContact CB-CD1 3.89Å; P325-I329 HydrophobicContact CB-CG1 4.23Å; P325-I329 HydrophobicContact CG-CD1 3.64Å; P325-I329 HydrophobicContact CG-CG1 4.48Å; P325-I329 WeakPolarHBondContact O-CB 3.4Å; P325-I329 WeakPolarHBondContact O-CD1 3.43Å; P325-I329 VanDerWaalsContact O-CG1 3.22Å; P325-I329 WeakPolarHBondContact O-CG1 3.44Å; P325-I329 PolarHBondContact O-N 3.2Å; P325-I329 VanDerWaalsContact O-N 3.14Å; P325-W358 HydrophobicContact CG-CB 3.88Å; P325-W358 HydrophobicContact CG-CD2 3.56Å; P325-W358 HydrophobicContact CG-CE3 4.22Å; P325-W358 HydrophobicContact CG-CG 3.39Å
326	I	91.6	Very high	89.8	Confident	18 Å²	18	63.1 Å²	63.1	9%	0.092	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-38.8	-175	-64.8	175.9	0	0	0	111.8	L324 I333 L337 L339 L362	L324-I326 HydrophobicContact CB-CD1 4.34Å; L324-I326 HydrophobicContact CB-CG1 4.01Å; L324-I326 PolarHBondContact O-N 3.41Å; I326-I333 HydrophobicContact CG2-CD1 3.43Å; I326-I333 VanDerWaalsContact CG2-CD1 3.43Å; I326-L337 HydrophobicContact CG2-CD2 4.07Å; I326-L339 HydrophobicContact CD1-CD1 3.72Å; I326-L339 HydrophobicContact CD1-CG 3.94Å; I326-L362 HydrophobicContact CG1-CD1 4.37Å; I326-L362 HydrophobicContact CG1-CD2 4.08Å
327	K	88.2	Confident	89.2	Confident	133 Å²	133	56.1 Å²	56.1	58%	0.578	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-35.6	-179	-64.9	178.5	-179.2	174.6	0	111.1	P325 Q330 L337	P325-K327 VanDerWaalsContact C-N 3.34Å; P325-K327 PolarHBondContact O-N 3.2Å; K327-Q330 PolarHBondContact O-N 3.07Å; K327-Q330 PolarHBondContact O-NE2 3.34Å; K327-L337 HydrophobicContact CG-CD1 4.19Å
328	E	89.1	Confident	88.8	Confident	70 Å²	70	56.4 Å²	56.4	33%	0.327	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-26.7	-174.7	-67.3	69.2	-156.1	0	0	112.5	T229 R323 P325 Q330	T229-E328 HydrophobicContact CG2-CG 4.4Å; R323-E328 IonicContact CZ-OE1 3.57Å; R323-E328 IonicContact CZ-OE2 3.2Å; R323-E328 IonicContact NH1-OE1 2.74Å; R323-E328 PolarHBondContact NH1-OE1 3.03Å; R323-E328 IonicContact NH1-OE2 3.69Å; R323-E328 PolarHBondContact NH1-OE2 2.96Å; R323-E328 IonicContact NH2-OE1 3.73Å; R323-E328 PolarHBondContact NH2-OE1 2.93Å; R323-E328 IonicContact NH2-OE2 2.65Å; P325-E328 WeakPolarHBondContact CA-OE2 3.18Å; P325-E328 HydrophobicContact CB-CB 4.08Å; P325-E328 PolarHBondContact O-N 3.09Å; E328-Q330 VanDerWaalsContact C-N 3.29Å; E328-Q330 VanDerWaalsContact C-NE2 3.32Å; E328-Q330 PolarHBondContact O-NE2 3.49Å; E328-Q330 PolarHBondContact O-OE1 2.92Å
329	I	86.4	Confident	88.7	Confident	30 Å²	30	54.4 Å²	54.4	15%	0.154	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	0.3	-179	-67.1	169	0	0	0	111.8	P325 L331 W358 L359 L362	P325-I329 HydrophobicContact CB-CD1 3.89Å; P325-I329 HydrophobicContact CB-CG1 4.23Å; P325-I329 HydrophobicContact CG-CD1 3.64Å; P325-I329 HydrophobicContact CG-CG1 4.48Å; P325-I329 WeakPolarHBondContact O-CB 3.4Å; P325-I329 WeakPolarHBondContact O-CD1 3.43Å; P325-I329 VanDerWaalsContact O-CG1 3.22Å; P325-I329 WeakPolarHBondContact O-CG1 3.44Å; P325-I329 PolarHBondContact O-N 3.2Å; P325-I329 VanDerWaalsContact O-N 3.14Å; I329-L331 HydrophobicContact CG2-CD1 3.97Å; I329-L331 HydrophobicContact CG2-CG 3.97Å; I329-L331 PolarHBondContact O-N 3.08Å; I329-L331 VanDerWaalsContact O-N 3.09Å; I329-W358 HydrophobicContact CD1-CB 3.17Å; I329-W358 HydrophobicContact CD1-CG 4.13Å; I329-L359 HydrophobicContact CG2-CB 3.87Å; I329-L359 HydrophobicContact CG2-CD1 3.43Å; I329-L359 VanDerWaalsContact CG2-CD1 3.43Å; I329-L359 HydrophobicContact CG2-CG 4.22Å; I329-L362 HydrophobicContact CD1-CD1 3.75Å
330	Q	79.1	Confident	88.6	Confident	142 Å²	142	55.4 Å²	55.4	66%	0.664	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	34.2	-177.9	-68	76.5	48.4	0	0	113.4	K327 E328 N332	K327-Q330 PolarHBondContact O-N 3.07Å; K327-Q330 PolarHBondContact O-NE2 3.34Å; E328-Q330 VanDerWaalsContact C-N 3.29Å; E328-Q330 VanDerWaalsContact C-NE2 3.32Å; E328-Q330 PolarHBondContact O-NE2 3.49Å; E328-Q330 PolarHBondContact O-OE1 2.92Å; Q330-N332 PolarHBondContact O-N 3.05Å
331	L	79	Confident	88.6	Confident	23 Å²	23	53.3 Å²	53.3	12%	0.12	27%	0.273	C	S	.	.			trans	-74.5	110.2	167.3	-77.4	168.3	0	0	0	108.7	I329 I333 L359 L362 K363 L371	I329-L331 HydrophobicContact CG2-CD1 3.97Å; I329-L331 HydrophobicContact CG2-CG 3.97Å; I329-L331 PolarHBondContact O-N 3.08Å; I329-L331 VanDerWaalsContact O-N 3.09Å; L331-I333 VanDerWaalsContact C-N 3.32Å; L331-I333 HydrophobicContact CB-CG1 4.31Å; L331-I333 PolarHBondContact O-N 3.25Å; L331-L359 HydrophobicContact CD1-CD1 4.46Å; L331-L359 HydrophobicContact CD2-CD1 4.17Å; L331-L359 HydrophobicContact CG-CD1 4.3Å; L331-L362 HydrophobicContact CD1-CB 3.46Å; L331-L362 VanDerWaalsContact CD1-CB 3.46Å; L331-L362 HydrophobicContact CD1-CD1 4.09Å; L331-L362 HydrophobicContact CD1-CG 4.39Å; L331-K363 HydrophobicContact CD1-CG 4.45Å; L331-K363 HydrophobicContact CD2-CD 4.39Å; L331-K363 HydrophobicContact CD2-CG 3.71Å; L331-L371 HydrophobicContact CD2-CD2 4.41Å
332	N	79.7	Confident	88.6	Confident	105 Å²	105	54.1 Å²	54.1	56%	0.561	28%	0.278	S	S	*	.			trans	-70.3	88	175.1	-67.8	-34.6	0	0	0	110.1	Q330 I372	Q330-N332 PolarHBondContact O-N 3.05Å; N332-I372 HydrophobicContact CB-CB 3.82Å; N332-I372 HydrophobicContact CB-CD1 4.32Å; N332-I372 HydrophobicContact CB-CG1 4.38Å; N332-I372 PolarHBondContact O-N 3.33Å
333	I	80.4	Confident	88.6	Confident	18 Å²	18	55.9 Å²	55.9	9%	0.092	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-89.9	121.4	176.8	-58.8	172.6	0	0	0	109.2	I326 L331 G335 L337 I366 K370	I326-I333 HydrophobicContact CG2-CD1 3.43Å; I326-I333 VanDerWaalsContact CG2-CD1 3.43Å; L331-I333 VanDerWaalsContact C-N 3.32Å; L331-I333 HydrophobicContact CB-CG1 4.31Å; L331-I333 PolarHBondContact O-N 3.25Å; I333-G335 PolarHBondContact O-N 2.91Å; I333-L337 HydrophobicContact CB-CD2 4.16Å; I333-L337 HydrophobicContact CD1-CD2 4.49Å; I333-I366 HydrophobicContact CD1-CD1 3.4Å; I333-I366 VanDerWaalsContact CD1-CD1 3.4Å; I333-I366 HydrophobicContact CG1-CD1 4.05Å; I333-K370 CarbonylContact C-O 3.53Å; I333-K370 WeakPolarHBondContact CA-O 3.46Å; I333-K370 HydrophobicContact CG2-CB 4.35Å
334	N	77.4	Confident	88.6	Confident	103 Å²	103	55.9 Å²	55.9	55%	0.551	29%	0.288	S	S	*	.			trans	-72.4	127.6	174.4	-152.7	-7.3	0	0	0	111.1	K370 I372	N334-K370 PolarHBondContact N-O 3.24Å; N334-I372 HydrophobicContact CB-CD1 4.02Å; N334-I372 HydrophobicContact CB-CG1 3.83Å
335	G	82.4	Confident	88.8	Confident	59 Å²	59	55.2 Å²	55.2	61%	0.608	29%	0.285	S	S	*	.	S	Bend	trans	86.3	-142.8	178.2	0	0	0	0	0	114.4	I333	I333-G335 PolarHBondContact O-N 2.91Å
336	R	84.8	Confident	88.9	Confident	165 Å²	165	56.6 Å²	56.6	62%	0.623	29%	0.291	S	S	*	.			trans	-74.7	133.7	-172.6	-62.9	178.4	-171.6	150.8	1.8	111.4	I338	R336-I338 VanDerWaalsContact C-N 3.27Å
337	L	85.3	Confident	89.2	Confident	67 Å²	67	55.8 Å²	55.8	35%	0.351	29%	0.286	S	S	.	.			trans	-76.1	-13.6	173.7	-57.3	-179.2	0	0	0	113.4	I326 K327 I333 L339	I326-L337 HydrophobicContact CG2-CD2 4.07Å; K327-L337 HydrophobicContact CG-CD1 4.19Å; I333-L337 HydrophobicContact CB-CD2 4.16Å; I333-L337 HydrophobicContact CD1-CD2 4.49Å; L337-L339 PolarHBondContact O-N 3.24Å
338	I	89.6	Confident	89.7	Confident	74 Å²	74	49.4 Å²	49.4	38%	0.379	26%	0.259	S	S	.	.			trans	-68.9	114.1	173.7	-59.2	173.6	0	0	0	108.7	A224 N304 R336	A224-I338 HydrophobicContact CB-CG1 4.13Å; N304-I338 WeakPolarHBondContact OD1-CD1 3.27Å; R336-I338 VanDerWaalsContact C-N 3.27Å
339	L	92.7	Very high	90.1	Very high	21 Å²	21	46.1 Å²	46.1	11%	0.11	24%	0.243	C	C	.	.			trans	-86.7	156.5	177.4	-61.7	-174.1	0	0	0	110.8	L324 I326 L337 H343 V344 L362	L324-L339 HydrophobicContact CD2-CD1 4.4Å; I326-L339 HydrophobicContact CD1-CD1 3.72Å; I326-L339 HydrophobicContact CD1-CG 3.94Å; L337-L339 PolarHBondContact O-N 3.24Å; L339-H343 HydrophobicContact CB-CB 4.05Å; L339-H343 HydrophobicContact CD1-CB 4.37Å; L339-V344 HydrophobicContact CB-CG2 3.79Å; L339-L362 HydrophobicContact CD1-CD2 4.38Å
340	S	95	Very high	90.6	Very high	39 Å²	39	45.1 Å²	45.1	27%	0.273	24%	0.239	S	C	.	.			trans	-75	156.3	172.6	62.1	0	0	0	0	110.5	L342 H343 V344	S340-L342 PolarHBondContact O-N 2.89Å; S340-L342 VanDerWaalsContact O-N 3.08Å; S340-H343 PolarHBondContact O-N 3.11Å; S340-H343 PolarHBondContact OG-ND1 3.15Å; S340-H343 VanDerWaalsContact OG-ND1 3.09Å; S340-V344 PolarHBondContact O-N 2.87Å
341	T	97.5	Very high	91.5	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.043	21%	0.21	C	C	.	.	H	α-helix	trans	-44.6	-45.1	175.9	-50.2	0	0	0	0	112.2	I116 Q135 I297 G298 V344 F345	I116-T341 HydrophobicContact CG2-CG2 3.87Å; Q135-T341 VanDerWaalsContact OE1-N 3.17Å; I297-T341 HydrophobicContact CG2-CG2 3.85Å; G298-T341 PolarHBondContact O-OG1 3.48Å; T341-V344 PolarHBondContact O-N 3.28Å; T341-F345 WeakPolarHBondContact O-CB 3.42Å; T341-F345 PolarHBondContact O-N 3.09Å
342	L	97.7	Very high	92.3	Very high	22 Å²	22	37.8 Å²	37.8	12%	0.115	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-44.6	176.3	176.8	61.5	0	0	0	113.5	Q135 N138 S340 F345 Q346	Q135-L342 HydrophobicContact CB-CB 4.09Å; Q135-L342 HydrophobicContact CG-CB 4.04Å; N138-L342 HydrophobicContact CB-CD1 3.68Å; N138-L342 HydrophobicContact CB-CD2 3.81Å; N138-L342 HydrophobicContact CB-CG 4.39Å; S340-L342 PolarHBondContact O-N 2.89Å; S340-L342 VanDerWaalsContact O-N 3.08Å; L342-F345 PolarHBondContact O-N 3.35Å; L342-Q346 HydrophobicContact CD1-CG 3.89Å; L342-Q346 HydrophobicContact CG-CG 4.33Å; L342-Q346 WeakPolarHBondContact O-CB 3.46Å; L342-Q346 VanDerWaalsContact O-CG 3.26Å; L342-Q346 WeakPolarHBondContact O-CG 3.44Å; L342-Q346 PolarHBondContact O-N 3.36Å
343	H	96.9	Very high	93.1	Very high	37 Å²	37	33.6 Å²	33.6	17%	0.171	18%	0.182	C	C	.	.	H	α-helix	trans	-72.4	-37	-178.5	-67.2	146.7	0	0	0	111	L339 S340 F345 Q346 S347 T365	L339-H343 HydrophobicContact CB-CB 4.05Å; L339-H343 HydrophobicContact CD1-CB 4.37Å; S340-H343 PolarHBondContact O-N 3.11Å; S340-H343 PolarHBondContact OG-ND1 3.15Å; S340-H343 VanDerWaalsContact OG-ND1 3.09Å; H343-F345 VanDerWaalsContact C-N 3.3Å; H343-F345 PolarHBondContact O-N 2.87Å; H343-Q346 PolarHBondContact O-N 3.43Å; H343-S347 VanDerWaalsContact O-CB 3.31Å; H343-S347 WeakPolarHBondContact O-CB 3.43Å; H343-S347 PolarHBondContact O-N 3Å; H343-S347 PolarHBondContact O-OG 3.33Å; H343-T365 HydrophobicContact CB-CG2 3.72Å; H343-T365 WeakPolarHBondContact O-CG2 3.45Å
344	V	98	Very high	93.7	Very high	21 Å²	21	35.9 Å²	35.9	13%	0.127	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-47.7	171.9	179.3	0	0	0	0	109.8	L222 I297 L324 L339 S340 T341 S347 L348	L222-V344 HydrophobicContact CD1-CG1 4.17Å; I297-V344 HydrophobicContact CD1-CB 4.38Å; I297-V344 HydrophobicContact CD1-CG1 3.85Å; I297-V344 HydrophobicContact CG1-CG1 3.89Å; I297-V344 HydrophobicContact CG2-CB 4.12Å; I297-V344 HydrophobicContact CG2-CG1 4.02Å; L324-V344 HydrophobicContact CD1-CG1 4.03Å; L339-V344 HydrophobicContact CB-CG2 3.79Å; S340-V344 PolarHBondContact O-N 2.87Å; T341-V344 PolarHBondContact O-N 3.28Å; V344-S347 PolarHBondContact O-N 2.94Å; V344-L348 WeakPolarHBondContact O-CB 3.32Å; V344-L348 PolarHBondContact O-N 3.22Å
345	F	98.7	Very high	94.6	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.5	-48.2	178.1	-172	-93.2	0	0	0	112.7	V114 C139 F142 N143 V150 L152 I297 T341 L342 H343 S347 L348 C349	V114-F345 HydrophobicContact CB-CE2 4.27Å; V114-F345 HydrophobicContact CG1-CD2 3.87Å; V114-F345 HydrophobicContact CG1-CE2 3.78Å; C139-F345 HydrophobicContact CB-CB 4.44Å; C139-F345 HydrophobicContact CB-CD1 3.63Å; C139-F345 HydrophobicContact CB-CD2 4.3Å; C139-F345 HydrophobicContact CB-CE1 3.88Å; C139-F345 HydrophobicContact CB-CG 3.85Å; C139-F345 HydrophobicContact CB-CZ 4.34Å; C139-F345 VanDerWaalsContact O-CE1 3.27Å; C139-F345 WeakPolarHBondContact O-CE1 3.35Å; F142-F345 HydrophobicContact CD1-CD1 4.17Å; F142-F345 HydrophobicContact CD1-CE1 4.05Å; N143-F345 HydrophobicContact CB-CE1 3.98Å; N143-F345 HydrophobicContact CB-CZ 3.92Å; V150-F345 HydrophobicContact CG2-CE2 4.23Å; V150-F345 HydrophobicContact CG2-CZ 4.06Å; L152-F345 HydrophobicContact CD1-CD2 4.45Å; L152-F345 HydrophobicContact CD1-CE2 3.6Å; L152-F345 HydrophobicContact CD1-CZ 4.08Å; L152-F345 HydrophobicContact CD2-CE2 4.49Å; L152-F345 HydrophobicContact CD2-CZ 4.18Å; I297-F345 HydrophobicContact CD1-CB 3.99Å; I297-F345 HydrophobicContact CD1-CD2 4Å; T341-F345 WeakPolarHBondContact O-CB 3.42Å; T341-F345 PolarHBondContact O-N 3.09Å; L342-F345 PolarHBondContact O-N 3.35Å; H343-F345 VanDerWaalsContact C-N 3.3Å; H343-F345 PolarHBondContact O-N 2.87Å; F345-S347 VanDerWaalsContact C-N 3.28Å; F345-S347 PolarHBondContact O-N 3.28Å; F345-L348 PolarHBondContact O-N 3.29Å; F345-C349 WeakPolarHBondContact CE2-SG 3.42Å; F345-C349 WeakPolarHBondContact CZ-SG 3.18Å; F345-C349 WeakPolarHBondContact O-CB 3.4Å; F345-C349 PolarHBondContact O-N 2.89Å; F345-C349 PolarHBondContact O-SG 3.25Å
346	Q	98.2	Very high	95.2	Very high	35 Å²	35	34 Å²	34	16%	0.164	19%	0.188	C	C	.	.	H	α-helix	trans	-64.9	-30.9	179.6	-75.1	178.9	-46.5	0	0	113.1	F142 L342 H343 P350 S361 T365	F142-Q346 HydrophobicContact CD1-CG 4.01Å; F142-Q346 HydrophobicContact CD2-CG 3.95Å; F142-Q346 HydrophobicContact CE1-CB 4.32Å; F142-Q346 HydrophobicContact CE1-CG 4.11Å; F142-Q346 HydrophobicContact CE2-CG 4.06Å; F142-Q346 HydrophobicContact CG-CG 3.92Å; F142-Q346 HydrophobicContact CZ-CB 4.24Å; F142-Q346 HydrophobicContact CZ-CG 4.13Å; L342-Q346 HydrophobicContact CD1-CG 3.89Å; L342-Q346 HydrophobicContact CG-CG 4.33Å; L342-Q346 WeakPolarHBondContact O-CB 3.46Å; L342-Q346 VanDerWaalsContact O-CG 3.26Å; L342-Q346 WeakPolarHBondContact O-CG 3.44Å; L342-Q346 PolarHBondContact O-N 3.36Å; H343-Q346 PolarHBondContact O-N 3.43Å; Q346-P350 WeakPolarHBondContact O-CD 3.48Å; Q346-P350 VanDerWaalsContact O-CG 3.31Å; Q346-P350 WeakPolarHBondContact O-CG 3.44Å; Q346-S361 PolarHBondContact O-OG 3.26Å; Q346-T365 VanDerWaalsContact C-OG1 3.32Å; Q346-T365 HydrophobicContact CB-CG2 3.56Å; Q346-T365 PolarHBondContact O-OG1 2.86Å
347	S	97.6	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-80	-34.9	175.6	-61.6	0	0	0	0	112.5	H343 V344 F345 V351 W358 S361 T365	H343-S347 VanDerWaalsContact O-CB 3.31Å; H343-S347 WeakPolarHBondContact O-CB 3.43Å; H343-S347 PolarHBondContact O-N 3Å; H343-S347 PolarHBondContact O-OG 3.33Å; V344-S347 PolarHBondContact O-N 2.94Å; F345-S347 VanDerWaalsContact C-N 3.28Å; F345-S347 PolarHBondContact O-N 3.28Å; S347-V351 WeakPolarHBondContact O-CG2 3.34Å; S347-W358 WeakPolarHBondContact O-CZ3 3.42Å; S347-S361 VanDerWaalsContact C-OG 3.27Å; S347-S361 VanDerWaalsContact CA-OG 3.24Å; S347-S361 WeakPolarHBondContact CA-OG 3.27Å; S347-S361 PolarHBondContact O-OG 3.38Å; S347-T365 PolarHBondContact N-OG1 2.73Å; S347-T365 VanDerWaalsContact OG-CB 3.26Å; S347-T365 WeakPolarHBondContact OG-CB 3.33Å; S347-T365 WeakPolarHBondContact OG-CG2 3.41Å; S347-T365 PolarHBondContact OG-OG1 3.29Å
348	L	98.2	Very high	96.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-75.9	-49.4	-177.4	178.5	70.5	0	0	0	112.6	V114 L222 L230 I297 V344 F345 V351 L352 W358	V114-L348 HydrophobicContact CG1-CD2 4.05Å; V114-L348 HydrophobicContact CG2-CD2 4.16Å; L222-L348 HydrophobicContact CD1-CD1 4.13Å; L222-L348 HydrophobicContact CD1-CD2 3.57Å; L222-L348 HydrophobicContact CD1-CG 4.39Å; L230-L348 HydrophobicContact CD1-CD1 3.86Å; I297-L348 HydrophobicContact CD1-CD2 4.19Å; V344-L348 WeakPolarHBondContact O-CB 3.32Å; V344-L348 PolarHBondContact O-N 3.22Å; F345-L348 PolarHBondContact O-N 3.29Å; L348-V351 PolarHBondContact O-N 3.11Å; L348-V351 VanDerWaalsContact O-N 3.14Å; L348-L352 HydrophobicContact CD1-CD1 3.77Å; L348-L352 HydrophobicContact CD1-CD2 4.32Å; L348-L352 HydrophobicContact CD1-CG 3.82Å; L348-L352 HydrophobicContact CD2-CD1 3.84Å; L348-L352 HydrophobicContact CG-CD1 3.52Å; L348-L352 HydrophobicContact CG-CG 3.93Å; L348-L352 PolarHBondContact O-N 2.95Å; L348-W358 HydrophobicContact CD1-CH2 3.76Å; L348-W358 HydrophobicContact CD1-CZ2 4.43Å
349	C	97.7	Very high	96.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-63.7	-42.1	-167.2	-66.7	0	0	0	0	114.9	V150 F345 V351 L352 N353	V150-C349 HydrophobicContact CG1-CB 4.11Å; F345-C349 WeakPolarHBondContact CE2-SG 3.42Å; F345-C349 WeakPolarHBondContact CZ-SG 3.18Å; F345-C349 WeakPolarHBondContact O-CB 3.4Å; F345-C349 PolarHBondContact O-N 2.89Å; F345-C349 PolarHBondContact O-SG 3.25Å; C349-V351 PolarHBondContact O-N 3.41Å; C349-L352 PolarHBondContact O-N 3.18Å; C349-N353 WeakPolarHBondContact O-CB 3.22Å; C349-N353 PolarHBondContact O-N 3.46Å; C349-N353 PolarHBondContact O-ND2 3.18Å; C349-N353 PolarHBondContact O-OD1 2.94Å
350	P	97.3	Very high	96.5	Very high	8 Å²	8	29.2 Å²	29.2	5%	0.052	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-27.3	175.7	-25.8	37.8	0	0	0	113.9	F142 Q346 N353 G354 T355 M356	F142-P350 HydrophobicContact CE1-CG 4.2Å; F142-P350 HydrophobicContact CZ-CG 4Å; Q346-P350 WeakPolarHBondContact O-CD 3.48Å; Q346-P350 VanDerWaalsContact O-CG 3.31Å; Q346-P350 WeakPolarHBondContact O-CG 3.44Å; P350-N353 WeakPolarHBondContact CA-OD1 3.45Å; P350-N353 PolarHBondContact O-OD1 3.37Å; P350-G354 PolarHBondContact O-N 2.87Å; P350-T355 PolarHBondContact O-N 3.43Å; P350-T355 PolarHBondContact O-OG1 3.2Å; P350-M356 HydrophobicContact CB-CB 3.78Å; P350-M356 HydrophobicContact CB-CG 3.8Å; P350-M356 HydrophobicContact CB-SD 3.71Å; P350-M356 HydrophobicContact CG-SD 4.2Å; P350-M356 PolarHBondContact O-N 3.3Å; P350-M356 VanDerWaalsContact O-N 3.07Å
351	V	97.2	Very high	96.6	Very high	10 Å²	10	27.3 Å²	27.3	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-78.7	-49	176.1	-173.4	0	0	0	0	110.2	F234 S347 L348 C349 N353 G354 M356 W358	F234-V351 HydrophobicContact CE2-CG1 3.85Å; S347-V351 WeakPolarHBondContact O-CG2 3.34Å; L348-V351 PolarHBondContact O-N 3.11Å; L348-V351 VanDerWaalsContact O-N 3.14Å; C349-V351 PolarHBondContact O-N 3.41Å; V351-N353 PolarHBondContact O-N 3.13Å; V351-N353 VanDerWaalsContact O-N 3.12Å; V351-G354 PolarHBondContact O-N 3.4Å; V351-M356 WeakPolarHBondContact CA-O 3.29Å; V351-W358 HydrophobicContact CB-CD2 4.38Å; V351-W358 HydrophobicContact CB-CZ2 4.44Å; V351-W358 HydrophobicContact CG1-CD2 4.16Å; V351-W358 HydrophobicContact CG1-CG 4.36Å; V351-W358 HydrophobicContact CG1-CZ2 4.22Å; V351-W358 HydrophobicContact CG2-CD2 3.79Å; V351-W358 HydrophobicContact CG2-CE3 3.77Å; V351-W358 HydrophobicContact CG2-CG 4.18Å; V351-W358 HydrophobicContact CG2-CZ3 4.15Å
352	L	96.7	Very high	96.4	Very high	1 Å²	1	27 Å²	27	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61.2	-22.3	177	-71.3	-178.3	0	0	0	113.9	C110 T112 V114 V150 F234 H291 Y295 L348 C349	C110-L352 PolarHBondContact SG-O 3.14Å; T112-L352 HydrophobicContact CG2-CD1 3.86Å; T112-L352 HydrophobicContact CG2-CD2 4.21Å; T112-L352 HydrophobicContact CG2-CG 4.45Å; V114-L352 HydrophobicContact CG2-CD1 3.62Å; V150-L352 HydrophobicContact CG1-CB 4.43Å; F234-L352 HydrophobicContact CD1-CD2 4.02Å; F234-L352 HydrophobicContact CD2-CD2 4.09Å; F234-L352 HydrophobicContact CE1-CD2 3.75Å; F234-L352 HydrophobicContact CE2-CD2 3.85Å; F234-L352 HydrophobicContact CG-CD2 4.17Å; F234-L352 HydrophobicContact CZ-CD2 3.66Å; H291-L352 PolarHBondContact CE1-O 3.37Å; H291-L352 PolarHBondContact ND1-O 3.23Å; Y295-L352 HydrophobicContact CD2-CD1 3.83Å; Y295-L352 HydrophobicContact CD2-CD2 4.14Å; Y295-L352 HydrophobicContact CE2-CD1 4.32Å; Y295-L352 HydrophobicContact CE2-CD2 3.77Å; Y295-L352 HydrophobicContact CG-CD1 4.27Å; L348-L352 HydrophobicContact CD1-CD1 3.77Å; L348-L352 HydrophobicContact CD1-CD2 4.32Å; L348-L352 HydrophobicContact CD1-CG 3.82Å; L348-L352 HydrophobicContact CD2-CD1 3.84Å; L348-L352 HydrophobicContact CG-CD1 3.52Å; L348-L352 HydrophobicContact CG-CG 3.93Å; L348-L352 PolarHBondContact O-N 2.95Å; C349-L352 PolarHBondContact O-N 3.18Å
353	N	95.1	Very high	96.2	Very high	17 Å²	17	31.4 Å²	31.4	9%	0.091	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	4.8	177.5	78.2	13.3	0	0	0	113.6	C110 Y148 C349 P350 V351 T355	C110-N353 HydrophobicContact CB-CB 3.91Å; Y148-N353 VanDerWaalsContact O-CB 3.32Å; Y148-N353 WeakPolarHBondContact O-CB 3.2Å; Y148-N353 PolarHBondContact O-ND2 3.11Å; C349-N353 WeakPolarHBondContact O-CB 3.22Å; C349-N353 PolarHBondContact O-N 3.46Å; C349-N353 PolarHBondContact O-ND2 3.18Å; C349-N353 PolarHBondContact O-OD1 2.94Å; P350-N353 WeakPolarHBondContact CA-OD1 3.45Å; P350-N353 PolarHBondContact O-OD1 3.37Å; V351-N353 PolarHBondContact O-N 3.13Å; V351-N353 VanDerWaalsContact O-N 3.12Å; N353-T355 VanDerWaalsContact C-N 3.34Å; N353-T355 PolarHBondContact O-N 3.3Å; N353-T355 WeakPolarHBondContact OD1-CB 3.23Å; N353-T355 VanDerWaalsContact OD1-CG2 3.28Å; N353-T355 WeakPolarHBondContact OD1-CG2 3.48Å; N353-T355 PolarHBondContact OD1-N 2.86Å; N353-T355 VanDerWaalsContact OD1-N 3.17Å; N353-T355 PolarHBondContact OD1-OG1 2.87Å
354	G	94	Very high	96	Very high	67 Å²	67	37 Å²	37	69%	0.691	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	18.6	174.3	0	0	0	0	0	115.3	P350 V351	P350-G354 PolarHBondContact O-N 2.87Å; V351-G354 PolarHBondContact O-N 3.4Å
355	T	95.1	Very high	95.8	Very high	63 Å²	63	36.5 Å²	36.5	39%	0.387	20%	0.195	S	C	.	.	S	Bend	trans	-94.2	-18.4	-179.4	58.3	0	0	0	0	114.3	Y148 P350 N353	Y148-T355 HydrophobicContact CD2-CG2 3.91Å; Y148-T355 HydrophobicContact CE2-CG2 4.25Å; P350-T355 PolarHBondContact O-N 3.43Å; P350-T355 PolarHBondContact O-OG1 3.2Å; N353-T355 VanDerWaalsContact C-N 3.34Å; N353-T355 PolarHBondContact O-N 3.3Å; N353-T355 WeakPolarHBondContact OD1-CB 3.23Å; N353-T355 VanDerWaalsContact OD1-CG2 3.28Å; N353-T355 WeakPolarHBondContact OD1-CG2 3.48Å; N353-T355 PolarHBondContact OD1-N 2.86Å; N353-T355 VanDerWaalsContact OD1-N 3.17Å; N353-T355 PolarHBondContact OD1-OG1 2.87Å
356	M	96.1	Very high	95.4	Very high	60 Å²	60	36.8 Å²	36.8	30%	0.296	20%	0.196	S	C	.	.	S	Bend	trans	-144.6	149.3	178.9	-65.4	-177.6	128.6	0	0	111	P350 V351 E360 Y364	P350-M356 HydrophobicContact CB-CB 3.78Å; P350-M356 HydrophobicContact CB-CG 3.8Å; P350-M356 HydrophobicContact CB-SD 3.71Å; P350-M356 HydrophobicContact CG-SD 4.2Å; P350-M356 PolarHBondContact O-N 3.3Å; P350-M356 VanDerWaalsContact O-N 3.07Å; V351-M356 WeakPolarHBondContact CA-O 3.29Å; M356-E360 HydrophobicContact CB-CB 4.08Å; M356-E360 HydrophobicContact CE-CB 4.3Å; M356-E360 HydrophobicContact CG-CB 4.37Å; M356-Y364 HydrophobicContact CE-CG 4.36Å
357	T	95.8	Very high	94.9	Very high	58 Å²	58	37.1 Å²	37.1	36%	0.356	20%	0.201	S	C	.	.			trans	-69.6	166.3	161.2	59.5	0	0	0	0	110.9	L359 E360 S361	T357-L359 VanDerWaalsContact C-N 3.28Å; T357-L359 PolarHBondContact O-N 3.49Å; T357-E360 PolarHBondContact N-OE2 2.89Å; T357-E360 PolarHBondContact O-N 3.42Å; T357-E360 VanDerWaalsContact OG1-CD 3.31Å; T357-E360 VanDerWaalsContact OG1-CG 3.26Å; T357-E360 WeakPolarHBondContact OG1-CG 3.42Å; T357-E360 PolarHBondContact OG1-N 3.22Å; T357-E360 PolarHBondContact OG1-OE2 2.92Å; T357-S361 VanDerWaalsContact O-CB 3.24Å; T357-S361 WeakPolarHBondContact O-CB 3.31Å; T357-S361 PolarHBondContact O-N 2.83Å
358	W	95.6	Very high	94.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.4	-38.5	174.8	-78.7	113.8	0	0	0	112.7	L230 P231 E232 F234 L324 P325 I329 S347 L348 V351 S361 L362	L230-W358 HydrophobicContact CB-CZ2 3.73Å; L230-W358 HydrophobicContact CD1-CH2 3.68Å; L230-W358 HydrophobicContact CD1-CZ2 3.62Å; L230-W358 HydrophobicContact CG-CZ2 4.35Å; P231-W358 PolarHBondContact O-NE1 3.24Å; E232-W358 PolarHBondContact OE1-N 3.31Å; F234-W358 HydrophobicContact CE2-CZ2 4.39Å; F234-W358 HydrophobicContact CZ-CZ2 4.15Å; L324-W358 HydrophobicContact CB-CZ3 4.34Å; L324-W358 HydrophobicContact CD2-CH2 4.4Å; L324-W358 HydrophobicContact CD2-CZ3 3.77Å; L324-W358 HydrophobicContact CG-CE3 4.46Å; L324-W358 HydrophobicContact CG-CH2 3.81Å; L324-W358 HydrophobicContact CG-CZ3 3.59Å; P325-W358 HydrophobicContact CG-CB 3.88Å; P325-W358 HydrophobicContact CG-CD2 3.56Å; P325-W358 HydrophobicContact CG-CE3 4.22Å; P325-W358 HydrophobicContact CG-CG 3.39Å; I329-W358 HydrophobicContact CD1-CB 3.17Å; I329-W358 HydrophobicContact CD1-CG 4.13Å; S347-W358 WeakPolarHBondContact O-CZ3 3.42Å; L348-W358 HydrophobicContact CD1-CH2 3.76Å; L348-W358 HydrophobicContact CD1-CZ2 4.43Å; V351-W358 HydrophobicContact CB-CD2 4.38Å; V351-W358 HydrophobicContact CB-CZ2 4.44Å; V351-W358 HydrophobicContact CG1-CD2 4.16Å; V351-W358 HydrophobicContact CG1-CG 4.36Å; V351-W358 HydrophobicContact CG1-CZ2 4.22Å; V351-W358 HydrophobicContact CG2-CD2 3.79Å; V351-W358 HydrophobicContact CG2-CE3 3.77Å; V351-W358 HydrophobicContact CG2-CG 4.18Å; V351-W358 HydrophobicContact CG2-CZ3 4.15Å; W358-S361 PolarHBondContact O-N 3.26Å; W358-L362 HydrophobicContact CB-CD1 4.5Å; W358-L362 WeakPolarHBondContact O-CB 3.46Å; W358-L362 WeakPolarHBondContact O-CD1 3.41Å; W358-L362 VanDerWaalsContact O-CG 3.27Å; W358-L362 WeakPolarHBondContact O-CG 3.23Å; W358-L362 PolarHBondContact O-N 3.03Å
359	L	93.8	Very high	93.8	Very high	69 Å²	69	52 Å²	52	36%	0.361	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-48.7	178.2	175.7	64	0	0	0	111.8	I329 L331 T357 K363	I329-L359 HydrophobicContact CG2-CB 3.87Å; I329-L359 HydrophobicContact CG2-CD1 3.43Å; I329-L359 VanDerWaalsContact CG2-CD1 3.43Å; I329-L359 HydrophobicContact CG2-CG 4.22Å; L331-L359 HydrophobicContact CD1-CD1 4.46Å; L331-L359 HydrophobicContact CD2-CD1 4.17Å; L331-L359 HydrophobicContact CG-CD1 4.3Å; T357-L359 VanDerWaalsContact C-N 3.28Å; T357-L359 PolarHBondContact O-N 3.49Å; L359-K363 HydrophobicContact CD1-CD 3.96Å; L359-K363 HydrophobicContact CD1-CG 4.3Å; L359-K363 HydrophobicContact CG-CD 4.29Å; L359-K363 VanDerWaalsContact O-CB 3.29Å; L359-K363 WeakPolarHBondContact O-CB 3.36Å; L359-K363 VanDerWaalsContact O-CG 3.31Å; L359-K363 WeakPolarHBondContact O-CG 3.43Å; L359-K363 PolarHBondContact O-N 2.79Å
360	E	95.3	Very high	93.1	Very high	98 Å²	98	54 Å²	54	46%	0.458	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-47.6	178.7	-70.9	166.3	140.4	0	0	111.1	M356 T357 K363 Y364	M356-E360 HydrophobicContact CB-CB 4.08Å; M356-E360 HydrophobicContact CE-CB 4.3Å; M356-E360 HydrophobicContact CG-CB 4.37Å; T357-E360 PolarHBondContact N-OE2 2.89Å; T357-E360 PolarHBondContact O-N 3.42Å; T357-E360 VanDerWaalsContact OG1-CD 3.31Å; T357-E360 VanDerWaalsContact OG1-CG 3.26Å; T357-E360 WeakPolarHBondContact OG1-CG 3.42Å; T357-E360 PolarHBondContact OG1-N 3.22Å; T357-E360 PolarHBondContact OG1-OE2 2.92Å; E360-K363 PolarHBondContact O-N 2.68Å; E360-Y364 VanDerWaalsContact O-CB 3.28Å; E360-Y364 WeakPolarHBondContact O-CB 3.45Å; E360-Y364 PolarHBondContact O-N 3.01Å
361	S	96.2	Very high	92.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-43.9	-176.8	-169.3	0	0	0	0	112.2	Q346 S347 T357 W358 Y364 T365	Q346-S361 PolarHBondContact O-OG 3.26Å; S347-S361 VanDerWaalsContact C-OG 3.27Å; S347-S361 VanDerWaalsContact CA-OG 3.24Å; S347-S361 WeakPolarHBondContact CA-OG 3.27Å; S347-S361 PolarHBondContact O-OG 3.38Å; T357-S361 VanDerWaalsContact O-CB 3.24Å; T357-S361 WeakPolarHBondContact O-CB 3.31Å; T357-S361 PolarHBondContact O-N 2.83Å; W358-S361 PolarHBondContact O-N 3.26Å; S361-Y364 PolarHBondContact O-N 3.4Å; S361-T365 VanDerWaalsContact O-CB 3.25Å; S361-T365 WeakPolarHBondContact O-CB 3.47Å; S361-T365 PolarHBondContact O-N 2.71Å; S361-T365 PolarHBondContact O-OG1 3.44Å
362	L	94.4	Very high	91.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-67.9	-43.4	176.2	-74.8	165.3	0	0	0	111.8	L324 I326 I329 L331 L339 W358 Y364 T365 I366	L324-L362 HydrophobicContact CD2-CD2 4.26Å; I326-L362 HydrophobicContact CG1-CD1 4.37Å; I326-L362 HydrophobicContact CG1-CD2 4.08Å; I329-L362 HydrophobicContact CD1-CD1 3.75Å; L331-L362 HydrophobicContact CD1-CB 3.46Å; L331-L362 VanDerWaalsContact CD1-CB 3.46Å; L331-L362 HydrophobicContact CD1-CD1 4.09Å; L331-L362 HydrophobicContact CD1-CG 4.39Å; L339-L362 HydrophobicContact CD1-CD2 4.38Å; W358-L362 HydrophobicContact CB-CD1 4.5Å; W358-L362 WeakPolarHBondContact O-CB 3.46Å; W358-L362 WeakPolarHBondContact O-CD1 3.41Å; W358-L362 VanDerWaalsContact O-CG 3.27Å; W358-L362 WeakPolarHBondContact O-CG 3.23Å; W358-L362 PolarHBondContact O-N 3.03Å; L362-Y364 VanDerWaalsContact C-N 3.31Å; L362-Y364 PolarHBondContact O-N 3.02Å; L362-T365 PolarHBondContact O-N 2.88Å; L362-I366 HydrophobicContact CB-CD1 4.12Å; L362-I366 HydrophobicContact CD2-CD1 4.05Å; L362-I366 WeakPolarHBondContact O-CB 3.48Å; L362-I366 WeakPolarHBondContact O-CD1 3.35Å; L362-I366 VanDerWaalsContact O-CG1 3.28Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 2.83Å
363	K	92.4	Very high	89.8	Confident	114 Å²	114	71.5 Å²	71.5	50%	0.496	36%	0.362	S	S	.	.	H	α-helix	trans	-61.1	-39.7	175.1	-81.6	-179.1	170.5	172.9	0	112.2	L331 L359 E360	L331-K363 HydrophobicContact CD1-CG 4.45Å; L331-K363 HydrophobicContact CD2-CD 4.39Å; L331-K363 HydrophobicContact CD2-CG 3.71Å; L359-K363 HydrophobicContact CD1-CD 3.96Å; L359-K363 HydrophobicContact CD1-CG 4.3Å; L359-K363 HydrophobicContact CG-CD 4.29Å; L359-K363 VanDerWaalsContact O-CB 3.29Å; L359-K363 WeakPolarHBondContact O-CB 3.36Å; L359-K363 VanDerWaalsContact O-CG 3.31Å; L359-K363 WeakPolarHBondContact O-CG 3.43Å; L359-K363 PolarHBondContact O-N 2.79Å; E360-K363 PolarHBondContact O-N 2.68Å
364	Y	92.9	Very high	89.5	Confident	156 Å²	156	74.2 Å²	74.2	61%	0.612	38%	0.376	S	S	*	.	H	α-helix	trans	-68.9	-38	177.6	179.1	-95.7	0	0	0	112.3	F142 M356 E360 S361 L362	F142-Y364 HydrophobicContact CE2-CE1 4.11Å; M356-Y364 HydrophobicContact CE-CG 4.36Å; E360-Y364 VanDerWaalsContact O-CB 3.28Å; E360-Y364 WeakPolarHBondContact O-CB 3.45Å; E360-Y364 PolarHBondContact O-N 3.01Å; S361-Y364 PolarHBondContact O-N 3.4Å; L362-Y364 VanDerWaalsContact C-N 3.31Å; L362-Y364 PolarHBondContact O-N 3.02Å
365	T	93.9	Very high	89.3	Confident	10 Å²	10	74.6 Å²	74.6	6%	0.061	36%	0.359	C	S	.	.	H	α-helix	trans	-81.5	-42.4	-174.4	-61.1	0	0	0	0	113.2	H343 Q346 S347 S361 L362 P367	H343-T365 HydrophobicContact CB-CG2 3.72Å; H343-T365 WeakPolarHBondContact O-CG2 3.45Å; Q346-T365 VanDerWaalsContact C-OG1 3.32Å; Q346-T365 HydrophobicContact CB-CG2 3.56Å; Q346-T365 PolarHBondContact O-OG1 2.86Å; S347-T365 PolarHBondContact N-OG1 2.73Å; S347-T365 VanDerWaalsContact OG-CB 3.26Å; S347-T365 WeakPolarHBondContact OG-CB 3.33Å; S347-T365 WeakPolarHBondContact OG-CG2 3.41Å; S347-T365 PolarHBondContact OG-OG1 3.29Å; S361-T365 VanDerWaalsContact O-CB 3.25Å; S361-T365 WeakPolarHBondContact O-CB 3.47Å; S361-T365 PolarHBondContact O-N 2.71Å; S361-T365 PolarHBondContact O-OG1 3.44Å; L362-T365 PolarHBondContact O-N 2.88Å; T365-P367 WeakPolarHBondContact O-CD 3.45Å
366	I	90.4	Very high	89	Confident	5 Å²	5	75.2 Å²	75.2	3%	0.026	36%	0.358	C	S	.	.	S	Bend	trans	-74.8	126	-172.8	-66.5	162.9	0	0	0	109.1	I333 L362 T368 K370 L371	I333-I366 HydrophobicContact CD1-CD1 3.4Å; I333-I366 VanDerWaalsContact CD1-CD1 3.4Å; I333-I366 HydrophobicContact CG1-CD1 4.05Å; L362-I366 HydrophobicContact CB-CD1 4.12Å; L362-I366 HydrophobicContact CD2-CD1 4.05Å; L362-I366 WeakPolarHBondContact O-CB 3.48Å; L362-I366 WeakPolarHBondContact O-CD1 3.35Å; L362-I366 VanDerWaalsContact O-CG1 3.28Å; L362-I366 WeakPolarHBondContact O-CG1 3.39Å; L362-I366 PolarHBondContact O-N 2.83Å; I366-T368 PolarHBondContact O-N 3.1Å; I366-K370 HydrophobicContact CG2-CB 3.85Å; I366-K370 HydrophobicContact CG2-CD 4.42Å; I366-L371 HydrophobicContact CB-CD2 4.23Å; I366-L371 HydrophobicContact CG2-CD2 3.79Å; I366-L371 HydrophobicContact CG2-CG 4.18Å
367	P	88	Confident	88.6	Confident	42 Å²	42	76.1 Å²	76.1	27%	0.273	36%	0.362	S	S	.	.			trans	-56	132.8	178.1	-26.4	34.2	0	0	0	111.9	T365 R369 K370	T365-P367 WeakPolarHBondContact O-CD 3.45Å; P367-R369 HydrophobicContact CB-CG 4.18Å; P367-R369 PolarHBondContact O-N 2.9Å; P367-K370 WeakPolarHBondContact O-CB 3.48Å; P367-K370 PolarHBondContact O-N 3.19Å
368	T	86.5	Confident	88.1	Confident	113 Å²	113	77.3 Å²	77.3	69%	0.693	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-50.5	-36.8	-175.6	-42.8	0	0	0	0	113.4	I366 K370 L371	I366-T368 PolarHBondContact O-N 3.1Å; T368-K370 PolarHBondContact O-N 3.17Å; T368-L371 PolarHBondContact O-N 3.32Å
369	R	85.4	Confident	87.6	Confident	200 Å²	200	82.4 Å²	82.4	76%	0.755	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-60	-15.8	176.3	70.1	178.6	-178.3	85	-2.4	115.3	P367	P367-R369 HydrophobicContact CB-CG 4.18Å; P367-R369 PolarHBondContact O-N 2.9Å
370	K	82.7	Confident	87.2	Confident	44 Å²	44	83.4 Å²	83.4	19%	0.191	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-96	-16.5	176.1	-73.6	-167.7	168.9	-164.6	0	112.1	I333 N334 I366 P367 T368	I333-K370 CarbonylContact C-O 3.53Å; I333-K370 WeakPolarHBondContact CA-O 3.46Å; I333-K370 HydrophobicContact CG2-CB 4.35Å; N334-K370 PolarHBondContact N-O 3.24Å; I366-K370 HydrophobicContact CG2-CB 3.85Å; I366-K370 HydrophobicContact CG2-CD 4.42Å; P367-K370 WeakPolarHBondContact O-CB 3.48Å; P367-K370 PolarHBondContact O-N 3.19Å; T368-K370 PolarHBondContact O-N 3.17Å
371	L	80.8	Confident	86.5	Confident	46 Å²	46	82.2 Å²	82.2	24%	0.241	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-81.4	123.5	176.3	-58.7	175.8	0	0	0	107.6	L331 I366 T368	L331-L371 HydrophobicContact CD2-CD2 4.41Å; I366-L371 HydrophobicContact CB-CD2 4.23Å; I366-L371 HydrophobicContact CG2-CD2 3.79Å; I366-L371 HydrophobicContact CG2-CG 4.18Å; T368-L371 PolarHBondContact O-N 3.32Å
372	I	75.5	Confident	85.7	Confident	88 Å²	88	89.1 Å²	89.1	45%	0.451	41%	0.414	S	S	.	.			trans	-80.4	123.7	169	-54.4	172.7	0	0	0	105.7	N332 N334	N332-I372 HydrophobicContact CB-CB 3.82Å; N332-I372 HydrophobicContact CB-CD1 4.32Å; N332-I372 HydrophobicContact CB-CG1 4.38Å; N332-I372 PolarHBondContact O-N 3.33Å; N334-I372 HydrophobicContact CB-CD1 4.02Å; N334-I372 HydrophobicContact CB-CG1 3.83Å
373	Q	66	Low	85	Confident	251 Å²	251	97.2 Å²	97.2	100%	1.173	45%	0.452	S	S	*	.			trans	-71.2	0	178.2	-74.6	-178.4	-25.8	0	0	111.8

Retrieved 373 of 373 residues in 252.3 ms (Link to these results)

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