A0A3Q0KLY0_SCHMA Loading...

Doublesex and mab-3 related transcription factor

AlphaFold DB , UniProt , Accession A0A3Q0KLY0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 447 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	41	Very low	42.7	Very low	237 Å²	237	152.5 Å²	152.5	100%	1.167	83%	0.834	S	S	*	*				0	144.4	0	-92.8	176.8	153.2	0	0	108
2	M	39.5	Very low	42.9	Very low	190 Å²	190	150.4 Å²	150.4	94%	0.936	83%	0.828	S	S	*	*			trans	63.6	126.5	171.4	-54.8	-170.2	78	0	0	116.9
3	S	38.5	Very low	42.8	Very low	108 Å²	108	151.1 Å²	151.1	76%	0.755	83%	0.829	S	S	*	*			trans	-94.3	165.3	-177.9	-42	0	0	0	0	111.7
4	N	42.8	Very low	42.6	Very low	169 Å²	169	152.4 Å²	152.4	90%	0.904	83%	0.826	S	S	*	*			trans	177.2	141.4	136.1	-83.7	-18.3	0	0	0	107.1
5	G	40.8	Very low	42.5	Very low	58 Å²	58	153.2 Å²	153.2	60%	0.598	82%	0.822	S	S	*	*			cis	125.7	131.9	4.3	0	0	0	0	0	110.2
6	T	45.8	Very low	42.1	Very low	130 Å²	130	150.1 Å²	150.1	80%	0.798	82%	0.816	S	S	*	*			trans	85.9	142.4	-161.8	77.8	0	0	0	0	114.5
7	E	47.6	Very low	42.2	Very low	173 Å²	173	147.1 Å²	147.1	81%	0.808	80%	0.798	S	S	*	*			cis	-153.6	141.4	-10.7	-118.9	157.2	-133.5	0	0	109.1
8	E	40.4	Very low	42.3	Very low	193 Å²	193	145.4 Å²	145.4	90%	0.902	79%	0.788	S	S	*	*			trans	-104.3	136.3	-179.4	-69.8	-170.5	166.8	0	0	112.5
9	I	49.6	Very low	42.5	Very low	152 Å²	152	143.2 Å²	143.2	78%	0.779	79%	0.785	S	S	*	*			trans	-104.5	120.7	-177.5	-57.2	174.5	0	0	0	109.9	I11	I9-I11 PolarHBondContact O-N 3.36Å
10	P	41.9	Very low	42.8	Very low	110 Å²	110	143.8 Å²	143.8	71%	0.714	79%	0.786	S	S	*	*			trans	-77	111.9	178.2	29.9	-33.3	0	0	0	111.6	V12	P10-V12 PolarHBondContact O-N 2.73Å
11	I	42.1	Very low	43.5	Very low	158 Å²	158	141.9 Å²	141.9	81%	0.81	78%	0.779	S	S	*	*			trans	-76.2	106.1	174.4	-59.5	176.3	0	0	0	109.4	I9 L13	I9-I11 PolarHBondContact O-N 3.36Å; I11-L13 PolarHBondContact O-N 3.07Å
12	V	44.2	Very low	44.2	Very low	127 Å²	127	137 Å²	137	77%	0.77	76%	0.758	S	S	*	*			trans	-75.5	109.3	177.5	179.7	0	0	0	0	110.2	P10 H14	P10-V12 PolarHBondContact O-N 2.73Å; V12-H14 PolarHBondContact O-N 3.39Å
13	L	42.8	Very low	45.8	Very low	159 Å²	159	130.6 Å²	130.6	83%	0.832	73%	0.727	S	S	*	*			trans	-69.9	113.3	173.7	-102.8	163.3	0	0	0	110.7	I11 Q15	I11-L13 PolarHBondContact O-N 3.07Å; L13-Q15 PolarHBondContact O-N 3.26Å; L13-Q15 VanDerWaalsContact O-N 3.07Å
14	H	39.6	Very low	47.9	Very low	170 Å²	170	128.9 Å²	128.9	79%	0.787	71%	0.709	S	S	*	*			trans	-75.7	95.3	-170	-164.4	-87.7	0	0	0	112.2	V12 S16	V12-H14 PolarHBondContact O-N 3.39Å; H14-S16 PolarHBondContact O-N 3.35Å
15	Q	41.1	Very low	49.5	Very low	164 Å²	164	124.8 Å²	124.8	77%	0.766	69%	0.692	S	S	*	*			trans	-70.1	85.2	178.9	-71.8	-173.9	-6.4	0	0	112.4	L13 I17	L13-Q15 PolarHBondContact O-N 3.26Å; L13-Q15 VanDerWaalsContact O-N 3.07Å; Q15-I17 HydrophobicContact CB-CD1 4.31Å; Q15-I17 HydrophobicContact CB-CG1 4.31Å; Q15-I17 HydrophobicContact CG-CD1 4.48Å; Q15-I17 PolarHBondContact O-N 3.32Å
16	S	36	Very low	51.4	Low	104 Å²	104	126.6 Å²	126.6	73%	0.727	69%	0.687	S	S	*	*			trans	-76.3	61.9	166.9	-164.7	0	0	0	0	111	H14	H14-S16 PolarHBondContact O-N 3.35Å
17	I	44.4	Very low	53.2	Low	98 Å²	98	123 Å²	123	50%	0.503	67%	0.665	S	S	.	*			trans	-91.4	122	173.5	-59.3	174.7	0	0	0	107.7	Q15 S19	Q15-I17 HydrophobicContact CB-CD1 4.31Å; Q15-I17 HydrophobicContact CB-CG1 4.31Å; Q15-I17 HydrophobicContact CG-CD1 4.48Å; Q15-I17 PolarHBondContact O-N 3.32Å; I17-S19 PolarHBondContact O-N 3.39Å
18	N	43.6	Very low	54.6	Low	117 Å²	117	116.8 Å²	116.8	63%	0.626	64%	0.643	S	S	*	*			trans	-47	109.4	-174.3	-71.8	-37.5	0	0	0	112.4	L20 T21	N18-L20 PolarHBondContact O-N 3.27Å; N18-T21 PolarHBondContact O-N 3.12Å; N18-T21 VanDerWaalsContact O-N 3.11Å; N18-T21 PolarHBondContact O-OG1 3.4Å; N18-T21 VanDerWaalsContact O-OG1 3.14Å
19	S	45.2	Very low	56.6	Low	104 Å²	104	114.1 Å²	114.1	73%	0.727	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	10.6	-167.2	-40.7	0	0	0	0	115.4	I17 L23	I17-S19 PolarHBondContact O-N 3.39Å; S19-L23 WeakPolarHBondContact O-CD1 3.34Å
20	L	49.1	Very low	58.2	Low	154 Å²	154	114.4 Å²	114.4	81%	0.806	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-20.6	171.9	-93	66.4	0	0	0	113.4	N18 L23	N18-L20 PolarHBondContact O-N 3.27Å; L20-L23 WeakPolarHBondContact O-CD1 3.49Å
21	T	57.1	Low	60.2	Low	104 Å²	104	112.9 Å²	112.9	64%	0.638	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-18.8	-176.6	59.1	0	0	0	0	113.9	N18	N18-T21 PolarHBondContact O-N 3.12Å; N18-T21 VanDerWaalsContact O-N 3.11Å; N18-T21 PolarHBondContact O-OG1 3.4Å; N18-T21 VanDerWaalsContact O-OG1 3.14Å
22	N	56.8	Low	61.9	Low	136 Å²	136	108.3 Å²	108.3	73%	0.727	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	26.8	179.9	-84	-89.6	0	0	0	113.3
23	L	73.2	Confident	63.7	Low	54 Å²	54	110.4 Å²	110.4	28%	0.283	58%	0.581	S	S	.	*			trans	-80.7	124.1	172	-88.5	83.1	0	0	0	111.3	S19 L20 T27 A28 I31	S19-L23 WeakPolarHBondContact O-CD1 3.34Å; L20-L23 WeakPolarHBondContact O-CD1 3.49Å; L23-T27 HydrophobicContact CD2-CG2 4.01Å; L23-T27 HydrophobicContact CG-CG2 4.45Å; L23-A28 HydrophobicContact CB-CB 4.32Å; L23-I31 HydrophobicContact CD2-CD1 3.54Å; L23-I31 HydrophobicContact CD2-CG1 4.46Å
24	D	81.5	Confident	65.6	Low	73 Å²	73	108 Å²	108	39%	0.39	57%	0.568	S	S	.	*			trans	-50.3	138.4	163.9	135.2	71.1	0	0	0	110.5	I26 T27 A28	D24-I26 VanDerWaalsContact CG-N 3.3Å; D24-I26 PolarHBondContact O-N 3.45Å; D24-I26 VanDerWaalsContact O-N 3.12Å; D24-I26 WeakPolarHBondContact OD1-CG1 3.24Å; D24-I26 PolarHBondContact OD1-N 3.26Å; D24-I26 WeakPolarHBondContact OD2-CA 3.29Å; D24-I26 WeakPolarHBondContact OD2-CB 3.39Å; D24-I26 PolarHBondContact OD2-N 3.35Å; D24-T27 WeakPolarHBondContact O-CA 3.45Å; D24-T27 WeakPolarHBondContact O-CB 3.47Å; D24-T27 PolarHBondContact O-N 3.47Å; D24-T27 WeakPolarHBondContact OD2-CB 3.35Å; D24-T27 PolarHBondContact OD2-N 3.44Å; D24-T27 PolarHBondContact OD2-OG1 3.2Å; D24-A28 PolarHBondContact O-N 3.41Å
25	P	76.5	Confident	67.6	Low	82 Å²	82	104.2 Å²	104.2	53%	0.532	55%	0.553	S	S	.	*	H	α-helix	trans	-54.5	-29.8	178.9	-30.4	37.3	0	0	0	115.2	R29	P25-R29 VanDerWaalsContact O-CB 3.31Å; P25-R29 WeakPolarHBondContact O-CB 3.39Å; P25-R29 WeakPolarHBondContact O-CG 3.44Å; P25-R29 PolarHBondContact O-N 3.22Å; P25-R29 PolarHBondContact O-NE 3.33Å
26	I	81.9	Confident	69.2	Low	96 Å²	96	104 Å²	104	49%	0.492	55%	0.549	S	S	.	.	H	α-helix	trans	-68.1	-41.5	175	-51.6	173.1	0	0	0	110.3	D24 R29 R30	D24-I26 VanDerWaalsContact CG-N 3.3Å; D24-I26 PolarHBondContact O-N 3.45Å; D24-I26 VanDerWaalsContact O-N 3.12Å; D24-I26 WeakPolarHBondContact OD1-CG1 3.24Å; D24-I26 PolarHBondContact OD1-N 3.26Å; D24-I26 WeakPolarHBondContact OD2-CA 3.29Å; D24-I26 WeakPolarHBondContact OD2-CB 3.39Å; D24-I26 PolarHBondContact OD2-N 3.35Å; I26-R29 PolarHBondContact O-N 3.26Å; I26-R30 WeakPolarHBondContact O-CG 3.47Å; I26-R30 PolarHBondContact O-N 3.19Å
27	T	83	Confident	70.9	Confident	55 Å²	55	101.2 Å²	101.2	34%	0.337	53%	0.53	S	S	.	.	H	α-helix	trans	-70.1	-43.7	178.5	-55.6	0	0	0	0	111.5	L23 D24 R29 R30 I31	L23-T27 HydrophobicContact CD2-CG2 4.01Å; L23-T27 HydrophobicContact CG-CG2 4.45Å; D24-T27 WeakPolarHBondContact O-CA 3.45Å; D24-T27 WeakPolarHBondContact O-CB 3.47Å; D24-T27 PolarHBondContact O-N 3.47Å; D24-T27 WeakPolarHBondContact OD2-CB 3.35Å; D24-T27 PolarHBondContact OD2-N 3.44Å; D24-T27 PolarHBondContact OD2-OG1 3.2Å; T27-R29 VanDerWaalsContact C-N 3.3Å; T27-R29 PolarHBondContact O-N 3.13Å; T27-R30 WeakPolarHBondContact O-CA 3.41Å; T27-R30 WeakPolarHBondContact O-CB 3.34Å; T27-R30 PolarHBondContact O-N 3.46Å; T27-I31 PolarHBondContact O-N 3.48Å
28	A	77.7	Confident	72	Confident	43 Å²	43	99.7 Å²	99.7	36%	0.355	53%	0.528	S	S	.	.	H	α-helix	trans	-56.7	-43.7	170.4	0	0	0	0	0	111.5	L23 D24 R30 I31 A32	L23-A28 HydrophobicContact CB-CB 4.32Å; D24-A28 PolarHBondContact O-N 3.41Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3.24Å; A28-I31 PolarHBondContact O-N 2.96Å; A28-A32 WeakPolarHBondContact O-CB 3.48Å; A28-A32 PolarHBondContact O-N 3.27Å
29	R	82.1	Confident	72.7	Confident	137 Å²	137	101.2 Å²	101.2	52%	0.517	53%	0.529	S	S	.	.	H	α-helix	trans	-66.2	-30	174.2	-74.6	174	-69.7	-159.2	0.3	113.2	P25 I26 T27 R33	P25-R29 VanDerWaalsContact O-CB 3.31Å; P25-R29 WeakPolarHBondContact O-CB 3.39Å; P25-R29 WeakPolarHBondContact O-CG 3.44Å; P25-R29 PolarHBondContact O-N 3.22Å; P25-R29 PolarHBondContact O-NE 3.33Å; I26-R29 PolarHBondContact O-N 3.26Å; T27-R29 VanDerWaalsContact C-N 3.3Å; T27-R29 PolarHBondContact O-N 3.13Å; R29-R33 WeakPolarHBondContact O-CD 3.49Å; R29-R33 WeakPolarHBondContact O-CG 3.37Å; R29-R33 PolarHBondContact O-N 3.4Å
30	R	81.9	Confident	73.1	Confident	158 Å²	158	98.1 Å²	98.1	60%	0.596	51%	0.506	S	S	*	.	H	α-helix	trans	-68.1	-47.8	171	-78.3	174	167.6	171.4	-4.1	111.4	I26 T27 A28 R33 L34	I26-R30 WeakPolarHBondContact O-CG 3.47Å; I26-R30 PolarHBondContact O-N 3.19Å; T27-R30 WeakPolarHBondContact O-CA 3.41Å; T27-R30 WeakPolarHBondContact O-CB 3.34Å; T27-R30 PolarHBondContact O-N 3.46Å; A28-R30 VanDerWaalsContact C-N 3.34Å; A28-R30 PolarHBondContact O-N 3.24Å; R30-R33 WeakPolarHBondContact O-CB 3.5Å; R30-R33 PolarHBondContact O-N 3.38Å; R30-L34 WeakPolarHBondContact O-CG 3.48Å; R30-L34 PolarHBondContact O-N 3.46Å
31	I	84.7	Confident	73.3	Confident	78 Å²	78	96.5 Å²	96.5	40%	0.4	50%	0.496	S	S	.	.	H	α-helix	trans	-64.3	-42.8	178	-64.3	-174.4	0	0	0	111.2	L23 T27 A28 R33 L34 I35	L23-I31 HydrophobicContact CD2-CD1 3.54Å; L23-I31 HydrophobicContact CD2-CG1 4.46Å; T27-I31 PolarHBondContact O-N 3.48Å; A28-I31 PolarHBondContact O-N 2.96Å; I31-R33 VanDerWaalsContact C-N 3.26Å; I31-R33 PolarHBondContact O-N 3.3Å; I31-L34 PolarHBondContact O-N 3.22Å; I31-I35 HydrophobicContact CG2-CD1 3.75Å; I31-I35 HydrophobicContact CG2-CG1 4.2Å; I31-I35 WeakPolarHBondContact O-CG1 3.46Å; I31-I35 PolarHBondContact O-N 3.13Å
32	A	78.9	Confident	73.1	Confident	61 Å²	61	97 Å²	97	50%	0.504	50%	0.499	S	S	.	.	H	α-helix	trans	-59.1	-36.8	174.7	0	0	0	0	0	112.5	A28 K36	A28-A32 WeakPolarHBondContact O-CB 3.48Å; A28-A32 PolarHBondContact O-N 3.27Å; A32-K36 WeakPolarHBondContact O-CB 3.32Å; A32-K36 PolarHBondContact O-N 3.12Å
33	R	80.3	Confident	72.8	Confident	171 Å²	171	95.4 Å²	95.4	65%	0.645	50%	0.495	S	S	*	.	H	α-helix	trans	-67.2	-41.8	171.6	-72.2	165.7	-169.4	164.6	4.2	111.9	R29 R30 I31 K36 S37	R29-R33 WeakPolarHBondContact O-CD 3.49Å; R29-R33 WeakPolarHBondContact O-CG 3.37Å; R29-R33 PolarHBondContact O-N 3.4Å; R30-R33 WeakPolarHBondContact O-CB 3.5Å; R30-R33 PolarHBondContact O-N 3.38Å; I31-R33 VanDerWaalsContact C-N 3.26Å; I31-R33 PolarHBondContact O-N 3.3Å; R33-K36 CarbonylContact O-C 2.97Å; R33-K36 PolarHBondContact O-N 2.92Å; R33-S37 PolarHBondContact O-N 2.98Å; R33-S37 PolarHBondContact O-OG 3.46Å
34	L	82.6	Confident	71.5	Confident	109 Å²	109	99.4 Å²	99.4	57%	0.571	51%	0.51	S	S	*	.	H	α-helix	trans	-63.8	-48.9	178.4	-73.1	168.9	0	0	0	112	R30 I31 K36 S37 S38	R30-L34 WeakPolarHBondContact O-CG 3.48Å; R30-L34 PolarHBondContact O-N 3.46Å; I31-L34 PolarHBondContact O-N 3.22Å; L34-K36 VanDerWaalsContact C-N 3.27Å; L34-K36 PolarHBondContact O-N 3.16Å; L34-S37 VanDerWaalsContact CA-OG 3.3Å; L34-S37 WeakPolarHBondContact CA-OG 3.42Å; L34-S37 PolarHBondContact O-N 3.1Å; L34-S37 VanDerWaalsContact O-N 3.12Å; L34-S37 PolarHBondContact O-OG 2.97Å; L34-S38 PolarHBondContact O-N 3.42Å; L34-S38 PolarHBondContact O-OG 3.43Å; L34-S38 VanDerWaalsContact O-OG 3.1Å
35	I	81.9	Confident	69.2	Low	90 Å²	90	100.9 Å²	100.9	46%	0.462	53%	0.525	S	S	.	.	H	α-helix	trans	-58.6	-41.7	174.4	-65.1	170.4	0	0	0	110.4	I31 S38 K39	I31-I35 HydrophobicContact CG2-CD1 3.75Å; I31-I35 HydrophobicContact CG2-CG1 4.2Å; I31-I35 WeakPolarHBondContact O-CG1 3.46Å; I31-I35 PolarHBondContact O-N 3.13Å; I35-S38 PolarHBondContact O-N 3.49Å; I35-K39 HydrophobicContact CG2-CD 4.22Å; I35-K39 WeakPolarHBondContact O-CB 3.16Å; I35-K39 WeakPolarHBondContact O-CG 3.38Å; I35-K39 PolarHBondContact O-N 3.08Å
36	K	75.1	Confident	67.3	Low	160 Å²	160	104.4 Å²	104.4	70%	0.696	54%	0.539	S	S	*	.	H	α-helix	trans	-69.6	-33.6	177.1	-165.4	166.6	-172.2	169.8	0	112.5	A32 R33 L34 T40	A32-K36 WeakPolarHBondContact O-CB 3.32Å; A32-K36 PolarHBondContact O-N 3.12Å; R33-K36 CarbonylContact O-C 2.97Å; R33-K36 PolarHBondContact O-N 2.92Å; L34-K36 VanDerWaalsContact C-N 3.27Å; L34-K36 PolarHBondContact O-N 3.16Å; K36-T40 VanDerWaalsContact O-CG2 3.27Å; K36-T40 WeakPolarHBondContact O-CG2 3.49Å; K36-T40 PolarHBondContact O-N 2.85Å; K36-T40 PolarHBondContact O-OG1 2.86Å
37	S	71.4	Confident	65.5	Low	46 Å²	46	106.5 Å²	106.5	32%	0.322	56%	0.557	S	S	.	*	H	α-helix	trans	-66.7	-48	170.4	48.5	0	0	0	0	110.9	R33 L34 K39 T40 I41	R33-S37 PolarHBondContact O-N 2.98Å; R33-S37 PolarHBondContact O-OG 3.46Å; L34-S37 VanDerWaalsContact CA-OG 3.3Å; L34-S37 WeakPolarHBondContact CA-OG 3.42Å; L34-S37 PolarHBondContact O-N 3.1Å; L34-S37 VanDerWaalsContact O-N 3.12Å; L34-S37 PolarHBondContact O-OG 2.97Å; S37-K39 PolarHBondContact O-N 3.48Å; S37-T40 CarbonylContact O-C 3.43Å; S37-T40 VanDerWaalsContact O-CA 3.31Å; S37-T40 WeakPolarHBondContact O-CA 3.18Å; S37-T40 PolarHBondContact O-N 3.24Å; S37-T40 PolarHBondContact O-OG1 3.47Å; S37-I41 WeakPolarHBondContact O-CG1 3.47Å; S37-I41 PolarHBondContact O-N 3.39Å
38	S	67.4	Low	63.5	Low	66 Å²	66	108.9 Å²	108.9	46%	0.462	58%	0.576	S	S	.	*	H	α-helix	trans	-61.9	-46.1	-179.5	-56.3	0	0	0	0	112.6	L34 I35 T40 I41 T42	L34-S38 PolarHBondContact O-N 3.42Å; L34-S38 PolarHBondContact O-OG 3.43Å; L34-S38 VanDerWaalsContact O-OG 3.1Å; I35-S38 PolarHBondContact O-N 3.49Å; S38-T40 PolarHBondContact O-N 3.16Å; S38-I41 PolarHBondContact O-N 3.21Å; S38-T42 PolarHBondContact O-N 3.05Å; S38-T42 VanDerWaalsContact O-N 3.14Å; S38-T42 PolarHBondContact O-OG1 3.03Å
39	K	59.6	Low	61.5	Low	149 Å²	149	114 Å²	114	65%	0.648	60%	0.597	S	S	*	*	H	α-helix	trans	-63.2	-19.6	171.9	-71.6	-174.1	177.7	-174.9	0	113.3	I35 S37 T42 T43	I35-K39 HydrophobicContact CG2-CD 4.22Å; I35-K39 WeakPolarHBondContact O-CB 3.16Å; I35-K39 WeakPolarHBondContact O-CG 3.38Å; I35-K39 PolarHBondContact O-N 3.08Å; S37-K39 PolarHBondContact O-N 3.48Å; K39-T42 PolarHBondContact O-OG1 3.26Å; K39-T43 PolarHBondContact O-OG1 2.88Å
40	T	53.4	Low	59.3	Low	38 Å²	38	114.8 Å²	114.8	23%	0.233	61%	0.611	C	S	.	*	H	α-helix	trans	-89.8	-25.7	167	68.3	0	0	0	0	114.3	K36 S37 S38 T43 K44	K36-T40 VanDerWaalsContact O-CG2 3.27Å; K36-T40 WeakPolarHBondContact O-CG2 3.49Å; K36-T40 PolarHBondContact O-N 2.85Å; K36-T40 PolarHBondContact O-OG1 2.86Å; S37-T40 CarbonylContact O-C 3.43Å; S37-T40 VanDerWaalsContact O-CA 3.31Å; S37-T40 WeakPolarHBondContact O-CA 3.18Å; S37-T40 PolarHBondContact O-N 3.24Å; S37-T40 PolarHBondContact O-OG1 3.47Å; S38-T40 PolarHBondContact O-N 3.16Å; T40-T43 WeakPolarHBondContact CA-OG1 3.5Å; T40-T43 CarbonylContact O-C 3.52Å; T40-T43 VanDerWaalsContact O-C 3.23Å; T40-T43 PolarHBondContact O-N 3.39Å; T40-T43 PolarHBondContact O-OG1 3.24Å; T40-K44 VanDerWaalsContact CB-CE 3.44Å; T40-K44 VanDerWaalsContact CB-NZ 3.34Å; T40-K44 WeakPolarHBondContact O-CA 3.37Å; T40-K44 WeakPolarHBondContact O-CB 3.42Å; T40-K44 WeakPolarHBondContact O-CG 3.1Å; T40-K44 PolarHBondContact O-N 3.05Å; T40-K44 PolarHBondContact OG1-NZ 3.2Å
41	I	52	Low	57.5	Low	120 Å²	120	114.5 Å²	114.5	62%	0.615	62%	0.622	S	S	*	*	H	α-helix	trans	-66.2	-42.5	176.7	-73.4	163.5	0	0	0	109.6	S37 S38 T43 K44	S37-I41 WeakPolarHBondContact O-CG1 3.47Å; S37-I41 PolarHBondContact O-N 3.39Å; S38-I41 PolarHBondContact O-N 3.21Å; I41-T43 PolarHBondContact O-N 3.19Å; I41-K44 PolarHBondContact O-N 3.47Å
42	T	52.9	Low	55.5	Low	114 Å²	114	117.9 Å²	117.9	70%	0.699	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-2.8	171.2	58.2	0	0	0	0	114.3	S38 K39	S38-T42 PolarHBondContact O-N 3.05Å; S38-T42 VanDerWaalsContact O-N 3.14Å; S38-T42 PolarHBondContact O-OG1 3.03Å; K39-T42 PolarHBondContact O-OG1 3.26Å
43	T	51.2	Low	53.6	Low	104 Å²	104	123 Å²	123	64%	0.638	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.7	17.3	179.6	56.2	0	0	0	0	114.3	K39 T40 I41	K39-T43 PolarHBondContact O-OG1 2.88Å; T40-T43 WeakPolarHBondContact CA-OG1 3.5Å; T40-T43 CarbonylContact O-C 3.52Å; T40-T43 VanDerWaalsContact O-C 3.23Å; T40-T43 PolarHBondContact O-N 3.39Å; T40-T43 PolarHBondContact O-OG1 3.24Å; I41-T43 PolarHBondContact O-N 3.19Å
44	K	45.6	Very low	52.1	Low	138 Å²	138	120.5 Å²	120.5	60%	0.6	66%	0.664	S	S	*	*			trans	-133	9.6	-177.6	-78.2	-179.5	-179.6	156.4	0	115.6	T40 I41 N46	T40-K44 VanDerWaalsContact CB-CE 3.44Å; T40-K44 VanDerWaalsContact CB-NZ 3.34Å; T40-K44 WeakPolarHBondContact O-CA 3.37Å; T40-K44 WeakPolarHBondContact O-CB 3.42Å; T40-K44 WeakPolarHBondContact O-CG 3.1Å; T40-K44 PolarHBondContact O-N 3.05Å; T40-K44 PolarHBondContact OG1-NZ 3.2Å; I41-K44 PolarHBondContact O-N 3.47Å; K44-N46 PolarHBondContact O-N 3.43Å
45	C	34.3	Very low	50.6	Low	104 Å²	104	123.8 Å²	123.8	70%	0.703	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	127	158.1	45.6	0	0	0	0	108.2
46	N	36.1	Very low	49.4	Very low	155 Å²	155	127 Å²	127	83%	0.829	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.7	63	175.3	-51	-14.6	0	0	0	118.5	K44	K44-N46 PolarHBondContact O-N 3.43Å
47	T	42.8	Very low	47.9	Very low	140 Å²	140	125.9 Å²	125.9	86%	0.859	70%	0.695	S	S	*	*			trans	-152.9	97.9	130.6	-34.2	0	0	0	0	112.1
48	S	41.6	Very low	47.1	Very low	105 Å²	105	130.3 Å²	130.3	73%	0.734	71%	0.714	S	S	*	*			trans	-102	143.7	165.6	-75.9	0	0	0	0	110.4
49	N	36.4	Very low	46.6	Very low	151 Å²	151	134 Å²	134	81%	0.807	73%	0.733	S	S	*	*	S	Bend	trans	34	112.9	154.9	-57.9	-16.4	0	0	0	119.3
50	N	35.6	Very low	46.7	Very low	153 Å²	153	130.1 Å²	130.1	82%	0.818	74%	0.735	S	S	*	*			trans	63.2	125.9	173.2	-58.9	-24.6	0	0	0	115.1
51	D	44.2	Very low	47.6	Very low	152 Å²	152	135.7 Å²	135.7	81%	0.813	76%	0.762	S	S	*	*				-169.7	154.1	113.6	-106.1	-22.1	0	0	0	112.7
52	N	42	Very low	49.1	Very low	149 Å²	149	141.6 Å²	141.6	80%	0.797	78%	0.777	S	S	*	*	S	Bend	trans	-87.2	132.9	169.7	-68.3	-67.1	0	0	0	109.8	T54	N52-T54 PolarHBondContact O-N 3.3Å
53	N	39	Very low	50.8	Low	170 Å²	170	144 Å²	144	91%	0.909	77%	0.773	S	S	*	*	S	Bend	trans	64.4	40.1	149.5	-157.6	44	0	0	0	119.1
54	T	49.9	Very low	52.9	Low	118 Å²	118	143.2 Å²	143.2	72%	0.724	77%	0.77	S	S	*	*			trans	-122.1	134.5	166.5	-48.2	0	0	0	0	111.8	N52	N52-T54 PolarHBondContact O-N 3.3Å
55	Q	50.8	Low	55.3	Low	177 Å²	177	142.1 Å²	142.1	83%	0.827	77%	0.765	S	S	*	*			trans	-87.2	108.5	174.9	-64.3	-175.5	17.3	0	0	110.7
56	L	55.6	Low	58.3	Low	158 Å²	158	137.9 Å²	137.9	83%	0.827	74%	0.737	S	S	*	*			trans	-98.7	110	158.3	-69.4	-179	0	0	0	108.8	I58	L56-I58 VanDerWaalsContact C-N 3.33Å; L56-I58 PolarHBondContact O-N 3.28Å
57	N	43.4	Very low	61.2	Low	137 Å²	137	132.2 Å²	132.2	73%	0.733	71%	0.711	S	S	*	*			trans	-88	66.4	-165.8	-159.5	10.6	0	0	0	111.5	V59	N57-V59 PolarHBondContact O-N 3.24Å; N57-V59 VanDerWaalsContact O-N 3.09Å
58	I	56.3	Low	63.9	Low	139 Å²	139	127.8 Å²	127.8	71%	0.713	68%	0.679	S	S	*	*			trans	-62.4	112.2	170.4	-60.9	177.8	0	0	0	107.9	L56 G60	L56-I58 VanDerWaalsContact C-N 3.33Å; L56-I58 PolarHBondContact O-N 3.28Å; I58-G60 PolarHBondContact O-N 2.88Å
59	V	56.7	Low	66.6	Low	144 Å²	144	123 Å²	123	87%	0.873	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	109.2	-172.3	-179.7	0	0	0	0	110.4	N57	N57-V59 PolarHBondContact O-N 3.24Å; N57-V59 VanDerWaalsContact O-N 3.09Å
60	G	61.2	Low	69.5	Low	66 Å²	66	123.5 Å²	123.5	68%	0.68	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	124.5	-36	168.2	0	0	0	0	0	116.1	I58 R62	I58-G60 PolarHBondContact O-N 2.88Å; G60-R62 PolarHBondContact O-N 3.27Å
61	L	71.7	Confident	72.4	Confident	155 Å²	155	118.5 Å²	118.5	81%	0.812	61%	0.609	S	S	*	*			trans	-84.3	71.5	-163.9	-149.7	75.3	0	0	0	114.3	R63	L61-R63 PolarHBondContact O-N 3.27Å; L61-R63 VanDerWaalsContact O-N 3.11Å
62	R	84.7	Confident	75	Confident	244 Å²	244	114.1 Å²	114.1	92%	0.921	58%	0.584	S	S	*	*			trans	-59.6	111	178.6	-71.8	-175.8	174.9	138.8	-0.4	112.2	G60	G60-R62 PolarHBondContact O-N 3.27Å
63	R	88.7	Confident	77.7	Confident	164 Å²	164	110.2 Å²	110.2	62%	0.619	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-65.7	133.8	175.1	-61.7	172.3	76.7	-177.5	5.3	110.6	L61 W77	L61-R63 PolarHBondContact O-N 3.27Å; L61-R63 VanDerWaalsContact O-N 3.11Å; R63-W77 HydrophobicContact CB-CE3 3.72Å; R63-W77 HydrophobicContact CB-CH2 4.34Å; R63-W77 HydrophobicContact CB-CZ3 3.57Å; R63-W77 WeakPolarHBondContact O-CZ3 3.5Å
64	P	94.4	Very high	80.4	Confident	88 Å²	88	106.5 Å²	106.5	57%	0.571	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-74.2	137.8	-176.3	27.9	-34.5	0	0	0	112.9	V78	P64-V78 HydrophobicContact CB-CB 4.41Å; P64-V78 HydrophobicContact CB-CG2 4.04Å; P64-V78 HydrophobicContact CG-CB 4.29Å; P64-V78 HydrophobicContact CG-CG2 4.46Å; P64-V78 PolarHBondContact O-N 3.22Å
65	K	96.4	Very high	82.6	Confident	115 Å²	115	106.8 Å²	106.8	50%	0.5	55%	0.554	S	S	.	*	B	Isolated β-bridge	trans	-102	145.9	177.2	-68.1	-174.1	-77.6	-173.9	0	111.4	A67 I75 A76 W77 V78	K65-A67 PolarHBondContact O-N 3.3Å; K65-I75 HydrophobicContact CD-CG2 3.71Å; K65-I75 HydrophobicContact CG-CG2 4.41Å; K65-A76 CarbonylContact C-O 3.6Å; K65-A76 WeakPolarHBondContact CA-O 3.48Å; K65-W77 HydrophobicContact CD-CZ3 4.37Å; K65-W77 HydrophobicContact CG-CE3 3.88Å; K65-W77 HydrophobicContact CG-CZ3 3.78Å; K65-V78 VanDerWaalsContact C-CG2 3.47Å; K65-V78 WeakPolarHBondContact O-CG2 3.46Å
66	C	97.7	Very high	84.8	Confident	15 Å²	15	99.4 Å²	99.4	10%	0.101	52%	0.523	C	S	.	.	P	Polyproline II helix	trans	-65.6	118.3	178.5	-179.5	0	0	0	0	111	C69 R70 A76 H81	C66-C69 HydrophobicContact CB-CB 4.13Å; C66-R70 WeakPolarHBondContact O-CB 3.38Å; C66-R70 PolarHBondContact O-N 2.94Å; C66-R70 VanDerWaalsContact O-N 3.1Å; C66-A76 HydrophobicContact CB-CB 4.21Å; C66-A76 PolarHBondContact N-O 3.01Å; C66-H81 PolarHBondContact SG-CD2 3.26Å; C66-H81 PolarHBondContact SG-NE2 3.13Å
67	A	97.1	Very high	86.7	Confident	36 Å²	36	97.8 Å²	97.8	30%	0.298	51%	0.506	S	S	.	.	H	α-helix	trans	-65.1	-40.5	-179.3	0	0	0	0	0	112.2	K65 R70 N71 I98	K65-A67 PolarHBondContact O-N 3.3Å; A67-R70 PolarHBondContact O-N 2.94Å; A67-N71 PolarHBondContact O-N 2.81Å; A67-N71 PolarHBondContact O-OD1 3.31Å; A67-I98 VanDerWaalsContact C-CD1 3.42Å; A67-I98 HydrophobicContact CB-CD1 3.56Å; A67-I98 HydrophobicContact CB-CG1 4.21Å; A67-I98 HydrophobicContact CB-CG2 4.38Å
68	R	97.9	Very high	89.2	Confident	47 Å²	47	94.5 Å²	94.5	18%	0.177	49%	0.491	C	S	.	.	H	α-helix	trans	-60.2	-53.3	177.7	-71.6	174.3	170.8	-85.1	4.1	111.4	R70 N71 H72 Y87 R88 C90 I98	R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 3.31Å; R68-N71 WeakPolarHBondContact O-CB 3.31Å; R68-N71 PolarHBondContact O-N 3.42Å; R68-H72 PolarHBondContact O-CD2 3.07Å; R68-H72 VanDerWaalsContact O-CD2 3.23Å; R68-Y87 WeakPolarHBondContact CD-O 3.43Å; R68-Y87 PolarHBondContact NH1-O 3.46Å; R68-R88 PolarHBondContact NE-O 3.47Å; R68-R88 PolarHBondContact NH1-O 2.98Å; R68-R88 PolarHBondContact NH2-O 3.43Å; R68-C90 PolarHBondContact NH1-O 3.21Å; R68-I98 HydrophobicContact CG-CD1 4.26Å
69	C	98.2	Very high	91	Very high	4 Å²	4	97.1 Å²	97.1	3%	0.027	50%	0.497	C	S	.	.	H	α-helix	trans	-58.6	-41.2	176.2	-70.2	0	0	0	0	113	C66 N71 H72 G73 L74 A76 H81 C85 Y87	C66-C69 HydrophobicContact CB-CB 4.13Å; C69-N71 PolarHBondContact O-N 3.36Å; C69-H72 CarbonylContact O-C 3.23Å; C69-H72 WeakPolarHBondContact O-CA 3.5Å; C69-H72 PolarHBondContact O-N 3.48Å; C69-G73 PolarHBondContact O-N 2.96Å; C69-L74 CarbonylContact C-O 3.35Å; C69-L74 HydrophobicContact CB-CB 4.14Å; C69-L74 VanDerWaalsContact CB-O 3.26Å; C69-L74 WeakPolarHBondContact CB-O 3.39Å; C69-L74 PolarHBondContact O-N 2.99Å; C69-A76 HydrophobicContact CB-CB 4.3Å; C69-H81 VanDerWaalsContact SG-CE1 3.53Å; C69-H81 PolarHBondContact SG-NE2 3.46Å; C69-C85 VanDerWaalsContact SG-SG 3.7Å; C69-Y87 HydrophobicContact CB-CD2 4.32Å; C69-Y87 HydrophobicContact CB-CE2 4.47Å
70	R	97.6	Very high	92.9	Very high	162 Å²	162	93.6 Å²	93.6	61%	0.611	49%	0.49	S	S	*	.	H	α-helix	trans	-57.9	-37.5	179.4	-174.8	-171.1	66.2	170.1	0.6	112.1	C66 A67 R68 H72 G73 L74	C66-R70 WeakPolarHBondContact O-CB 3.38Å; C66-R70 PolarHBondContact O-N 2.94Å; C66-R70 VanDerWaalsContact O-N 3.1Å; A67-R70 PolarHBondContact O-N 2.94Å; R68-R70 VanDerWaalsContact C-N 3.32Å; R68-R70 PolarHBondContact O-N 3.31Å; R70-H72 PolarHBondContact O-N 3.25Å; R70-G73 PolarHBondContact O-N 3.08Å; R70-L74 WeakPolarHBondContact CA-O 3.49Å; R70-L74 PolarHBondContact N-O 3.4Å
71	N	97.7	Very high	94.6	Very high	48 Å²	48	91.9 Å²	91.9	26%	0.257	46%	0.464	S	S	.	.	H	α-helix	trans	-66	-19.9	177.1	-67.8	2.6	0	0	0	113.4	A67 R68 C69 Q94 I98	A67-N71 PolarHBondContact O-N 2.81Å; A67-N71 PolarHBondContact O-OD1 3.31Å; R68-N71 WeakPolarHBondContact O-CB 3.31Å; R68-N71 PolarHBondContact O-N 3.42Å; C69-N71 PolarHBondContact O-N 3.36Å; N71-Q94 HydrophobicContact CB-CB 4.19Å; N71-Q94 WeakPolarHBondContact ND2-CB 3.39Å; N71-Q94 PolarHBondContact ND2-O 3.49Å; N71-I98 WeakPolarHBondContact ND2-CD1 3.28Å
72	H	98.4	Very high	95.7	Very high	61 Å²	61	91.3 Å²	91.3	28%	0.282	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	20.2	177.5	-60.5	-74	0	0	0	112.4	R68 C69 R70 L74 Y87 C90 C95	R68-H72 PolarHBondContact O-CD2 3.07Å; R68-H72 VanDerWaalsContact O-CD2 3.23Å; C69-H72 CarbonylContact O-C 3.23Å; C69-H72 WeakPolarHBondContact O-CA 3.5Å; C69-H72 PolarHBondContact O-N 3.48Å; R70-H72 PolarHBondContact O-N 3.25Å; H72-L74 PolarHBondContact O-N 2.92Å; H72-Y87 HydrophobicContact CB-CD1 4.35Å; H72-Y87 HydrophobicContact CB-CD2 4.14Å; H72-Y87 HydrophobicContact CB-CE1 3.83Å; H72-Y87 HydrophobicContact CB-CE2 3.59Å; H72-Y87 HydrophobicContact CB-CG 4.48Å; H72-Y87 VanDerWaalsContact CB-CZ 3.41Å; H72-Y87 AromaticContact CD2-CD1 3.42Å; H72-Y87 VanDerWaalsContact CD2-CD1 3.42Å; H72-Y87 WeakPolarHBondContact CD2-CD1 3.48Å; H72-Y87 AromaticContact CD2-CD2 3.6Å; H72-Y87 AromaticContact CD2-CE1 3.81Å; H72-Y87 AromaticContact CD2-CE2 3.96Å; H72-Y87 AromaticContact CD2-CG 3.3Å; H72-Y87 AromaticContact CG-CD1 3.79Å; H72-Y87 AromaticContact CG-CE1 3.68Å; H72-Y87 AromaticContact CG-CZ 3.79Å; H72-Y87 AromaticContact NE2-CD1 3.75Å; H72-Y87 AromaticContact NE2-CG 3.85Å; H72-C90 VanDerWaalsContact CE1-SG 3.54Å; H72-C90 PolarHBondContact NE2-SG 3.45Å; H72-C90 VanDerWaalsContact NE2-SG 3.39Å; H72-C95 PolarHBondContact NE2-SG 3.12Å; H72-C95 VanDerWaalsContact NE2-SG 3.43Å
73	G	97.4	Very high	96.3	Very high	66 Å²	66	90.2 Å²	90.2	68%	0.68	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-5	177.9	0	0	0	0	0	115.8	C69 R70	C69-G73 PolarHBondContact O-N 2.96Å; R70-G73 PolarHBondContact O-N 3.08Å
74	L	96.9	Very high	96.6	Very high	93 Å²	93	88.4 Å²	88.4	49%	0.487	45%	0.454	S	S	.	.			trans	-92.2	137.2	179.8	-62.5	-169.8	0	0	0	112.2	C69 R70 H72 Y87	C69-L74 CarbonylContact C-O 3.35Å; C69-L74 HydrophobicContact CB-CB 4.14Å; C69-L74 VanDerWaalsContact CB-O 3.26Å; C69-L74 WeakPolarHBondContact CB-O 3.39Å; C69-L74 PolarHBondContact O-N 2.99Å; R70-L74 WeakPolarHBondContact CA-O 3.49Å; R70-L74 PolarHBondContact N-O 3.4Å; H72-L74 PolarHBondContact O-N 2.92Å; L74-Y87 HydrophobicContact CB-CE2 4.49Å; L74-Y87 HydrophobicContact CD1-CE2 3.96Å; L74-Y87 WeakPolarHBondContact CD1-OH 3.44Å; L74-Y87 HydrophobicContact CG-CE2 4.37Å
75	I	96.2	Very high	96.8	Very high	124 Å²	124	84.9 Å²	84.9	64%	0.636	43%	0.431	S	S	*	.			trans	-103.2	109.1	176	-66.3	175.7	0	0	0	109.7	K65	K65-I75 HydrophobicContact CD-CG2 3.71Å; K65-I75 HydrophobicContact CG-CG2 4.41Å
76	A	96.5	Very high	96.9	Very high	22 Å²	22	83.7 Å²	83.7	18%	0.182	44%	0.443	C	S	.	.			trans	-121.6	147.4	170.7	0	0	0	0	0	110.7	K65 C66 C69 H81	K65-A76 CarbonylContact C-O 3.6Å; K65-A76 WeakPolarHBondContact CA-O 3.48Å; C66-A76 HydrophobicContact CB-CB 4.21Å; C66-A76 PolarHBondContact N-O 3.01Å; C69-A76 HydrophobicContact CB-CB 4.3Å; A76-H81 VanDerWaalsContact CB-CE1 3.45Å; A76-H81 WeakPolarHBondContact CB-CE1 3.49Å
77	W	96.5	Very high	96.9	Very high	124 Å²	124	85.7 Å²	85.7	47%	0.47	45%	0.448	S	S	.	.	B	Isolated β-bridge	trans	-80.8	145.8	172.4	-56.5	108.8	0	0	0	110.5	R63 K65 K79 H81	R63-W77 HydrophobicContact CB-CE3 3.72Å; R63-W77 HydrophobicContact CB-CH2 4.34Å; R63-W77 HydrophobicContact CB-CZ3 3.57Å; R63-W77 WeakPolarHBondContact O-CZ3 3.5Å; K65-W77 HydrophobicContact CD-CZ3 4.37Å; K65-W77 HydrophobicContact CG-CE3 3.88Å; K65-W77 HydrophobicContact CG-CZ3 3.78Å; W77-K79 PolarHBondContact O-N 2.92Å; W77-H81 WeakPolarHBondContact O-CB 3.3Å
78	V	95.4	Very high	96.9	Very high	68 Å²	68	88.7 Å²	88.7	41%	0.412	45%	0.452	S	S	.	.	S	Bend	trans	-68.9	-33.3	-177.1	178.6	0	0	0	0	112.9	P64 K65 G80 H81	P64-V78 HydrophobicContact CB-CB 4.41Å; P64-V78 HydrophobicContact CB-CG2 4.04Å; P64-V78 HydrophobicContact CG-CB 4.29Å; P64-V78 HydrophobicContact CG-CG2 4.46Å; P64-V78 PolarHBondContact O-N 3.22Å; K65-V78 VanDerWaalsContact C-CG2 3.47Å; K65-V78 WeakPolarHBondContact O-CG2 3.46Å; V78-G80 PolarHBondContact O-N 3.29Å; V78-G80 VanDerWaalsContact O-N 3.12Å; V78-H81 PolarHBondContact O-N 3.07Å
79	K	94.8	Very high	96.8	Very high	194 Å²	194	91.9 Å²	91.9	84%	0.843	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	114.4	-175.8	-173.9	-175.9	174.9	75.2	0	110.6	W77 H81	W77-K79 PolarHBondContact O-N 2.92Å; K79-H81 VanDerWaalsContact C-N 3.31Å
80	G	95.4	Very high	96.8	Very high	70 Å²	70	93.4 Å²	93.4	72%	0.722	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	-4.4	-178.5	0	0	0	0	0	115.3	V78	V78-G80 PolarHBondContact O-N 3.29Å; V78-G80 VanDerWaalsContact O-N 3.12Å
81	H	97	Very high	96.8	Very high	29 Å²	29	94.3 Å²	94.3	13%	0.134	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-14.9	-166.4	177.3	78.9	0	0	0	115.4	C66 C69 A76 W77 V78 K79 R83 N84 C85	C66-H81 PolarHBondContact SG-CD2 3.26Å; C66-H81 PolarHBondContact SG-NE2 3.13Å; C69-H81 VanDerWaalsContact SG-CE1 3.53Å; C69-H81 PolarHBondContact SG-NE2 3.46Å; A76-H81 VanDerWaalsContact CB-CE1 3.45Å; A76-H81 WeakPolarHBondContact CB-CE1 3.49Å; W77-H81 WeakPolarHBondContact O-CB 3.3Å; V78-H81 PolarHBondContact O-N 3.07Å; K79-H81 VanDerWaalsContact C-N 3.31Å; H81-R83 VanDerWaalsContact C-N 3.3Å; H81-R83 PolarHBondContact O-N 3.33Å; H81-N84 CarbonylContact O-C 3.43Å; H81-N84 PolarHBondContact O-N 2.96Å; H81-C85 WeakPolarHBondContact NE2-CB 3.49Å; H81-C85 PolarHBondContact NE2-SG 2.97Å; H81-C85 VanDerWaalsContact NE2-SG 3.35Å; H81-C85 PolarHBondContact O-N 3.27Å
82	K	95.1	Very high	96.9	Very high	143 Å²	143	93.8 Å²	93.8	62%	0.622	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-51.8	-45.3	-174	-166.6	-167.7	-179.5	-168.6	0	113.2	D247	K82-D247 IonicContact NZ-OD1 2.58Å; K82-D247 PolarHBondContact NZ-OD1 3.04Å
83	R	96.6	Very high	96.9	Very high	222 Å²	222	95.6 Å²	95.6	84%	0.838	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-82.1	-20.1	180	-65.8	180	178.6	161.2	-1.3	113.7	H81	H81-R83 VanDerWaalsContact C-N 3.3Å; H81-R83 PolarHBondContact O-N 3.33Å
84	N	96.5	Very high	96.9	Very high	126 Å²	126	97.9 Å²	97.9	67%	0.674	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-105.9	16.8	-175.2	-60.9	73.5	0	0	0	112	H81 A86	H81-N84 CarbonylContact O-C 3.43Å; H81-N84 PolarHBondContact O-N 2.96Å; N84-A86 PolarHBondContact O-N 3.49Å
85	C	97.8	Very high	97	Very high	13 Å²	13	93.5 Å²	93.5	9%	0.088	48%	0.478	C	S	.	.			trans	-82.3	112.7	178.4	-172.2	0	0	0	0	109.8	C69 H81 Y87 R88	C69-C85 VanDerWaalsContact SG-SG 3.7Å; H81-C85 WeakPolarHBondContact NE2-CB 3.49Å; H81-C85 PolarHBondContact NE2-SG 2.97Å; H81-C85 VanDerWaalsContact NE2-SG 3.35Å; H81-C85 PolarHBondContact O-N 3.27Å; C85-Y87 PolarHBondContact O-N 3.42Å; C85-R88 HydrophobicContact CB-CB 4.25Å; C85-R88 WeakPolarHBondContact O-CB 3.45Å; C85-R88 PolarHBondContact O-N 2.89Å
86	A	97.4	Very high	97	Very high	91 Å²	91	92 Å²	92	75%	0.752	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-10.6	174.3	0	0	0	0	0	114.2	N84	N84-A86 PolarHBondContact O-N 3.49Å
87	Y	98	Very high	97.1	Very high	57 Å²	57	96.1 Å²	96.1	22%	0.224	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	19.4	177.3	-45.4	-70.8	0	0	0	112.9	R68 C69 H72 L74 C85 D89 C90	R68-Y87 WeakPolarHBondContact CD-O 3.43Å; R68-Y87 PolarHBondContact NH1-O 3.46Å; C69-Y87 HydrophobicContact CB-CD2 4.32Å; C69-Y87 HydrophobicContact CB-CE2 4.47Å; H72-Y87 HydrophobicContact CB-CD1 4.35Å; H72-Y87 HydrophobicContact CB-CD2 4.14Å; H72-Y87 HydrophobicContact CB-CE1 3.83Å; H72-Y87 HydrophobicContact CB-CE2 3.59Å; H72-Y87 HydrophobicContact CB-CG 4.48Å; H72-Y87 VanDerWaalsContact CB-CZ 3.41Å; H72-Y87 AromaticContact CD2-CD1 3.42Å; H72-Y87 VanDerWaalsContact CD2-CD1 3.42Å; H72-Y87 WeakPolarHBondContact CD2-CD1 3.48Å; H72-Y87 AromaticContact CD2-CD2 3.6Å; H72-Y87 AromaticContact CD2-CE1 3.81Å; H72-Y87 AromaticContact CD2-CE2 3.96Å; H72-Y87 AromaticContact CD2-CG 3.3Å; H72-Y87 AromaticContact CG-CD1 3.79Å; H72-Y87 AromaticContact CG-CE1 3.68Å; H72-Y87 AromaticContact CG-CZ 3.79Å; H72-Y87 AromaticContact NE2-CD1 3.75Å; H72-Y87 AromaticContact NE2-CG 3.85Å; L74-Y87 HydrophobicContact CB-CE2 4.49Å; L74-Y87 HydrophobicContact CD1-CE2 3.96Å; L74-Y87 WeakPolarHBondContact CD1-OH 3.44Å; L74-Y87 HydrophobicContact CG-CE2 4.37Å; C85-Y87 PolarHBondContact O-N 3.42Å; Y87-D89 PolarHBondContact O-N 3.42Å; Y87-C90 WeakPolarHBondContact O-CB 3.28Å; Y87-C90 PolarHBondContact O-N 2.8Å; Y87-C90 VanDerWaalsContact O-N 3.14Å
88	R	96.8	Very high	97.1	Very high	99 Å²	99	91.1 Å²	91.1	37%	0.374	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45	-49.3	177.1	178.1	-162.5	169.6	179.3	-2.6	110.3	R68 C85 E249	R68-R88 PolarHBondContact NE-O 3.47Å; R68-R88 PolarHBondContact NH1-O 2.98Å; R68-R88 PolarHBondContact NH2-O 3.43Å; C85-R88 HydrophobicContact CB-CB 4.25Å; C85-R88 WeakPolarHBondContact O-CB 3.45Å; C85-R88 PolarHBondContact O-N 2.89Å; R88-E249 IonicContact CZ-OE1 3.77Å; R88-E249 VanDerWaalsContact NH2-CD 3.32Å; R88-E249 IonicContact NH2-OE1 2.62Å; R88-E249 PolarHBondContact NH2-OE1 3.3Å; R88-E249 IonicContact NH2-OE2 3.2Å; R88-E249 PolarHBondContact NH2-OE2 3.21Å
89	D	97.2	Very high	97.2	Very high	113 Å²	113	91.1 Å²	91.1	60%	0.604	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	15.5	-171	-42.3	-64.5	0	0	0	112.2	Y87 K91	Y87-D89 PolarHBondContact O-N 3.42Å; D89-K91 WeakPolarHBondContact O-CG 3.48Å; D89-K91 PolarHBondContact O-N 2.93Å
90	C	98.2	Very high	97.3	Very high	36 Å²	36	86.2 Å²	86.2	24%	0.243	45%	0.451	C	S	.	.			trans	-67.2	128.4	-179.9	-173.9	0	0	0	0	111.5	R68 H72 Y87 C95	R68-C90 PolarHBondContact NH1-O 3.21Å; H72-C90 VanDerWaalsContact CE1-SG 3.54Å; H72-C90 PolarHBondContact NE2-SG 3.45Å; H72-C90 VanDerWaalsContact NE2-SG 3.39Å; Y87-C90 WeakPolarHBondContact O-CB 3.28Å; Y87-C90 PolarHBondContact O-N 2.8Å; Y87-C90 VanDerWaalsContact O-N 3.14Å; C90-C95 HydrophobicContact CB-CB 4.45Å; C90-C95 WeakPolarHBondContact O-CB 3.1Å
91	K	97.8	Very high	97.4	Very high	182 Å²	182	91.1 Å²	91.1	79%	0.791	45%	0.448	S	S	*	.			trans	-105.8	22.5	-177.3	-53.9	-175	-178.2	-179.9	0	113.5	D89 I96	D89-K91 WeakPolarHBondContact O-CG 3.48Å; D89-K91 PolarHBondContact O-N 2.93Å; K91-I96 WeakPolarHBondContact O-CD1 3.44Å
92	C	98.5	Very high	97.4	Very high	37 Å²	37	95 Å²	95	25%	0.25	47%	0.466	C	S	.	.	S	Bend	trans	-69.8	155.5	173.4	78	0	0	0	0	111	Q94 C95 I96	C92-Q94 VanDerWaalsContact C-N 3.27Å; C92-Q94 PolarHBondContact O-N 3.47Å; C92-Q94 VanDerWaalsContact O-N 3.17Å; C92-C95 PolarHBondContact O-N 3.19Å; C92-I96 PolarHBondContact O-N 3.12Å
93	P	98.2	Very high	97.5	Very high	99 Å²	99	96.5 Å²	96.5	64%	0.643	47%	0.468	S	S	*	.	H	α-helix	trans	-53.6	-41.6	-176	-28.8	35.7	0	0	0	113.8	C95 I96 L97	P93-C95 VanDerWaalsContact C-N 3.31Å; P93-C95 PolarHBondContact O-N 2.88Å; P93-I96 PolarHBondContact O-N 3.41Å; P93-L97 WeakPolarHBondContact O-CG 3.39Å; P93-L97 PolarHBondContact O-N 3.31Å
94	Q	97.9	Very high	97.5	Very high	114 Å²	114	90 Å²	90	53%	0.533	45%	0.452	S	S	.	.	H	α-helix	trans	-63.2	-33.7	178	-65.7	-64.8	-26.9	0	0	113	N71 C92	N71-Q94 HydrophobicContact CB-CB 4.19Å; N71-Q94 WeakPolarHBondContact ND2-CB 3.39Å; N71-Q94 PolarHBondContact ND2-O 3.49Å; C92-Q94 VanDerWaalsContact C-N 3.27Å; C92-Q94 PolarHBondContact O-N 3.47Å; C92-Q94 VanDerWaalsContact O-N 3.17Å
95	C	98.3	Very high	97.5	Very high	0 Å²	0	89.1 Å²	89.1	0%	0	45%	0.445	C	S	.	.	H	α-helix	trans	-82.5	-31	176.9	-76.3	0	0	0	0	112.6	H72 C90 C92 P93 L97 I98 V99	H72-C95 PolarHBondContact NE2-SG 3.12Å; H72-C95 VanDerWaalsContact NE2-SG 3.43Å; C90-C95 HydrophobicContact CB-CB 4.45Å; C90-C95 WeakPolarHBondContact O-CB 3.1Å; C92-C95 PolarHBondContact O-N 3.19Å; P93-C95 VanDerWaalsContact C-N 3.31Å; P93-C95 PolarHBondContact O-N 2.88Å; C95-L97 VanDerWaalsContact C-N 3.34Å; C95-I98 WeakPolarHBondContact O-CB 3.47Å; C95-I98 PolarHBondContact O-N 3.49Å; C95-I98 VanDerWaalsContact O-N 3.16Å; C95-V99 PolarHBondContact O-N 2.91Å
96	I	98.1	Very high	97.5	Very high	94 Å²	94	91.4 Å²	91.4	48%	0.482	47%	0.465	S	S	.	.	H	α-helix	trans	-61.2	-43.7	169.5	-65.9	169.2	0	0	0	110.4	K91 C92 P93 I98 V99 E100	K91-I96 WeakPolarHBondContact O-CD1 3.44Å; C92-I96 PolarHBondContact O-N 3.12Å; P93-I96 PolarHBondContact O-N 3.41Å; I96-I98 PolarHBondContact O-N 3.02Å; I96-V99 PolarHBondContact O-N 3.15Å; I96-E100 PolarHBondContact O-N 3.16Å
97	L	97.4	Very high	97.4	Very high	108 Å²	108	90.1 Å²	90.1	57%	0.565	46%	0.455	S	S	*	.	H	α-helix	trans	-62.2	-21.5	175	-70.5	171.8	0	0	0	114.1	P93 C95 R101	P93-L97 WeakPolarHBondContact O-CG 3.39Å; P93-L97 PolarHBondContact O-N 3.31Å; C95-L97 VanDerWaalsContact C-N 3.34Å; L97-R101 VanDerWaalsContact O-CB 3.24Å; L97-R101 WeakPolarHBondContact O-CB 3.22Å; L97-R101 PolarHBondContact O-N 2.91Å
98	I	97.2	Very high	97.4	Very high	19 Å²	19	93.9 Å²	93.9	10%	0.097	47%	0.474	C	S	.	.	H	α-helix	trans	-74.9	-45.4	169.9	-69.7	169.4	0	0	0	110.3	A67 R68 N71 C95 I96 R101 Q102	A67-I98 VanDerWaalsContact C-CD1 3.42Å; A67-I98 HydrophobicContact CB-CD1 3.56Å; A67-I98 HydrophobicContact CB-CG1 4.21Å; A67-I98 HydrophobicContact CB-CG2 4.38Å; R68-I98 HydrophobicContact CG-CD1 4.26Å; N71-I98 WeakPolarHBondContact ND2-CD1 3.28Å; C95-I98 WeakPolarHBondContact O-CB 3.47Å; C95-I98 PolarHBondContact O-N 3.49Å; C95-I98 VanDerWaalsContact O-N 3.16Å; I96-I98 PolarHBondContact O-N 3.02Å; I98-R101 PolarHBondContact O-N 3.37Å; I98-Q102 HydrophobicContact CG2-CG 4.29Å; I98-Q102 WeakPolarHBondContact O-CB 3.49Å; I98-Q102 VanDerWaalsContact O-CG 3.28Å; I98-Q102 WeakPolarHBondContact O-CG 3.43Å; I98-Q102 PolarHBondContact O-N 3.34Å
99	V	96.5	Very high	97.5	Very high	68 Å²	68	92.6 Å²	92.6	41%	0.412	48%	0.477	S	S	.	.	H	α-helix	trans	-60.6	-49.7	-179	176.9	0	0	0	0	110.9	C95 I96 R101 Q102 R103	C95-V99 PolarHBondContact O-N 2.91Å; I96-V99 PolarHBondContact O-N 3.15Å; V99-R101 VanDerWaalsContact C-N 3.35Å; V99-R101 PolarHBondContact O-N 3.48Å; V99-Q102 WeakPolarHBondContact O-CA 3.18Å; V99-Q102 WeakPolarHBondContact O-CB 3.47Å; V99-Q102 PolarHBondContact O-N 2.84Å; V99-Q102 VanDerWaalsContact O-N 3.07Å; V99-R103 PolarHBondContact O-N 3.18Å
100	E	97.1	Very high	97.4	Very high	90 Å²	90	88.9 Å²	88.9	42%	0.421	46%	0.462	S	S	.	.	H	α-helix	trans	-68.2	-36.1	-178.1	-167.4	53.7	-142.2	0	0	111.8	I96 Q102 R103 V104	I96-E100 PolarHBondContact O-N 3.16Å; E100-Q102 VanDerWaalsContact C-N 3.32Å; E100-Q102 PolarHBondContact O-N 3.11Å; E100-R103 WeakPolarHBondContact O-CB 3.42Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 WeakPolarHBondContact OE1-CD 3.38Å; E100-R103 WeakPolarHBondContact OE2-CD 3.48Å; E100-R103 IonicContact OE2-NH1 3.81Å; E100-V104 WeakPolarHBondContact O-CG2 3.43Å; E100-V104 PolarHBondContact O-N 3.14Å
101	R	97.7	Very high	97.4	Very high	174 Å²	174	91.6 Å²	91.6	66%	0.657	47%	0.474	S	S	*	.	H	α-helix	trans	-59.8	-41.8	169.5	-179.5	-176.4	-62.7	-90.9	-2.1	111.8	L97 I98 V99 M105	L97-R101 VanDerWaalsContact O-CB 3.24Å; L97-R101 WeakPolarHBondContact O-CB 3.22Å; L97-R101 PolarHBondContact O-N 2.91Å; I98-R101 PolarHBondContact O-N 3.37Å; V99-R101 VanDerWaalsContact C-N 3.35Å; V99-R101 PolarHBondContact O-N 3.48Å; R101-M105 HydrophobicContact CG-CG 4.42Å; R101-M105 HydrophobicContact CG-SD 3.94Å; R101-M105 WeakPolarHBondContact O-CB 3.39Å; R101-M105 VanDerWaalsContact O-CG 3.23Å; R101-M105 WeakPolarHBondContact O-CG 3.27Å; R101-M105 PolarHBondContact O-N 3.47Å
102	Q	97	Very high	97.3	Very high	110 Å²	110	90.2 Å²	90.2	51%	0.514	47%	0.468	S	S	.	.	H	α-helix	trans	-65.7	-38.3	177.4	-74.9	177.7	-55.5	0	0	111.6	I98 V99 E100 M105 A106	I98-Q102 HydrophobicContact CG2-CG 4.29Å; I98-Q102 WeakPolarHBondContact O-CB 3.49Å; I98-Q102 VanDerWaalsContact O-CG 3.28Å; I98-Q102 WeakPolarHBondContact O-CG 3.43Å; I98-Q102 PolarHBondContact O-N 3.34Å; V99-Q102 WeakPolarHBondContact O-CA 3.18Å; V99-Q102 WeakPolarHBondContact O-CB 3.47Å; V99-Q102 PolarHBondContact O-N 2.84Å; V99-Q102 VanDerWaalsContact O-N 3.07Å; E100-Q102 VanDerWaalsContact C-N 3.32Å; E100-Q102 PolarHBondContact O-N 3.11Å; Q102-M105 PolarHBondContact O-N 3.36Å; Q102-A106 WeakPolarHBondContact O-CB 3.23Å; Q102-A106 PolarHBondContact O-N 3.24Å
103	R	97.2	Very high	97.2	Very high	175 Å²	175	94.4 Å²	94.4	66%	0.66	48%	0.478	S	S	*	.	H	α-helix	trans	-59.9	-51.6	173.5	-170.2	-173.8	-168.7	166.3	3.6	112.2	V99 E100 M105 A106 A107	V99-R103 PolarHBondContact O-N 3.18Å; E100-R103 WeakPolarHBondContact O-CB 3.42Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 WeakPolarHBondContact OE1-CD 3.38Å; E100-R103 WeakPolarHBondContact OE2-CD 3.48Å; E100-R103 IonicContact OE2-NH1 3.81Å; R103-M105 PolarHBondContact O-N 2.96Å; R103-A106 PolarHBondContact O-N 3.11Å; R103-A107 PolarHBondContact O-N 2.79Å
104	V	97	Very high	97.1	Very high	85 Å²	85	95.8 Å²	95.8	52%	0.515	47%	0.471	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177.9	174.5	0	0	0	0	111.2	E100 A106 A107 Q108	E100-V104 WeakPolarHBondContact O-CG2 3.43Å; E100-V104 PolarHBondContact O-N 3.14Å; V104-A106 PolarHBondContact O-N 3.12Å; V104-A107 PolarHBondContact O-N 3.07Å; V104-Q108 WeakPolarHBondContact O-CB 3.46Å; V104-Q108 PolarHBondContact O-N 2.94Å
105	M	97.1	Very high	97	Very high	107 Å²	107	94.7 Å²	94.7	53%	0.527	47%	0.465	S	S	.	.	H	α-helix	trans	-64	-37.3	176.1	-73.2	178.8	69	0	0	112.7	R101 Q102 R103 V109	R101-M105 HydrophobicContact CG-CG 4.42Å; R101-M105 HydrophobicContact CG-SD 3.94Å; R101-M105 WeakPolarHBondContact O-CB 3.39Å; R101-M105 VanDerWaalsContact O-CG 3.23Å; R101-M105 WeakPolarHBondContact O-CG 3.27Å; R101-M105 PolarHBondContact O-N 3.47Å; Q102-M105 PolarHBondContact O-N 3.36Å; R103-M105 PolarHBondContact O-N 2.96Å; M105-V109 WeakPolarHBondContact O-CB 3.45Å; M105-V109 VanDerWaalsContact O-CG2 3.26Å; M105-V109 WeakPolarHBondContact O-CG2 3.19Å; M105-V109 PolarHBondContact O-N 3.37Å
106	A	96.5	Very high	96.8	Very high	61 Å²	61	97.1 Å²	97.1	50%	0.504	49%	0.485	S	S	.	.	H	α-helix	trans	-65	-46.4	176.1	0	0	0	0	0	111.4	Q102 R103 V104 Q108 V109 A110	Q102-A106 WeakPolarHBondContact O-CB 3.23Å; Q102-A106 PolarHBondContact O-N 3.24Å; R103-A106 PolarHBondContact O-N 3.11Å; V104-A106 PolarHBondContact O-N 3.12Å; A106-Q108 PolarHBondContact O-N 3.12Å; A106-V109 PolarHBondContact O-N 2.89Å; A106-A110 WeakPolarHBondContact O-CB 3.23Å; A106-A110 PolarHBondContact O-N 2.8Å
107	A	96.4	Very high	96.5	Very high	64 Å²	64	95 Å²	95	53%	0.529	48%	0.477	S	S	.	.	H	α-helix	trans	-60.4	-44.1	175.4	0	0	0	0	0	112.2	R103 V104 V109 A110 L111	R103-A107 PolarHBondContact O-N 2.79Å; V104-A107 PolarHBondContact O-N 3.07Å; A107-V109 PolarHBondContact O-N 2.98Å; A107-A110 PolarHBondContact O-N 3.11Å; A107-L111 PolarHBondContact O-N 2.94Å
108	Q	97.9	Very high	96.2	Very high	137 Å²	137	94.1 Å²	94.1	64%	0.64	47%	0.47	S	S	*	.	H	α-helix	trans	-63.2	-40.1	176.7	-169.9	-176.8	18.9	0	0	112.3	V104 A106 K112	V104-Q108 WeakPolarHBondContact O-CB 3.46Å; V104-Q108 PolarHBondContact O-N 2.94Å; A106-Q108 PolarHBondContact O-N 3.12Å; Q108-K112 WeakPolarHBondContact O-CB 3.46Å; Q108-K112 PolarHBondContact O-N 2.71Å
109	V	97.8	Very high	95.9	Very high	72 Å²	72	96.9 Å²	96.9	44%	0.436	49%	0.485	S	S	.	.	H	α-helix	trans	-68.7	-37.8	175.7	167.6	0	0	0	0	111.4	M105 A106 A107 R113	M105-V109 WeakPolarHBondContact O-CB 3.45Å; M105-V109 VanDerWaalsContact O-CG2 3.26Å; M105-V109 WeakPolarHBondContact O-CG2 3.19Å; M105-V109 PolarHBondContact O-N 3.37Å; A106-V109 PolarHBondContact O-N 2.89Å; A107-V109 PolarHBondContact O-N 2.98Å; V109-R113 HydrophobicContact CG1-CG 4.44Å; V109-R113 WeakPolarHBondContact O-CB 3.39Å; V109-R113 VanDerWaalsContact O-CG 3.23Å; V109-R113 WeakPolarHBondContact O-CG 3.5Å; V109-R113 PolarHBondContact O-N 3.5Å
110	A	96.2	Very high	95.6	Very high	34 Å²	34	97.4 Å²	97.4	28%	0.281	49%	0.488	S	S	.	.	H	α-helix	trans	-64.2	-46.2	174.9	0	0	0	0	0	111.8	A106 A107 R113 R114 T243	A106-A110 WeakPolarHBondContact O-CB 3.23Å; A106-A110 PolarHBondContact O-N 2.8Å; A107-A110 PolarHBondContact O-N 3.11Å; A110-R113 PolarHBondContact O-N 2.97Å; A110-R114 PolarHBondContact O-N 3.16Å; A110-T243 HydrophobicContact CB-CG2 3.99Å
111	L	97.2	Very high	95.3	Very high	93 Å²	93	95 Å²	95	49%	0.487	48%	0.478	S	S	.	.	H	α-helix	trans	-58.6	-49.4	174.8	177.5	60.4	0	0	0	111.5	A107 R113 R114 Q115	A107-L111 PolarHBondContact O-N 2.94Å; L111-R113 VanDerWaalsContact C-N 3.3Å; L111-R113 PolarHBondContact O-N 3.29Å; L111-R114 WeakPolarHBondContact O-CB 3.12Å; L111-R114 PolarHBondContact O-N 3.27Å; L111-R114 VanDerWaalsContact O-N 3.12Å; L111-Q115 HydrophobicContact CD1-CG 4.37Å; L111-Q115 WeakPolarHBondContact O-CG 3.43Å; L111-Q115 PolarHBondContact O-N 2.83Å
112	K	97.1	Very high	95	Very high	153 Å²	153	88.3 Å²	88.3	67%	0.665	46%	0.46	S	S	*	.	H	α-helix	trans	-65.6	-31.5	179.6	-175.5	163.2	-176.5	165	0	113.1	Q108 A116	Q108-K112 WeakPolarHBondContact O-CB 3.46Å; Q108-K112 PolarHBondContact O-N 2.71Å; K112-A116 WeakPolarHBondContact O-CB 3.45Å; K112-A116 PolarHBondContact O-N 3.16Å
113	R	96.4	Very high	94.5	Very high	125 Å²	125	88.1 Å²	88.1	47%	0.472	46%	0.46	S	S	.	.	H	α-helix	trans	-66.5	-41.7	171.3	-77.7	172.2	-179.1	-174.5	0.5	111.6	V109 A110 L111 A116 V117 I242	V109-R113 HydrophobicContact CG1-CG 4.44Å; V109-R113 WeakPolarHBondContact O-CB 3.39Å; V109-R113 VanDerWaalsContact O-CG 3.23Å; V109-R113 WeakPolarHBondContact O-CG 3.5Å; V109-R113 PolarHBondContact O-N 3.5Å; A110-R113 PolarHBondContact O-N 2.97Å; L111-R113 VanDerWaalsContact C-N 3.3Å; L111-R113 PolarHBondContact O-N 3.29Å; R113-A116 PolarHBondContact O-N 2.91Å; R113-V117 WeakPolarHBondContact O-CG2 3.49Å; R113-V117 PolarHBondContact O-N 3.4Å; R113-I242 PolarHBondContact NH1-O 3.2Å
114	R	94.9	Very high	94	Very high	129 Å²	129	84.7 Å²	84.7	49%	0.487	46%	0.455	S	S	.	.	H	α-helix	trans	-63.3	-49.7	176.5	-167.7	-167.9	-68.6	-175.9	-4.8	111	A110 L111 A116 V117 E118	A110-R114 PolarHBondContact O-N 3.16Å; L111-R114 WeakPolarHBondContact O-CB 3.12Å; L111-R114 PolarHBondContact O-N 3.27Å; L111-R114 VanDerWaalsContact O-N 3.12Å; R114-A116 VanDerWaalsContact C-N 3.33Å; R114-A116 PolarHBondContact O-N 2.9Å; R114-V117 WeakPolarHBondContact O-CA 3.42Å; R114-V117 WeakPolarHBondContact O-CB 3.44Å; R114-V117 PolarHBondContact O-N 3.44Å; R114-E118 WeakPolarHBondContact CD-OE1 3.36Å; R114-E118 HydrophobicContact CG-CG 4.44Å; R114-E118 VanDerWaalsContact CG-OE1 3.22Å; R114-E118 WeakPolarHBondContact CG-OE1 3.45Å; R114-E118 PolarHBondContact O-N 3.3Å
115	Q	95.4	Very high	93.4	Very high	90 Å²	90	86.2 Å²	86.2	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-53.6	-48.8	175.5	-71.6	170.2	-32.2	0	0	111.5	L111 V117 E118 D119	L111-Q115 HydrophobicContact CD1-CG 4.37Å; L111-Q115 WeakPolarHBondContact O-CG 3.43Å; L111-Q115 PolarHBondContact O-N 2.83Å; Q115-V117 PolarHBondContact O-N 3.02Å; Q115-V117 VanDerWaalsContact O-N 3.11Å; Q115-E118 PolarHBondContact O-N 3.31Å; Q115-E118 VanDerWaalsContact O-N 3.12Å; Q115-D119 WeakPolarHBondContact O-CB 3.46Å; Q115-D119 PolarHBondContact O-N 2.74Å
116	A	95.1	Very high	92.7	Very high	51 Å²	51	85.7 Å²	85.7	42%	0.421	45%	0.447	S	S	.	.	H	α-helix	trans	-65.1	-14.8	177.9	0	0	0	0	0	114.9	K112 R113 R114 V120	K112-A116 WeakPolarHBondContact O-CB 3.45Å; K112-A116 PolarHBondContact O-N 3.16Å; R113-A116 PolarHBondContact O-N 2.91Å; R114-A116 VanDerWaalsContact C-N 3.33Å; R114-A116 PolarHBondContact O-N 2.9Å; A116-V120 VanDerWaalsContact O-CG2 3.31Å; A116-V120 WeakPolarHBondContact O-CG2 3.26Å
117	V	91.7	Very high	92	Very high	49 Å²	49	87.4 Å²	87.4	30%	0.297	45%	0.445	S	S	.	.	H	α-helix	trans	-90.3	-42.4	170.6	172.1	0	0	0	0	110.6	R113 R114 Q115 D119 V120 I121 I235 I239	R113-V117 WeakPolarHBondContact O-CG2 3.49Å; R113-V117 PolarHBondContact O-N 3.4Å; R114-V117 WeakPolarHBondContact O-CA 3.42Å; R114-V117 WeakPolarHBondContact O-CB 3.44Å; R114-V117 PolarHBondContact O-N 3.44Å; Q115-V117 PolarHBondContact O-N 3.02Å; Q115-V117 VanDerWaalsContact O-N 3.11Å; V117-D119 VanDerWaalsContact C-N 3.29Å; V117-D119 PolarHBondContact O-N 3.37Å; V117-V120 PolarHBondContact O-N 2.96Å; V117-I121 HydrophobicContact CG1-CD1 3.77Å; V117-I121 HydrophobicContact CG1-CG1 4.46Å; V117-I121 WeakPolarHBondContact O-CB 3.23Å; V117-I121 VanDerWaalsContact O-CG1 3.3Å; V117-I121 WeakPolarHBondContact O-CG1 3.37Å; V117-I121 PolarHBondContact O-N 3.24Å; V117-I235 HydrophobicContact CG1-CG2 3.73Å; V117-I239 HydrophobicContact CG1-CD1 4.31Å
118	E	91.5	Very high	91	Very high	90 Å²	90	89.5 Å²	89.5	42%	0.421	44%	0.442	S	S	.	.	H	α-helix	trans	-57.1	-41.6	172	-69.4	172.9	-156.7	0	0	111.3	R114 Q115 I121 A122	R114-E118 WeakPolarHBondContact CD-OE1 3.36Å; R114-E118 HydrophobicContact CG-CG 4.44Å; R114-E118 VanDerWaalsContact CG-OE1 3.22Å; R114-E118 WeakPolarHBondContact CG-OE1 3.45Å; R114-E118 PolarHBondContact O-N 3.3Å; Q115-E118 PolarHBondContact O-N 3.31Å; Q115-E118 VanDerWaalsContact O-N 3.12Å; E118-I121 PolarHBondContact O-N 3.43Å; E118-A122 VanDerWaalsContact O-CB 3.32Å; E118-A122 WeakPolarHBondContact O-CB 3.4Å; E118-A122 PolarHBondContact O-N 3.02Å
119	D	91.3	Very high	89.8	Confident	77 Å²	77	87.8 Å²	87.8	41%	0.412	44%	0.438	S	S	.	.	H	α-helix	trans	-62.7	-46	176.6	-68.6	-33	0	0	0	112	Q115 V117 A122 M123	Q115-D119 WeakPolarHBondContact O-CB 3.46Å; Q115-D119 PolarHBondContact O-N 2.74Å; V117-D119 VanDerWaalsContact C-N 3.29Å; V117-D119 PolarHBondContact O-N 3.37Å; D119-A122 PolarHBondContact O-N 2.83Å; D119-M123 WeakPolarHBondContact O-CG 3.36Å; D119-M123 PolarHBondContact O-N 3.4Å
120	V	90.2	Very high	88.3	Confident	80 Å²	80	89.9 Å²	89.9	49%	0.485	44%	0.442	S	S	.	.	H	α-helix	trans	-64.4	-45.4	178	167.9	0	0	0	0	110.8	A116 V117 A122 M123 D124	A116-V120 VanDerWaalsContact O-CG2 3.31Å; A116-V120 WeakPolarHBondContact O-CG2 3.26Å; V117-V120 PolarHBondContact O-N 2.96Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 3.22Å; V120-M123 PolarHBondContact O-N 3.32Å; V120-D124 PolarHBondContact O-N 3.48Å
121	I	90.4	Very high	86.5	Confident	40 Å²	40	93.3 Å²	93.3	21%	0.205	45%	0.453	C	S	.	.	H	α-helix	trans	-58.9	-45.4	175.6	-69.9	167.2	0	0	0	110.1	V117 E118 M123 D124 W125 L232 I235	V117-I121 HydrophobicContact CG1-CD1 3.77Å; V117-I121 HydrophobicContact CG1-CG1 4.46Å; V117-I121 WeakPolarHBondContact O-CB 3.23Å; V117-I121 VanDerWaalsContact O-CG1 3.3Å; V117-I121 WeakPolarHBondContact O-CG1 3.37Å; V117-I121 PolarHBondContact O-N 3.24Å; E118-I121 PolarHBondContact O-N 3.43Å; I121-M123 VanDerWaalsContact C-N 3.34Å; I121-M123 PolarHBondContact O-N 2.96Å; I121-D124 PolarHBondContact O-N 3.02Å; I121-W125 PolarHBondContact O-N 2.94Å; I121-L232 HydrophobicContact CD1-CD2 4.12Å; I121-I235 HydrophobicContact CD1-CD1 4.19Å
122	A	90.1	Very high	84.6	Confident	33 Å²	33	91.6 Å²	91.6	27%	0.273	45%	0.449	S	S	.	.	H	α-helix	trans	-62.5	-37.5	177.8	0	0	0	0	0	113.1	E118 D119 V120 Q126	E118-A122 VanDerWaalsContact O-CB 3.32Å; E118-A122 WeakPolarHBondContact O-CB 3.4Å; E118-A122 PolarHBondContact O-N 3.02Å; D119-A122 PolarHBondContact O-N 2.83Å; V120-A122 VanDerWaalsContact C-N 3.32Å; V120-A122 PolarHBondContact O-N 3.22Å; A122-Q126 WeakPolarHBondContact O-CG 3.47Å; A122-Q126 PolarHBondContact O-N 2.94Å
123	M	88.2	Confident	82.5	Confident	106 Å²	106	88 Å²	88	52%	0.522	44%	0.443	S	S	.	.	H	α-helix	trans	-65.9	-44.1	173.4	-72.1	179.6	65.6	0	0	112	D119 V120 I121 W125 Q126 H127	D119-M123 WeakPolarHBondContact O-CG 3.36Å; D119-M123 PolarHBondContact O-N 3.4Å; V120-M123 PolarHBondContact O-N 3.32Å; I121-M123 VanDerWaalsContact C-N 3.34Å; I121-M123 PolarHBondContact O-N 2.96Å; M123-W125 VanDerWaalsContact C-N 3.35Å; M123-W125 PolarHBondContact O-N 2.87Å; M123-Q126 WeakPolarHBondContact O-CB 3.45Å; M123-Q126 PolarHBondContact O-N 3.28Å; M123-Q126 VanDerWaalsContact O-N 3.13Å; M123-H127 PolarHBondContact O-CD2 3.44Å; M123-H127 VanDerWaalsContact O-CD2 3.24Å; M123-H127 PolarHBondContact O-N 2.97Å
124	D	85.7	Confident	80.4	Confident	102 Å²	102	89.8 Å²	89.8	55%	0.545	46%	0.456	S	S	.	.	H	α-helix	trans	-63.2	-40.1	177.8	-73.5	-21.7	0	0	0	111.6	V120 I121 Q126 H127 F128	V120-D124 PolarHBondContact O-N 3.48Å; I121-D124 PolarHBondContact O-N 3.02Å; D124-Q126 PolarHBondContact O-N 3.47Å; D124-H127 PolarHBondContact O-N 3.29Å; D124-F128 PolarHBondContact O-N 3.13Å
125	W	84.8	Confident	78.3	Confident	118 Å²	118	87.2 Å²	87.2	45%	0.447	45%	0.453	S	S	.	.	H	α-helix	trans	-60.5	-40.7	171	-78.3	115.7	0	0	0	113	I121 M123 F128 N129 I228	I121-W125 PolarHBondContact O-N 2.94Å; M123-W125 VanDerWaalsContact C-N 3.35Å; M123-W125 PolarHBondContact O-N 2.87Å; W125-F128 PolarHBondContact O-N 3.2Å; W125-N129 WeakPolarHBondContact O-CB 3.32Å; W125-N129 PolarHBondContact O-N 3.05Å; W125-N129 PolarHBondContact O-ND2 3.28Å; W125-I228 HydrophobicContact CH2-CD1 3.69Å; W125-I228 HydrophobicContact CH2-CG1 4.05Å; W125-I228 HydrophobicContact CH2-CG2 4.3Å; W125-I228 HydrophobicContact CZ2-CD1 4.39Å; W125-I228 HydrophobicContact CZ2-CG1 4.37Å; W125-I228 HydrophobicContact CZ2-CG2 3.89Å
126	Q	82.3	Confident	76.2	Confident	95 Å²	95	87.1 Å²	87.1	44%	0.444	46%	0.458	S	S	.	.	H	α-helix	trans	-66.3	-36.6	176.2	-75.6	175.6	-4.5	0	0	112	A122 M123 D124 Q130	A122-Q126 WeakPolarHBondContact O-CG 3.47Å; A122-Q126 PolarHBondContact O-N 2.94Å; M123-Q126 WeakPolarHBondContact O-CB 3.45Å; M123-Q126 PolarHBondContact O-N 3.28Å; M123-Q126 VanDerWaalsContact O-N 3.13Å; D124-Q126 PolarHBondContact O-N 3.47Å; Q126-Q130 PolarHBondContact O-N 2.96Å; Q126-Q130 PolarHBondContact O-NE2 3.34Å
127	H	80.8	Confident	74.3	Confident	97 Å²	97	90.7 Å²	90.7	45%	0.449	47%	0.47	S	S	.	.	H	α-helix	trans	-68.8	-42	174.4	-79.9	-65.9	0	0	0	112.3	M123 D124 N129 Q130 Q131	M123-H127 PolarHBondContact O-CD2 3.44Å; M123-H127 VanDerWaalsContact O-CD2 3.24Å; M123-H127 PolarHBondContact O-N 2.97Å; D124-H127 PolarHBondContact O-N 3.29Å; H127-N129 PolarHBondContact O-N 3.49Å; H127-Q130 PolarHBondContact O-N 2.89Å; H127-Q131 PolarHBondContact O-N 2.96Å
128	F	76.6	Confident	72.4	Confident	108 Å²	108	93.2 Å²	93.2	47%	0.474	48%	0.481	S	S	.	.	H	α-helix	trans	-61.6	-42.2	176	-170.3	-98.7	0	0	0	112.2	D124 W125 Q130 Q131 S132	D124-F128 PolarHBondContact O-N 3.13Å; W125-F128 PolarHBondContact O-N 3.2Å; F128-Q130 VanDerWaalsContact C-N 3.29Å; F128-Q130 PolarHBondContact O-N 3.04Å; F128-Q131 PolarHBondContact O-N 2.9Å; F128-S132 PolarHBondContact O-N 3.06Å
129	N	72.3	Confident	70.7	Confident	102 Å²	102	94.5 Å²	94.5	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-72.7	-15.6	177.2	-76.3	-35.9	0	0	0	114.6	W125 H127 S132	W125-N129 WeakPolarHBondContact O-CB 3.32Å; W125-N129 PolarHBondContact O-N 3.05Å; W125-N129 PolarHBondContact O-ND2 3.28Å; H127-N129 PolarHBondContact O-N 3.49Å; N129-S132 WeakPolarHBondContact CA-OG 3.22Å; N129-S132 PolarHBondContact O-OG 3.35Å; N129-S132 VanDerWaalsContact O-OG 3.13Å
130	Q	65.8	Low	68.9	Low	115 Å²	115	95.8 Å²	95.8	54%	0.537	49%	0.494	S	S	.	.	H	α-helix	trans	-81.1	-41.9	166.9	-79.6	163.2	89.5	0	0	110.9	Q126 H127 F128 S132 S133	Q126-Q130 PolarHBondContact O-N 2.96Å; Q126-Q130 PolarHBondContact O-NE2 3.34Å; H127-Q130 PolarHBondContact O-N 2.89Å; F128-Q130 VanDerWaalsContact C-N 3.29Å; F128-Q130 PolarHBondContact O-N 3.04Å; Q130-S132 PolarHBondContact O-N 3.25Å; Q130-S133 PolarHBondContact O-N 3.26Å; Q130-S133 PolarHBondContact O-OG 2.79Å
131	Q	59.7	Low	67.3	Low	106 Å²	106	96.1 Å²	96.1	50%	0.495	49%	0.492	S	S	.	.	H	α-helix	trans	-67.3	-23	177.4	-68.8	176.3	12.5	0	0	113.5	H127 F128 N135	H127-Q131 PolarHBondContact O-N 2.96Å; F128-Q131 PolarHBondContact O-N 2.9Å; Q131-N135 WeakPolarHBondContact O-CB 3.36Å; Q131-N135 PolarHBondContact O-N 2.83Å; Q131-N135 PolarHBondContact O-ND2 3.31Å
132	S	56.1	Low	65.8	Low	58 Å²	58	102.4 Å²	102.4	41%	0.406	51%	0.513	S	S	.	.	H	α-helix	trans	-74.4	-28.3	174.4	65.7	0	0	0	0	113.5	F128 N129 Q130 N135	F128-S132 PolarHBondContact O-N 3.06Å; N129-S132 WeakPolarHBondContact CA-OG 3.22Å; N129-S132 PolarHBondContact O-OG 3.35Å; N129-S132 VanDerWaalsContact O-OG 3.13Å; Q130-S132 PolarHBondContact O-N 3.25Å; S132-N135 PolarHBondContact O-N 3.49Å
133	S	53	Low	64.1	Low	78 Å²	78	105.4 Å²	105.4	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-76.1	-33.7	177.2	73.1	0	0	0	0	112.5	Q130 N135 V136	Q130-S133 PolarHBondContact O-N 3.26Å; Q130-S133 PolarHBondContact O-OG 2.79Å; S133-N135 VanDerWaalsContact C-N 3.3Å; S133-V136 WeakPolarHBondContact O-CG2 3.46Å; S133-V136 PolarHBondContact O-N 3.36Å
134	E	51.9	Low	62.8	Low	161 Å²	161	106.6 Å²	106.6	75%	0.752	53%	0.529	S	S	*	.	H	α-helix	trans	-71.3	-26.6	170.9	-63.5	-174.5	147.9	0	0	112	V136	E134-V136 VanDerWaalsContact C-N 3.3Å; E134-V136 PolarHBondContact O-N 2.84Å
135	N	50.9	Low	61.5	Low	76 Å²	76	107.2 Å²	107.2	41%	0.406	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-1.2	176.5	-92.5	-74.8	0	0	0	115.6	Q131 S132 S133 N137 L138 Q139	Q131-N135 WeakPolarHBondContact O-CB 3.36Å; Q131-N135 PolarHBondContact O-N 2.83Å; Q131-N135 PolarHBondContact O-ND2 3.31Å; S132-N135 PolarHBondContact O-N 3.49Å; S133-N135 VanDerWaalsContact C-N 3.3Å; N135-N137 PolarHBondContact O-N 3.35Å; N135-N137 VanDerWaalsContact O-N 3.07Å; N135-L138 PolarHBondContact O-N 3.19Å; N135-L138 WeakPolarHBondContact OD1-CD1 3.45Å; N135-Q139 PolarHBondContact O-N 3.27Å; N135-Q139 VanDerWaalsContact O-N 3.12Å
136	V	52.7	Low	59.9	Low	87 Å²	87	107.5 Å²	107.5	53%	0.527	54%	0.541	S	S	.	.	H	α-helix	trans	-54.9	-29.2	173.6	172.8	0	0	0	0	111.8	S133 E134 Q139 L140	S133-V136 WeakPolarHBondContact O-CG2 3.46Å; S133-V136 PolarHBondContact O-N 3.36Å; E134-V136 VanDerWaalsContact C-N 3.3Å; E134-V136 PolarHBondContact O-N 2.84Å; V136-Q139 PolarHBondContact O-N 2.93Å; V136-L140 PolarHBondContact O-N 3.2Å
137	N	54.3	Low	58.5	Low	127 Å²	127	107.4 Å²	107.4	68%	0.679	55%	0.551	S	S	*	*	H	α-helix	trans	-69.1	-35.5	175.6	-152.5	-14.4	0	0	0	113	N135 L141	N135-N137 PolarHBondContact O-N 3.35Å; N135-N137 VanDerWaalsContact O-N 3.07Å; N137-L141 PolarHBondContact O-N 3.5Å
138	L	52.4	Low	57.3	Low	102 Å²	102	111.6 Å²	111.6	53%	0.534	57%	0.567	S	S	.	*	H	α-helix	trans	-77.1	-24.9	173.8	-68.3	-162.9	0	0	0	113.1	N135 L141 R142	N135-L138 PolarHBondContact O-N 3.19Å; N135-L138 WeakPolarHBondContact OD1-CD1 3.45Å; L138-L141 HydrophobicContact CD2-CD2 3.98Å; L138-L141 PolarHBondContact O-N 3.42Å; L138-R142 PolarHBondContact O-N 3.03Å
139	Q	54.4	Low	55.7	Low	116 Å²	116	110.6 Å²	110.6	54%	0.542	57%	0.574	S	S	.	*	H	α-helix	trans	-63.6	-47.1	173.6	-154.6	72.4	11.1	0	0	110.5	N135 V136 L141 R142 D143	N135-Q139 PolarHBondContact O-N 3.27Å; N135-Q139 VanDerWaalsContact O-N 3.12Å; V136-Q139 PolarHBondContact O-N 2.93Å; Q139-L141 VanDerWaalsContact C-N 3.3Å; Q139-L141 PolarHBondContact O-N 2.85Å; Q139-R142 VanDerWaalsContact O-CB 3.29Å; Q139-R142 WeakPolarHBondContact O-CB 3.38Å; Q139-R142 PolarHBondContact O-N 3.3Å; Q139-R142 VanDerWaalsContact O-N 3.1Å; Q139-D143 PolarHBondContact O-N 3.43Å
140	L	55.2	Low	53.9	Low	105 Å²	105	110.7 Å²	110.7	55%	0.55	58%	0.583	S	S	.	*	H	α-helix	trans	-62.8	-34.2	173.9	-69.5	171.9	0	0	0	113	V136 R142 Q144	V136-L140 PolarHBondContact O-N 3.2Å; L140-R142 VanDerWaalsContact C-N 3.31Å; L140-Q144 WeakPolarHBondContact O-CG 3.48Å; L140-Q144 PolarHBondContact O-N 2.91Å
141	L	56.5	Low	53	Low	87 Å²	87	110.5 Å²	110.5	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-67.7	-32.4	174.7	-159.1	72.3	0	0	0	111.9	N137 L138 Q139 Q144 I145	N137-L141 PolarHBondContact O-N 3.5Å; L138-L141 HydrophobicContact CD2-CD2 3.98Å; L138-L141 PolarHBondContact O-N 3.42Å; Q139-L141 VanDerWaalsContact C-N 3.3Å; Q139-L141 PolarHBondContact O-N 2.85Å; L141-Q144 PolarHBondContact O-N 2.89Å; L141-I145 HydrophobicContact CG-CD1 4.48Å; L141-I145 WeakPolarHBondContact O-CD1 3.39Å; L141-I145 WeakPolarHBondContact O-CG1 3.24Å; L141-I145 PolarHBondContact O-N 3.44Å
142	R	58.5	Low	52.3	Low	171 Å²	171	114 Å²	114	65%	0.645	60%	0.599	S	S	*	*	H	α-helix	trans	-66.2	-42.4	178.6	-160.4	174.1	-158.2	135.1	7.7	112.2	L138 Q139 L140 Q144 I145 L146	L138-R142 PolarHBondContact O-N 3.03Å; Q139-R142 VanDerWaalsContact O-CB 3.29Å; Q139-R142 WeakPolarHBondContact O-CB 3.38Å; Q139-R142 PolarHBondContact O-N 3.3Å; Q139-R142 VanDerWaalsContact O-N 3.1Å; L140-R142 VanDerWaalsContact C-N 3.31Å; R142-Q144 VanDerWaalsContact C-N 3.32Å; R142-Q144 PolarHBondContact O-N 3.05Å; R142-I145 PolarHBondContact O-N 2.89Å; R142-I145 VanDerWaalsContact O-N 3.12Å; R142-L146 PolarHBondContact O-N 3.33Å
143	D	55.1	Low	51.5	Low	97 Å²	97	116.4 Å²	116.4	52%	0.519	62%	0.616	S	S	.	*	H	α-helix	trans	-69.7	-31	179.8	-62.2	-24.4	0	0	0	111.9	Q139 I145 S147	Q139-D143 PolarHBondContact O-N 3.43Å; D143-I145 VanDerWaalsContact C-N 3.29Å; D143-I145 PolarHBondContact O-N 3.03Å; D143-S147 PolarHBondContact O-N 2.92Å; D143-S147 PolarHBondContact O-OG 3.36Å
144	Q	60.7	Low	50.5	Low	131 Å²	131	118.5 Å²	118.5	61%	0.612	63%	0.626	S	S	*	*	H	α-helix	trans	-69.9	-22.7	171.2	-68.8	-176.8	24.9	0	0	113.8	L140 L141 R142 S147	L140-Q144 WeakPolarHBondContact O-CG 3.48Å; L140-Q144 PolarHBondContact O-N 2.91Å; L141-Q144 PolarHBondContact O-N 2.89Å; R142-Q144 VanDerWaalsContact C-N 3.32Å; R142-Q144 PolarHBondContact O-N 3.05Å; Q144-S147 PolarHBondContact O-OG 3.37Å
145	I	57.4	Low	50.2	Low	115 Å²	115	118.4 Å²	118.4	59%	0.59	63%	0.63	S	S	*	*	H	α-helix	trans	-85.6	-40.7	175.2	-67.8	164.5	0	0	0	110.5	L141 R142 D143 S147 K148	L141-I145 HydrophobicContact CG-CD1 4.48Å; L141-I145 WeakPolarHBondContact O-CD1 3.39Å; L141-I145 WeakPolarHBondContact O-CG1 3.24Å; L141-I145 PolarHBondContact O-N 3.44Å; R142-I145 PolarHBondContact O-N 2.89Å; R142-I145 VanDerWaalsContact O-N 3.12Å; D143-I145 VanDerWaalsContact C-N 3.29Å; D143-I145 PolarHBondContact O-N 3.03Å; I145-S147 PolarHBondContact O-N 2.72Å; I145-K148 PolarHBondContact O-N 3.12Å
146	L	51.7	Low	49.4	Very low	123 Å²	123	122.3 Å²	122.3	64%	0.644	65%	0.646	S	S	*	*	H	α-helix	trans	-69.7	-17.7	-174.9	-152.8	68.7	0	0	0	113.9	R142 K148	R142-L146 PolarHBondContact O-N 3.33Å; L146-K148 VanDerWaalsContact C-N 3.27Å; L146-K148 PolarHBondContact O-N 3.46Å
147	S	53	Low	48.5	Very low	94 Å²	94	123.8 Å²	123.8	66%	0.657	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-1.2	174.4	55	0	0	0	0	114.9	D143 Q144 I145	D143-S147 PolarHBondContact O-N 2.92Å; D143-S147 PolarHBondContact O-OG 3.36Å; Q144-S147 PolarHBondContact O-OG 3.37Å; I145-S147 PolarHBondContact O-N 2.72Å
148	K	55.4	Low	47.3	Very low	184 Å²	184	123.7 Å²	123.7	80%	0.8	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.1	1.9	-176.9	-69.4	-175.5	177.3	177.1	0	115.2	I145 L146	I145-K148 PolarHBondContact O-N 3.12Å; L146-K148 VanDerWaalsContact C-N 3.27Å; L146-K148 PolarHBondContact O-N 3.46Å
149	S	43.2	Very low	46.8	Very low	87 Å²	87	124.2 Å²	124.2	61%	0.608	67%	0.67	S	S	*	*			trans	-110	59.1	-176.4	58.8	0	0	0	0	113.4
150	S	35.3	Very low	45.7	Very low	105 Å²	105	126.2 Å²	126.2	73%	0.734	69%	0.685	S	S	*	*			trans	-83	108	152.1	-176.7	0	0	0	0	108.2
151	D	45.1	Very low	44.7	Very low	110 Å²	110	130.4 Å²	130.4	59%	0.588	70%	0.695	S	S	*	*				165.6	135.7	127.4	-96.9	31.4	0	0	0	111.8
152	K	45.3	Very low	43.4	Very low	180 Å²	180	132 Å²	132	78%	0.783	71%	0.713	S	S	*	*			trans	36.7	104.8	150.3	-53.9	-178.9	-170.1	86.7	0	118.3
153	S	40.1	Very low	42.3	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	71%	0.709	S	S	*	*				-174.7	139.7	86.9	-169.7	0	0	0	0	112.4
154	T	32.5	Very low	41.3	Very low	122 Å²	122	133.4 Å²	133.4	75%	0.748	72%	0.724	S	S	*	*			trans	-56.8	138.6	159.5	-47	0	0	0	0	110.2
155	N	44.4	Very low	40	Very low	159 Å²	159	135.6 Å²	135.6	85%	0.85	73%	0.728	S	S	*	*			trans	-150.2	134.9	148.4	-97.7	-43.6	0	0	0	108.9
156	Q	33.6	Very low	39	Very low	157 Å²	157	139.3 Å²	139.3	73%	0.734	74%	0.74	S	S	*	*			trans	-112.5	128.7	-169.9	176.4	-179.6	-10.9	0	0	109.3	D158	Q156-D158 WeakPolarHBondContact CG-OD2 3.15Å; Q156-D158 PolarHBondContact NE2-OD2 2.87Å
157	C	35.3	Very low	38.2	Very low	119 Å²	119	140.7 Å²	140.7	80%	0.804	75%	0.746	S	S	*	*			trans	-140.9	90.3	172.8	51.4	0	0	0	0	111.3	S159	C157-S159 PolarHBondContact O-N 3.24Å
158	D	28.9	Very low	37.4	Very low	124 Å²	124	145.4 Å²	145.4	66%	0.663	76%	0.755	S	S	*	*			trans	-69	120.4	172.2	-61.7	-80.8	0	0	0	110.9	Q156	Q156-D158 WeakPolarHBondContact CG-OD2 3.15Å; Q156-D158 PolarHBondContact NE2-OD2 2.87Å
159	S	41.7	Very low	36.5	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	74%	0.743	S	S	*	*			trans	-131.9	90	168.7	64.4	0	0	0	0	111.4	C157 Y161	C157-S159 PolarHBondContact O-N 3.24Å; S159-Y161 PolarHBondContact O-N 3.45Å
160	N	31.5	Very low	36.1	Very low	159 Å²	159	146.1 Å²	146.1	85%	0.85	76%	0.757	S	S	*	*			trans	-65.3	116.3	176.8	-70.4	-73	0	0	0	111.1
161	Y	33.8	Very low	36.2	Very low	193 Å²	193	147.3 Å²	147.3	76%	0.757	75%	0.745	S	S	*	*			trans	-134.3	73.4	167.8	-150	-111.4	0	0	0	111.8	S159 H163	S159-Y161 PolarHBondContact O-N 3.45Å; Y161-H163 AromaticContact CD1-CD2 3.72Å; Y161-H163 AromaticContact CE1-CD2 3.12Å; Y161-H163 WeakPolarHBondContact CE1-CD2 3.5Å; Y161-H163 AromaticContact CE1-NE2 3.43Å; Y161-H163 WeakPolarHBondContact CE1-NE2 3.04Å; Y161-H163 AromaticContact CZ-CD2 3.53Å; Y161-H163 AromaticContact CZ-NE2 3.45Å; Y161-H163 PolarHBondContact O-N 3.48Å; Y161-H163 PolarHBondContact OH-NE2 2.95Å; Y161-H163 VanDerWaalsContact OH-NE2 3.11Å
162	S	28.8	Very low	35.9	Very low	120 Å²	120	148.8 Å²	148.8	84%	0.839	76%	0.758	S	S	*	*			trans	-74.9	102	173.1	-176.4	0	0	0	0	110.1
163	H	36.6	Very low	35.1	Very low	118 Å²	118	149.9 Å²	149.9	55%	0.546	76%	0.758	S	S	.	*			trans	-97.1	112.1	167.1	-109	-104.5	0	0	0	110.6	Y161 Y165	Y161-H163 AromaticContact CD1-CD2 3.72Å; Y161-H163 AromaticContact CE1-CD2 3.12Å; Y161-H163 WeakPolarHBondContact CE1-CD2 3.5Å; Y161-H163 AromaticContact CE1-NE2 3.43Å; Y161-H163 WeakPolarHBondContact CE1-NE2 3.04Å; Y161-H163 AromaticContact CZ-CD2 3.53Å; Y161-H163 AromaticContact CZ-NE2 3.45Å; Y161-H163 PolarHBondContact O-N 3.48Å; Y161-H163 PolarHBondContact OH-NE2 2.95Å; Y161-H163 VanDerWaalsContact OH-NE2 3.11Å; H163-Y165 PolarHBondContact O-N 3.4Å
164	Q	32.9	Very low	35.8	Very low	180 Å²	180	147.9 Å²	147.9	84%	0.841	74%	0.738	S	S	*	*			trans	-83.9	92.8	-176.9	-170.7	176	31.1	0	0	109.7	K166	Q164-K166 PolarHBondContact O-N 2.99Å
165	Y	33.2	Very low	36.9	Very low	176 Å²	176	151.6 Å²	151.6	69%	0.69	75%	0.747	S	S	*	*			trans	-59.6	103.6	176.1	-71.8	-72.9	0	0	0	111.1	H163 I167	H163-Y165 PolarHBondContact O-N 3.4Å; Y165-I167 PolarHBondContact O-N 3.06Å
166	K	37.1	Very low	37.5	Very low	194 Å²	194	150.5 Å²	150.5	84%	0.843	74%	0.741	S	S	*	*			trans	-86.5	100.4	-178.5	-161.7	170.6	-172.5	172.8	0	109.4	Q164 K168	Q164-K166 PolarHBondContact O-N 2.99Å; K166-K168 PolarHBondContact O-N 2.97Å
167	I	34.1	Very low	38	Very low	151 Å²	151	145.5 Å²	145.5	77%	0.774	73%	0.732	S	S	*	*			trans	-51.6	125.9	177.4	-59.7	174.9	0	0	0	109.2	Y165 E169	Y165-I167 PolarHBondContact O-N 3.06Å; I167-E169 PolarHBondContact O-N 3.34Å
168	K	37.8	Very low	38.7	Very low	193 Å²	193	146.7 Å²	146.7	84%	0.839	73%	0.726	S	S	*	*			trans	-81.3	94.6	174.1	-77.4	-179.5	176.9	173.1	0	109	K166 D170	K166-K168 PolarHBondContact O-N 2.97Å; K168-D170 PolarHBondContact O-N 3.21Å
169	E	35.2	Very low	39.2	Very low	118 Å²	118	149.3 Å²	149.3	55%	0.551	73%	0.728	S	S	*	*			trans	-62.3	128.2	167.8	-56.1	160	145.1	0	0	110	I167 R171	I167-E169 PolarHBondContact O-N 3.34Å; E169-R171 PolarHBondContact O-N 3.05Å; E169-R171 IonicContact OE2-CZ 3.48Å; E169-R171 VanDerWaalsContact OE2-CZ 3.24Å; E169-R171 IonicContact OE2-NH1 3.9Å; E169-R171 PolarHBondContact OE2-NH1 3.39Å; E169-R171 IonicContact OE2-NH2 3.69Å; E169-R171 PolarHBondContact OE2-NH2 3.37Å
170	D	35.4	Very low	39.2	Very low	168 Å²	168	151.5 Å²	151.5	90%	0.898	73%	0.725	S	S	*	*			trans	-64.6	122.9	171.5	-76.1	-48.4	0	0	0	110.4	K168	K168-D170 PolarHBondContact O-N 3.21Å
171	R	37.7	Very low	39.7	Very low	131 Å²	131	148.9 Å²	148.9	49%	0.494	72%	0.72	S	S	.	*			trans	-122.9	113.1	176.2	-92.4	-176.9	-81.7	-91.6	-17.4	111.1	E169	E169-R171 PolarHBondContact O-N 3.05Å; E169-R171 IonicContact OE2-CZ 3.48Å; E169-R171 VanDerWaalsContact OE2-CZ 3.24Å; E169-R171 IonicContact OE2-NH1 3.9Å; E169-R171 PolarHBondContact OE2-NH1 3.39Å; E169-R171 IonicContact OE2-NH2 3.69Å; E169-R171 PolarHBondContact OE2-NH2 3.37Å
172	T	38	Very low	40.2	Very low	141 Å²	141	146.9 Å²	146.9	87%	0.865	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-79.4	138.3	170.7	49.1	0	0	0	0	111.1
173	W	29.5	Very low	40.6	Very low	203 Å²	203	146.7 Å²	146.7	77%	0.769	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-70.5	132.9	173	-92.8	62.3	0	0	0	111.9
174	N	53	Low	40.5	Very low	67 Å²	67	148.9 Å²	148.9	36%	0.358	73%	0.731	S	S	.	*	P	Polyproline II helix	trans	-86.7	166.4	161.9	65	43.7	0	0	0	110.4	N176 G177 Q178	N174-N176 PolarHBondContact O-N 2.86Å; N174-N176 PolarHBondContact OD1-N 3Å; N174-G177 PolarHBondContact OD1-N 3.03Å; N174-G177 VanDerWaalsContact OD1-N 3.16Å; N174-Q178 PolarHBondContact ND2-O 3.17Å
175	Q	56.1	Low	40.5	Very low	200 Å²	200	145.6 Å²	145.6	94%	0.935	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-0.3	-178.4	-64.7	-179.4	-3.7	0	0	113.6
176	N	57	Low	40.6	Very low	135 Å²	135	141.9 Å²	141.9	72%	0.722	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.4	-3.2	-166.1	-59.5	7.8	0	0	0	113	N174 Q178	N174-N176 PolarHBondContact O-N 2.86Å; N174-N176 PolarHBondContact OD1-N 3Å; N176-Q178 PolarHBondContact O-N 2.79Å
177	G	43.7	Very low	40.3	Very low	53 Å²	53	141.4 Å²	141.4	55%	0.546	73%	0.728	S	S	.	*			trans	73.2	21.3	171.5	0	0	0	0	0	115.7	N174	N174-G177 PolarHBondContact OD1-N 3.03Å; N174-G177 VanDerWaalsContact OD1-N 3.16Å
178	Q	50.3	Low	40.4	Very low	144 Å²	144	143 Å²	143	67%	0.673	73%	0.732	S	S	*	*			trans	-121.4	136.3	179.7	-68.5	-176.5	-24.9	0	0	111.6	N174 N176	N174-Q178 PolarHBondContact ND2-O 3.17Å; N176-Q178 PolarHBondContact O-N 2.79Å
179	Y	40.3	Very low	39.8	Very low	178 Å²	178	140.8 Å²	140.8	70%	0.698	74%	0.735	S	S	*	*			trans	-87.1	117.7	175.3	-71.3	-85	0	0	0	110.4
180	E	42.3	Very low	39.8	Very low	159 Å²	159	141.4 Å²	141.4	74%	0.743	75%	0.747	S	S	*	*			trans	-112	154.2	166.7	-69.6	-173.3	121.6	0	0	110.8
181	S	41.3	Very low	39.5	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-102.7	126.8	178.5	-59.8	0	0	0	0	110
182	I	43.8	Very low	39.4	Very low	150 Å²	150	141.5 Å²	141.5	77%	0.769	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-85.8	123.1	176	-56.7	177.8	0	0	0	109	I184	I182-I184 PolarHBondContact O-N 3.48Å
183	P	37.4	Very low	39.1	Very low	117 Å²	117	140.4 Å²	140.4	76%	0.76	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-76.5	117.4	174.1	29.9	-32	0	0	0	110.7	S185	P183-S185 PolarHBondContact O-N 3.02Å
184	I	34.7	Very low	39.4	Very low	164 Å²	164	137.4 Å²	137.4	84%	0.841	76%	0.759	S	S	*	*			trans	-84.9	97.6	171.9	-57	177.1	0	0	0	108.4	I182	I182-I184 PolarHBondContact O-N 3.48Å
185	S	33.4	Very low	38.3	Very low	111 Å²	111	142.2 Å²	142.2	78%	0.776	78%	0.779	S	S	*	*			trans	-78.8	118.7	172.1	57.3	0	0	0	0	110.8	P183	P183-S185 PolarHBondContact O-N 3.02Å
186	S	34.4	Very low	37.1	Very low	98 Å²	98	139.7 Å²	139.7	69%	0.685	78%	0.778	S	S	*	*			trans	-64.7	140.2	171	52.7	0	0	0	0	112.1
187	E	31.5	Very low	36	Very low	183 Å²	183	137.5 Å²	137.5	86%	0.855	77%	0.773	S	S	*	*			trans	39.3	102.2	150.3	-60.1	-177	167.9	0	0	117.8
188	Q	35.3	Very low	35.5	Very low	186 Å²	186	143.7 Å²	143.7	87%	0.869	79%	0.788	S	S	*	*			trans	-147.4	106.8	152.3	-129.4	140.6	105.2	0	0	111.9	T190	Q188-T190 PolarHBondContact O-N 3.17Å
189	T	26	Very low	34.7	Very low	145 Å²	145	145 Å²	145	89%	0.89	80%	0.797	S	S	*	*			trans	-79.3	105.4	169.8	46.7	0	0	0	0	110.4
190	T	33.9	Very low	34.3	Very low	131 Å²	131	145.3 Å²	145.3	80%	0.804	81%	0.805	S	S	*	*			trans	-135.7	126.1	156.9	39.3	0	0	0	0	110.3	Q188	Q188-T190 PolarHBondContact O-N 3.17Å
191	T	30.1	Very low	34.1	Very low	133 Å²	133	142.2 Å²	142.2	82%	0.816	80%	0.799	S	S	*	*			trans	-72.5	139	165.2	47.8	0	0	0	0	109.8
192	D	35.3	Very low	33.6	Very low	168 Å²	168	144.5 Å²	144.5	90%	0.898	80%	0.803	S	S	*	*			trans	-151.9	157.7	149.7	-121.4	-36.7	0	0	0	112.8
193	V	31.8	Very low	33	Very low	119 Å²	119	145.6 Å²	145.6	72%	0.721	81%	0.809	S	S	*	*			trans	-118.7	114.4	-158.1	178.4	0	0	0	0	112.7
194	V	35	Very low	32.8	Very low	140 Å²	140	146 Å²	146	85%	0.848	81%	0.81	S	S	*	*			trans	-133.3	79.2	161.7	-169	0	0	0	0	112.1	T196	V194-T196 PolarHBondContact O-N 3.14Å
195	Q	30.2	Very low	32.4	Very low	168 Å²	168	143 Å²	143	79%	0.785	80%	0.804	S	S	*	*			trans	-10.3	111.8	145.3	-177.5	178.2	4.2	0	0	117.1
196	T	32.2	Very low	32.2	Very low	146 Å²	146	144.2 Å²	144.2	90%	0.896	80%	0.8	S	S	*	*			trans	-136.1	133.4	143.7	28.8	0	0	0	0	108.9	V194	V194-T196 PolarHBondContact O-N 3.14Å
197	S	32.6	Very low	32	Very low	90 Å²	90	146.3 Å²	146.3	63%	0.629	80%	0.803	S	S	*	*			trans	-113	140.5	-168.9	51.8	0	0	0	0	112.2
198	Q	33.2	Very low	31.9	Very low	182 Å²	182	147.6 Å²	147.6	85%	0.85	80%	0.802	S	S	*	*				178.4	161.5	124.9	-96.9	158.2	69.9	0	0	112.8
199	I	34.4	Very low	31.6	Very low	171 Å²	171	144 Å²	144	88%	0.877	80%	0.798	S	S	*	*			trans	75.2	116.2	178.5	-48.2	-178.8	0	0	0	114.1
200	H	31.5	Very low	31.8	Very low	185 Å²	185	142.9 Å²	142.9	86%	0.856	80%	0.795	S	S	*	*			trans	-106.3	175.7	-172.3	-130	-134.6	0	0	0	110.1
201	P	37.3	Very low	31.7	Very low	94 Å²	94	142.3 Å²	142.3	61%	0.61	79%	0.792	S	S	*	*			trans	-125.8	-174.5	-136	40.2	-22.4	0	0	0	114.1
202	N	32.5	Very low	31.7	Very low	154 Å²	154	143.8 Å²	143.8	82%	0.824	80%	0.795	S	S	*	*			trans	-171.7	118.9	137	-103.2	-29.5	0	0	0	111.7
203	L	31.3	Very low	31.4	Very low	172 Å²	172	141.6 Å²	141.6	90%	0.901	78%	0.782	S	S	*	*			trans	-170	132.8	136.9	-105.3	162.4	0	0	0	109
204	T	32.1	Very low	31.3	Very low	126 Å²	126	141.6 Å²	141.6	77%	0.773	78%	0.784	S	S	*	*			trans	-81.4	128.7	-161.1	-32.6	0	0	0	0	112.8	I206	T204-I206 PolarHBondContact O-N 2.97Å
205	S	26.7	Very low	31.1	Very low	102 Å²	102	144.4 Å²	144.4	71%	0.713	78%	0.781	S	S	*	*			trans	-69	123.8	170.1	-51.3	0	0	0	0	111
206	I	29.4	Very low	31.2	Very low	136 Å²	136	144.3 Å²	144.3	70%	0.697	79%	0.786	S	S	*	*			trans	-101.1	104.5	165.9	-58.6	179.4	0	0	0	107.7	T204 Y208	T204-I206 PolarHBondContact O-N 2.97Å; I206-Y208 HydrophobicContact CG2-CD2 3.98Å; I206-Y208 HydrophobicContact CG2-CE2 3.57Å
207	N	30.7	Very low	31.2	Very low	141 Å²	141	146.5 Å²	146.5	75%	0.754	78%	0.783	S	S	*	*			trans	-78.3	124.8	174.7	-68.2	-23.6	0	0	0	109.9
208	Y	29.6	Very low	31.3	Very low	210 Å²	210	150.7 Å²	150.7	82%	0.824	79%	0.793	S	S	*	*			trans	-109.7	114.5	160.9	-81.5	-78.1	0	0	0	109.3	I206 S210	I206-Y208 HydrophobicContact CG2-CD2 3.98Å; I206-Y208 HydrophobicContact CG2-CE2 3.57Å; Y208-S210 PolarHBondContact O-N 3.25Å
209	S	28.3	Very low	31.3	Very low	112 Å²	112	150.2 Å²	150.2	78%	0.783	79%	0.79	S	S	*	*			trans	-78.7	102.2	-178.8	-58.1	0	0	0	0	110.9	T211	S209-T211 PolarHBondContact O-N 3.09Å; S209-T211 VanDerWaalsContact O-N 3.13Å
210	S	30.5	Very low	31.3	Very low	120 Å²	120	146.7 Å²	146.7	84%	0.839	78%	0.779	S	S	*	*			trans	-67.5	107.5	169.4	-64.6	0	0	0	0	110.4	Y208 N212	Y208-S210 PolarHBondContact O-N 3.25Å; S210-N212 PolarHBondContact O-N 3.2Å
211	T	31.9	Very low	31.5	Very low	119 Å²	119	144 Å²	144	73%	0.73	77%	0.77	S	S	*	*			trans	-70.5	124.2	175.1	48.3	0	0	0	0	111.1	S209 I213	S209-T211 PolarHBondContact O-N 3.09Å; S209-T211 VanDerWaalsContact O-N 3.13Å; T211-I213 PolarHBondContact O-N 3.43Å
212	N	28.8	Very low	31.7	Very low	165 Å²	165	144.6 Å²	144.6	88%	0.882	77%	0.768	S	S	*	*			trans	-62.4	123.6	172.7	-75.1	-35.5	0	0	0	111.1	S210	S210-N212 PolarHBondContact O-N 3.2Å
213	I	30.4	Very low	32.3	Very low	122 Å²	122	143.4 Å²	143.4	63%	0.626	76%	0.762	S	S	*	*			trans	-120.9	114	165.4	-59.2	-179.8	0	0	0	107.7	T211 Y215	T211-I213 PolarHBondContact O-N 3.43Å; I213-Y215 HydrophobicContact CG2-CD2 3.95Å; I213-Y215 HydrophobicContact CG2-CE2 3.76Å; I213-Y215 PolarHBondContact O-N 2.63Å
214	P	29.3	Very low	32.7	Very low	118 Å²	118	142.8 Å²	142.8	77%	0.766	75%	0.749	S	S	*	*			trans	-80.1	100.5	-177.2	31	-33.2	0	0	0	111.2
215	Y	30.5	Very low	33.1	Very low	200 Å²	200	139.4 Å²	139.4	78%	0.784	73%	0.731	S	S	*	*			trans	-85.2	113	168.8	-91	-86.9	0	0	0	110.9	I213 F217	I213-Y215 HydrophobicContact CG2-CD2 3.95Å; I213-Y215 HydrophobicContact CG2-CE2 3.76Å; I213-Y215 PolarHBondContact O-N 2.63Å; Y215-F217 PolarHBondContact O-N 3.01Å; Y215-F217 VanDerWaalsContact O-N 3.16Å
216	N	31.4	Very low	34.1	Very low	166 Å²	166	138.8 Å²	138.8	89%	0.888	72%	0.719	S	S	*	*			trans	-67.1	107.6	169.7	-83.9	-60.6	0	0	0	110
217	F	32.7	Very low	34.9	Very low	192 Å²	192	134.9 Å²	134.9	84%	0.842	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-85.9	117.9	168.9	-122	-88.3	0	0	0	109.9	Y215 Q219	Y215-F217 PolarHBondContact O-N 3.01Å; Y215-F217 VanDerWaalsContact O-N 3.16Å; F217-Q219 PolarHBondContact O-N 3.47Å
218	H	35.5	Very low	35.9	Very low	178 Å²	178	130.7 Å²	130.7	82%	0.824	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-62.2	130.5	168.4	-112	-83.3	0	0	0	109.2	P220	H218-P220 WeakPolarHBondContact O-CD 3.41Å
219	Q	32.6	Very low	36.9	Very low	171 Å²	171	125.7 Å²	125.7	80%	0.799	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-62	122.5	179.1	-72.5	179.1	-18.3	0	0	110.8	F217	F217-Q219 PolarHBondContact O-N 3.47Å
220	P	34.5	Very low	38.4	Very low	98 Å²	98	122.9 Å²	122.9	64%	0.636	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-71.3	148.1	168.3	30.9	-33.1	0	0	0	109.9	H218 N222	H218-P220 WeakPolarHBondContact O-CD 3.41Å; P220-N222 PolarHBondContact O-N 3.45Å
221	N	35.5	Very low	39.8	Very low	127 Å²	127	121 Å²	121	68%	0.679	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-62.3	120.7	-170.9	-167.3	-15.9	0	0	0	112.1	N223 Y224	N221-N223 PolarHBondContact O-N 3.11Å; N221-Y224 PolarHBondContact O-N 3.35Å
222	N	42.2	Very low	41.2	Very low	107 Å²	107	118.5 Å²	118.5	57%	0.572	61%	0.614	S	S	*	*	H	α-helix	trans	-48.6	-32.3	-165.7	-64.5	-9.3	0	0	0	115.1	P220 Y224 S225 N226	P220-N222 PolarHBondContact O-N 3.45Å; N222-Y224 PolarHBondContact O-N 2.92Å; N222-S225 PolarHBondContact O-N 3.09Å; N222-N226 PolarHBondContact O-N 3.02Å
223	N	45.4	Very low	42.8	Very low	129 Å²	129	115.3 Å²	115.3	69%	0.69	60%	0.597	S	S	*	*	H	α-helix	trans	-63.5	-25.5	-179	-67.8	-7.3	0	0	0	113.8	N221	N221-N223 PolarHBondContact O-N 3.11Å
224	Y	38.1	Very low	44.4	Very low	159 Å²	159	114.2 Å²	114.2	62%	0.624	59%	0.593	S	S	*	*	H	α-helix	trans	-78.5	-41.6	177.2	-111.6	-93.8	0	0	0	112.3	N221 N222 N226 A227 I228	N221-Y224 PolarHBondContact O-N 3.35Å; N222-Y224 PolarHBondContact O-N 2.92Å; Y224-N226 VanDerWaalsContact C-N 3.32Å; Y224-N226 PolarHBondContact O-N 2.72Å; Y224-A227 PolarHBondContact O-N 2.9Å; Y224-A227 VanDerWaalsContact O-N 3.16Å; Y224-I228 HydrophobicContact CD1-CD1 4.48Å; Y224-I228 WeakPolarHBondContact O-CD1 3.3Å; Y224-I228 WeakPolarHBondContact O-CG1 3.31Å; Y224-I228 PolarHBondContact O-N 3.04Å; Y224-I228 VanDerWaalsContact O-N 3.15Å
225	S	41.2	Very low	45.9	Very low	56 Å²	56	111.1 Å²	111.1	39%	0.392	57%	0.569	S	S	.	*	H	α-helix	trans	-59.7	-43.6	-178.3	-151.9	0	0	0	0	111.4	N222 A227 I228 E229	N222-S225 PolarHBondContact O-N 3.09Å; S225-A227 VanDerWaalsContact C-N 3.3Å; S225-A227 PolarHBondContact O-N 3.38Å; S225-I228 WeakPolarHBondContact O-CB 3.27Å; S225-I228 PolarHBondContact O-N 3.04Å; S225-E229 PolarHBondContact O-N 3.14Å
226	N	47.4	Very low	47.4	Very low	89 Å²	89	106 Å²	106	48%	0.476	55%	0.552	S	S	.	*	H	α-helix	trans	-60.7	-36.1	178.4	-61.4	-8.8	0	0	0	112.9	N222 Y224 S230	N222-N226 PolarHBondContact O-N 3.02Å; Y224-N226 VanDerWaalsContact C-N 3.32Å; Y224-N226 PolarHBondContact O-N 2.72Å; N226-S230 WeakPolarHBondContact O-CB 3.18Å; N226-S230 PolarHBondContact O-N 3.41Å
227	A	47.4	Very low	48.8	Very low	54 Å²	54	102.6 Å²	102.6	45%	0.446	53%	0.531	S	S	.	.	H	α-helix	trans	-72	-37.9	177.8	0	0	0	0	0	112	Y224 S225 T231	Y224-A227 PolarHBondContact O-N 2.9Å; Y224-A227 VanDerWaalsContact O-N 3.16Å; S225-A227 VanDerWaalsContact C-N 3.3Å; S225-A227 PolarHBondContact O-N 3.38Å; A227-T231 WeakPolarHBondContact O-CB 3.2Å; A227-T231 PolarHBondContact O-N 2.75Å; A227-T231 PolarHBondContact O-OG1 3.19Å
228	I	50.6	Low	50.1	Low	52 Å²	52	97.3 Å²	97.3	27%	0.267	51%	0.514	S	S	.	.	H	α-helix	trans	-64.7	-47.1	174.5	-65.1	152.7	0	0	0	110.1	W125 Y224 S225 T231 L232	W125-I228 HydrophobicContact CH2-CD1 3.69Å; W125-I228 HydrophobicContact CH2-CG1 4.05Å; W125-I228 HydrophobicContact CH2-CG2 4.3Å; W125-I228 HydrophobicContact CZ2-CD1 4.39Å; W125-I228 HydrophobicContact CZ2-CG1 4.37Å; W125-I228 HydrophobicContact CZ2-CG2 3.89Å; Y224-I228 HydrophobicContact CD1-CD1 4.48Å; Y224-I228 WeakPolarHBondContact O-CD1 3.3Å; Y224-I228 WeakPolarHBondContact O-CG1 3.31Å; Y224-I228 PolarHBondContact O-N 3.04Å; Y224-I228 VanDerWaalsContact O-N 3.15Å; S225-I228 WeakPolarHBondContact O-CB 3.27Å; S225-I228 PolarHBondContact O-N 3.04Å; I228-T231 PolarHBondContact O-N 2.97Å; I228-L232 HydrophobicContact CG2-CD1 4Å; I228-L232 WeakPolarHBondContact O-CB 3.43Å; I228-L232 WeakPolarHBondContact O-CG 3.38Å; I228-L232 PolarHBondContact O-N 2.88Å
229	E	52.1	Low	51	Low	105 Å²	105	90.4 Å²	90.4	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-65.2	-39.6	177.7	-72.2	-173.9	152	0	0	112.6	S225 L232 N233	S225-E229 PolarHBondContact O-N 3.14Å; E229-L232 PolarHBondContact O-N 3.29Å; E229-N233 WeakPolarHBondContact O-CB 3.47Å; E229-N233 PolarHBondContact O-N 2.93Å; E229-N233 PolarHBondContact O-ND2 2.86Å
230	S	58.1	Low	52.2	Low	54 Å²	54	86 Å²	86	38%	0.378	47%	0.465	S	S	.	.	H	α-helix	trans	-59.5	-48.7	172.7	-168.4	0	0	0	0	111	N226 L232 N233 D234	N226-S230 WeakPolarHBondContact O-CB 3.18Å; N226-S230 PolarHBondContact O-N 3.41Å; S230-L232 VanDerWaalsContact C-N 3.34Å; S230-L232 PolarHBondContact O-N 2.91Å; S230-N233 PolarHBondContact O-N 3.1Å; S230-N233 VanDerWaalsContact O-N 3.16Å; S230-D234 PolarHBondContact O-N 2.76Å
231	T	60.7	Low	53.1	Low	81 Å²	81	85.8 Å²	85.8	50%	0.497	46%	0.458	S	S	.	.	H	α-helix	trans	-62.5	-40.3	-179.4	-52.5	0	0	0	0	111.8	A227 I228 I235	A227-T231 WeakPolarHBondContact O-CB 3.2Å; A227-T231 PolarHBondContact O-N 2.75Å; A227-T231 PolarHBondContact O-OG1 3.19Å; I228-T231 PolarHBondContact O-N 2.97Å; T231-I235 HydrophobicContact CG2-CD1 4.08Å; T231-I235 WeakPolarHBondContact O-CB 3.39Å; T231-I235 WeakPolarHBondContact O-CD1 3.48Å; T231-I235 VanDerWaalsContact O-CG1 3.23Å; T231-I235 WeakPolarHBondContact O-CG1 3.31Å; T231-I235 PolarHBondContact O-N 2.83Å
232	L	60.6	Low	53.6	Low	66 Å²	66	83.9 Å²	83.9	35%	0.346	45%	0.447	S	S	.	.	H	α-helix	trans	-65	-42.5	174.1	-74.8	169.9	0	0	0	112	I121 I228 E229 S230 I235 H236	I121-L232 HydrophobicContact CD1-CD2 4.12Å; I228-L232 HydrophobicContact CG2-CD1 4Å; I228-L232 WeakPolarHBondContact O-CB 3.43Å; I228-L232 WeakPolarHBondContact O-CG 3.38Å; I228-L232 PolarHBondContact O-N 2.88Å; E229-L232 PolarHBondContact O-N 3.29Å; S230-L232 VanDerWaalsContact C-N 3.34Å; S230-L232 PolarHBondContact O-N 2.91Å; L232-I235 PolarHBondContact O-N 2.81Å; L232-H236 WeakPolarHBondContact O-CB 3.47Å; L232-H236 PolarHBondContact O-CD2 3.06Å; L232-H236 PolarHBondContact O-N 3.18Å
233	N	62.8	Low	54	Low	98 Å²	98	81.7 Å²	81.7	52%	0.524	44%	0.438	S	S	.	.	H	α-helix	trans	-64.1	-41.5	177.1	-79.6	-57.4	0	0	0	112.4	E229 S230 H236 Q237	E229-N233 WeakPolarHBondContact O-CB 3.47Å; E229-N233 PolarHBondContact O-N 2.93Å; E229-N233 PolarHBondContact O-ND2 2.86Å; S230-N233 PolarHBondContact O-N 3.1Å; S230-N233 VanDerWaalsContact O-N 3.16Å; N233-H236 PolarHBondContact O-N 2.76Å; N233-Q237 PolarHBondContact O-N 2.94Å
234	D	64.4	Low	53.9	Low	98 Å²	98	81.2 Å²	81.2	52%	0.524	44%	0.435	S	S	.	.	H	α-helix	trans	-62.1	-42.5	173.9	-72.6	-42.1	0	0	0	111.5	S230 Q237 V238	S230-D234 PolarHBondContact O-N 2.76Å; D234-Q237 PolarHBondContact O-N 3.19Å; D234-V238 WeakPolarHBondContact O-CG2 3.22Å; D234-V238 PolarHBondContact O-N 3.17Å
235	I	61.2	Low	54	Low	53 Å²	53	81.3 Å²	81.3	27%	0.272	45%	0.447	S	S	.	.	H	α-helix	trans	-62.8	-43.2	173.9	-71.5	167.1	0	0	0	111	V117 I121 T231 L232 Q237 V238 I239	V117-I235 HydrophobicContact CG1-CG2 3.73Å; I121-I235 HydrophobicContact CD1-CD1 4.19Å; T231-I235 HydrophobicContact CG2-CD1 4.08Å; T231-I235 WeakPolarHBondContact O-CB 3.39Å; T231-I235 WeakPolarHBondContact O-CD1 3.48Å; T231-I235 VanDerWaalsContact O-CG1 3.23Å; T231-I235 WeakPolarHBondContact O-CG1 3.31Å; T231-I235 PolarHBondContact O-N 2.83Å; L232-I235 PolarHBondContact O-N 2.81Å; I235-Q237 PolarHBondContact O-N 3.17Å; I235-V238 PolarHBondContact O-N 3.12Å; I235-I239 HydrophobicContact CG2-CD1 3.85Å; I235-I239 HydrophobicContact CG2-CG1 4.46Å; I235-I239 WeakPolarHBondContact O-CB 3.46Å; I235-I239 VanDerWaalsContact O-CG1 3.27Å; I235-I239 WeakPolarHBondContact O-CG1 3.33Å; I235-I239 PolarHBondContact O-N 2.76Å
236	H	60.9	Low	53.9	Low	94 Å²	94	81.2 Å²	81.2	44%	0.435	45%	0.454	S	S	.	.	H	α-helix	trans	-62.6	-40.2	175.9	-87.1	-70.9	0	0	0	112.5	L232 N233 I239 N240	L232-H236 WeakPolarHBondContact O-CB 3.47Å; L232-H236 PolarHBondContact O-CD2 3.06Å; L232-H236 PolarHBondContact O-N 3.18Å; N233-H236 PolarHBondContact O-N 2.76Å; H236-I239 PolarHBondContact O-N 2.78Å; H236-N240 VanDerWaalsContact O-CG 3.25Å; H236-N240 PolarHBondContact O-N 3.35Å; H236-N240 PolarHBondContact O-ND2 3.32Å
237	Q	61.4	Low	53.5	Low	93 Å²	93	82.2 Å²	82.2	44%	0.435	46%	0.46	S	S	.	.	H	α-helix	trans	-64.6	-45.7	175	-177.3	55	46.8	0	0	111.3	N233 D234 I235 I239 N240 D241	N233-Q237 PolarHBondContact O-N 2.94Å; D234-Q237 PolarHBondContact O-N 3.19Å; I235-Q237 PolarHBondContact O-N 3.17Å; Q237-I239 VanDerWaalsContact C-N 3.31Å; Q237-I239 PolarHBondContact O-N 2.9Å; Q237-N240 WeakPolarHBondContact O-CB 3.48Å; Q237-N240 PolarHBondContact O-N 3.22Å; Q237-N240 VanDerWaalsContact O-N 3.17Å; Q237-D241 VanDerWaalsContact NE2-CG 3.34Å; Q237-D241 PolarHBondContact NE2-OD1 2.9Å; Q237-D241 PolarHBondContact NE2-OD2 2.95Å; Q237-D241 VanDerWaalsContact NE2-OD2 3.14Å; Q237-D241 PolarHBondContact O-N 3.4Å
238	V	59.4	Low	53	Low	81 Å²	81	86.2 Å²	86.2	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-62.2	-36.3	175.4	169.6	0	0	0	0	112.1	D234 I235 I242	D234-V238 WeakPolarHBondContact O-CG2 3.22Å; D234-V238 PolarHBondContact O-N 3.17Å; I235-V238 PolarHBondContact O-N 3.12Å; V238-I242 HydrophobicContact CG1-CD1 3.65Å; V238-I242 HydrophobicContact CG1-CG1 4.46Å; V238-I242 WeakPolarHBondContact O-CB 3.24Å; V238-I242 WeakPolarHBondContact O-CD1 3.45Å; V238-I242 WeakPolarHBondContact O-CG1 3.28Å; V238-I242 PolarHBondContact O-N 3.42Å
239	I	54.5	Low	52.4	Low	34 Å²	34	89.8 Å²	89.8	17%	0.174	49%	0.489	C	S	.	.	H	α-helix	trans	-61.7	-47.8	173.1	-74.4	165.7	0	0	0	110.7	V117 I235 H236 Q237 D241 I242 T243	V117-I239 HydrophobicContact CG1-CD1 4.31Å; I235-I239 HydrophobicContact CG2-CD1 3.85Å; I235-I239 HydrophobicContact CG2-CG1 4.46Å; I235-I239 WeakPolarHBondContact O-CB 3.46Å; I235-I239 VanDerWaalsContact O-CG1 3.27Å; I235-I239 WeakPolarHBondContact O-CG1 3.33Å; I235-I239 PolarHBondContact O-N 2.76Å; H236-I239 PolarHBondContact O-N 2.78Å; Q237-I239 VanDerWaalsContact C-N 3.31Å; Q237-I239 PolarHBondContact O-N 2.9Å; I239-D241 PolarHBondContact O-N 2.88Å; I239-I242 PolarHBondContact O-N 3.07Å; I239-T243 PolarHBondContact O-N 3.44Å; I239-T243 PolarHBondContact O-OG1 3.25Å
240	N	57.6	Low	51.9	Low	77 Å²	77	90.1 Å²	90.1	41%	0.412	50%	0.498	S	S	.	.	H	α-helix	trans	-59.2	-47.8	179.6	-68.2	-27.4	0	0	0	111.3	H236 Q237 I242 T243 N244	H236-N240 VanDerWaalsContact O-CG 3.25Å; H236-N240 PolarHBondContact O-N 3.35Å; H236-N240 PolarHBondContact O-ND2 3.32Å; Q237-N240 WeakPolarHBondContact O-CB 3.48Å; Q237-N240 PolarHBondContact O-N 3.22Å; Q237-N240 VanDerWaalsContact O-N 3.17Å; N240-I242 VanDerWaalsContact C-N 3.28Å; N240-I242 PolarHBondContact O-N 3.4Å; N240-T243 WeakPolarHBondContact CA-OG1 3.33Å; N240-T243 PolarHBondContact O-N 3.28Å; N240-T243 PolarHBondContact O-OG1 3.06Å; N240-N244 PolarHBondContact O-N 2.91Å; N240-N244 PolarHBondContact O-ND2 3.03Å
241	D	52.9	Low	50.9	Low	94 Å²	94	96.7 Å²	96.7	50%	0.503	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-34	179	-64	-24	0	0	0	112.1	Q237 I239	Q237-D241 VanDerWaalsContact NE2-CG 3.34Å; Q237-D241 PolarHBondContact NE2-OD1 2.9Å; Q237-D241 PolarHBondContact NE2-OD2 2.95Å; Q237-D241 VanDerWaalsContact NE2-OD2 3.14Å; Q237-D241 PolarHBondContact O-N 3.4Å; I239-D241 PolarHBondContact O-N 2.88Å
242	I	46.2	Very low	49.5	Very low	88 Å²	88	103.8 Å²	103.8	45%	0.451	54%	0.541	S	S	.	.	H	α-helix	trans	-77.1	-18.9	175.4	-72.1	171.7	0	0	0	113	R113 V238 I239 N240	R113-I242 PolarHBondContact NH1-O 3.2Å; V238-I242 HydrophobicContact CG1-CD1 3.65Å; V238-I242 HydrophobicContact CG1-CG1 4.46Å; V238-I242 WeakPolarHBondContact O-CB 3.24Å; V238-I242 WeakPolarHBondContact O-CD1 3.45Å; V238-I242 WeakPolarHBondContact O-CG1 3.28Å; V238-I242 PolarHBondContact O-N 3.42Å; I239-I242 PolarHBondContact O-N 3.07Å; N240-I242 VanDerWaalsContact C-N 3.28Å; N240-I242 PolarHBondContact O-N 3.4Å
243	T	51	Low	48.4	Very low	60 Å²	60	106.4 Å²	106.4	37%	0.368	56%	0.561	S	S	.	*	H	α-helix	trans	-87.8	-23.3	171.6	47.3	0	0	0	0	113.9	A110 I239 N240 D245	A110-T243 HydrophobicContact CB-CG2 3.99Å; I239-T243 PolarHBondContact O-N 3.44Å; I239-T243 PolarHBondContact O-OG1 3.25Å; N240-T243 WeakPolarHBondContact CA-OG1 3.33Å; N240-T243 PolarHBondContact O-N 3.28Å; N240-T243 PolarHBondContact O-OG1 3.06Å; T243-D245 VanDerWaalsContact C-N 3.25Å; T243-D245 PolarHBondContact O-N 3.23Å
244	N	44	Very low	47	Very low	119 Å²	119	108.3 Å²	108.3	64%	0.636	58%	0.577	S	S	*	*			trans	-82.4	9.6	-176.4	-69.5	-22.2	0	0	0	114.7	N240 G246	N240-N244 PolarHBondContact O-N 2.91Å; N240-N244 PolarHBondContact O-ND2 3.03Å; N244-G246 PolarHBondContact O-N 3.22Å
245	D	39.5	Very low	46	Very low	162 Å²	162	108.5 Å²	108.5	87%	0.866	59%	0.592	S	S	*	*			trans	-71.8	29.9	175.2	-132.8	-7.9	0	0	0	112.6	T243	T243-D245 VanDerWaalsContact C-N 3.25Å; T243-D245 PolarHBondContact O-N 3.23Å
246	G	39.2	Very low	44.8	Very low	53 Å²	53	114.4 Å²	114.4	55%	0.546	62%	0.619	S	S	.	*	S	Bend	trans	-137.5	95.1	-168	0	0	0	0	0	113.3	N244	N244-G246 PolarHBondContact O-N 3.22Å
247	D	39.8	Very low	43.7	Very low	110 Å²	110	115 Å²	115	59%	0.588	63%	0.633	S	S	*	*			trans	64.1	59.7	162.8	-60.3	-32.5	0	0	0	117.1	K82 E249	K82-D247 IonicContact NZ-OD1 2.58Å; K82-D247 PolarHBondContact NZ-OD1 3.04Å; D247-E249 PolarHBondContact O-N 2.9Å
248	D	36.6	Very low	42.8	Very low	138 Å²	138	116 Å²	116	74%	0.738	65%	0.65	S	S	*	*			trans	-65.9	89.4	157.9	-175.7	2	0	0	0	110.8	T250	D248-T250 VanDerWaalsContact C-N 3.33Å; D248-T250 PolarHBondContact O-N 3.19Å; D248-T250 PolarHBondContact OD1-N 3.11Å; D248-T250 PolarHBondContact OD1-OG1 3.19Å
249	E	38.2	Very low	41.5	Very low	128 Å²	128	118 Å²	118	60%	0.598	67%	0.665	S	S	*	*			trans	-85.9	71.1	166.2	-67.2	-74	164.5	0	0	109.5	R88 D247 E251	R88-E249 IonicContact CZ-OE1 3.77Å; R88-E249 VanDerWaalsContact NH2-CD 3.32Å; R88-E249 IonicContact NH2-OE1 2.62Å; R88-E249 PolarHBondContact NH2-OE1 3.3Å; R88-E249 IonicContact NH2-OE2 3.2Å; R88-E249 PolarHBondContact NH2-OE2 3.21Å; D247-E249 PolarHBondContact O-N 2.9Å; E249-E251 PolarHBondContact O-N 2.99Å; E249-E251 VanDerWaalsContact O-N 3.09Å
250	T	41.5	Very low	40.7	Very low	111 Å²	111	124.1 Å²	124.1	68%	0.681	70%	0.697	S	S	*	*			trans	-68.4	106	172.5	-14.6	0	0	0	0	110	D248 R252	D248-T250 VanDerWaalsContact C-N 3.33Å; D248-T250 PolarHBondContact O-N 3.19Å; D248-T250 PolarHBondContact OD1-N 3.11Å; D248-T250 PolarHBondContact OD1-OG1 3.19Å; T250-R252 PolarHBondContact O-N 3.17Å
251	E	35.9	Very low	39.6	Very low	192 Å²	192	125.7 Å²	125.7	90%	0.897	71%	0.709	S	S	*	*			trans	-61.3	124.1	177.2	-66.1	-168.3	142.5	0	0	111.3	E249	E249-E251 PolarHBondContact O-N 2.99Å; E249-E251 VanDerWaalsContact O-N 3.09Å
252	R	32.6	Very low	38.7	Very low	231 Å²	231	130 Å²	130	87%	0.872	72%	0.724	S	S	*	*			trans	-108.9	120.2	170.3	-175.4	177.4	179.1	-176.7	0.3	109.2	T250 T254	T250-R252 PolarHBondContact O-N 3.17Å; R252-T254 PolarHBondContact O-N 3.16Å
253	P	37.4	Very low	38.3	Very low	120 Å²	120	135.1 Å²	135.1	78%	0.779	75%	0.745	S	S	*	*			trans	-59.4	131.9	179.4	-23.4	32.6	0	0	0	112.2	A255	P253-A255 PolarHBondContact O-N 2.93Å
254	T	32.1	Very low	37.4	Very low	138 Å²	138	136.5 Å²	136.5	85%	0.847	76%	0.757	S	S	*	*			trans	-80.4	112.4	170.1	46.7	0	0	0	0	110	R252	R252-T254 PolarHBondContact O-N 3.16Å
255	A	43.7	Very low	37.2	Very low	102 Å²	102	137.5 Å²	137.5	84%	0.843	76%	0.763	S	S	*	*			trans	-88.3	145.2	161.9	0	0	0	0	0	109.7	P253	P253-A255 PolarHBondContact O-N 2.93Å
256	E	37.4	Very low	37	Very low	178 Å²	178	136.1 Å²	136.1	83%	0.832	76%	0.755	S	S	*	*			trans	-96.1	158.3	-161.1	-59.5	180	109.5	0	0	115
257	S	37.3	Very low	36.8	Very low	106 Å²	106	140 Å²	140	74%	0.741	76%	0.763	S	S	*	*			trans	75.6	129.4	145.1	75.8	0	0	0	0	121.6
258	S	41.5	Very low	36.7	Very low	113 Å²	113	142.2 Å²	142.2	79%	0.79	78%	0.775	S	S	*	*			trans	83.9	123.2	142.2	-58	0	0	0	0	120.9
259	P	33.4	Very low	36.6	Very low	124 Å²	124	140.4 Å²	140.4	81%	0.805	77%	0.773	S	S	*	*			trans	-100.3	137.4	173.7	36.5	-30.6	0	0	0	113.3
260	I	36.4	Very low	36.4	Very low	163 Å²	163	138.5 Å²	138.5	84%	0.836	78%	0.779	S	S	*	*			trans	-129.3	102.8	168.1	-61.6	-175.4	0	0	0	111.9
261	T	35.1	Very low	36.2	Very low	110 Å²	110	138.3 Å²	138.3	68%	0.675	78%	0.782	S	S	*	*			trans	17.7	115	134.4	-49.7	0	0	0	0	120
262	K	33.8	Very low	36.1	Very low	185 Å²	185	134.9 Å²	134.9	80%	0.804	78%	0.775	S	S	*	*			trans	35.7	122.5	140.5	-48.9	170	-174.9	174.9	0	118.9
263	Q	37.6	Very low	36.3	Very low	195 Å²	195	131.8 Å²	131.8	91%	0.911	77%	0.774	S	S	*	*				-168.8	162.6	102.9	-102.4	171.5	36.6	0	0	112.7
264	S	32.7	Very low	36.4	Very low	88 Å²	88	130.8 Å²	130.8	62%	0.615	77%	0.77	S	S	*	*			trans	-81.6	159.8	-178.6	51.4	0	0	0	0	112.9
265	N	38.7	Very low	36.5	Very low	140 Å²	140	131.3 Å²	131.3	75%	0.749	77%	0.768	S	S	*	*				176.9	106.5	114.3	-82.9	-12.2	0	0	0	113.2
266	N	36.3	Very low	36.6	Very low	134 Å²	134	132.8 Å²	132.8	72%	0.717	77%	0.769	S	S	*	*			trans	30.9	132.7	130.6	-66.3	4.7	0	0	0	122.5
267	N	34.6	Very low	36.4	Very low	133 Å²	133	134.4 Å²	134.4	71%	0.711	77%	0.767	S	S	*	*				102.4	133.4	127.8	-76.2	1.2	0	0	0	122.5
268	L	38.4	Very low	36.4	Very low	158 Å²	158	136.6 Å²	136.6	83%	0.827	77%	0.77	S	S	*	*			trans	71.6	148.2	152.3	-61.2	158.2	0	0	0	117.8
269	S	34.7	Very low	36.2	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	76%	0.762	S	S	*	*			cis	-168.8	154.8	-24.5	-119.8	0	0	0	0	114.2
270	A	33.5	Very low	36.4	Very low	88 Å²	88	138.4 Å²	138.4	73%	0.727	76%	0.759	S	S	*	*			trans	72.6	161.2	143	0	0	0	0	0	123
271	S	36.5	Very low	36.5	Very low	108 Å²	108	137.1 Å²	137.1	76%	0.755	75%	0.753	S	S	*	*			trans	76.7	139.4	158.5	-55.5	0	0	0	0	119.7
272	T	34	Very low	36.5	Very low	120 Å²	120	135.9 Å²	135.9	74%	0.736	75%	0.749	S	S	*	*			cis	179.1	164.3	-38.8	23.1	0	0	0	0	108.5
273	L	37.8	Very low	36.7	Very low	166 Å²	166	133.1 Å²	133.1	87%	0.869	75%	0.753	S	S	*	*			trans	76.3	151.2	177.9	-54.3	179.4	0	0	0	114.4
274	S	38.5	Very low	36.6	Very low	99 Å²	99	129.2 Å²	129.2	69%	0.692	75%	0.747	S	S	*	*			cis	-158.4	175.6	-14.1	43.4	0	0	0	0	110.8
275	N	34.7	Very low	36.8	Very low	148 Å²	148	132.2 Å²	132.2	79%	0.791	76%	0.762	S	S	*	*			trans	-129	171.5	166	-83.6	-24.7	0	0	0	109.2
276	P	44.9	Very low	36.6	Very low	133 Å²	133	129.9 Å²	129.9	86%	0.864	76%	0.756	S	S	*	*				-131.7	167	111.6	37.3	-30.2	0	0	0	114.8
277	R	34.3	Very low	36.5	Very low	213 Å²	213	134.1 Å²	134.1	80%	0.804	77%	0.769	S	S	*	*			trans	-97.9	167.7	172.3	-75.2	-179.3	170.3	178.5	-4.7	111.4
278	L	37.8	Very low	36.5	Very low	152 Å²	152	135.5 Å²	135.5	80%	0.796	77%	0.771	S	S	*	*				-163.5	118.3	116.2	-85.9	173.4	0	0	0	104.9
279	D	36.8	Very low	36.1	Very low	117 Å²	117	132.2 Å²	132.2	63%	0.626	76%	0.76	S	S	*	*				76.9	128.9	80	-65.6	8.9	0	0	0	112.3
280	E	36.6	Very low	36.1	Very low	157 Å²	157	136 Å²	136	73%	0.734	77%	0.771	S	S	*	*			cis	-131.3	-116.7	-16	-157.1	-141.4	122.1	0	0	110.8	S282	E280-S282 PolarHBondContact OE1-N 3.36Å
281	L	39.4	Very low	36	Very low	137 Å²	137	138.1 Å²	138.1	72%	0.717	77%	0.771	S	S	*	*			cis	-145.4	123.8	-8.4	-144.1	-170.5	0	0	0	111.9
282	S	34.9	Very low	35.7	Very low	84 Å²	84	141.9 Å²	141.9	59%	0.587	77%	0.773	S	S	*	*			trans	37.7	112.4	160.2	-66.1	0	0	0	0	122.2	E280	E280-S282 PolarHBondContact OE1-N 3.36Å
283	S	38.2	Very low	35.8	Very low	127 Å²	127	141.6 Å²	141.6	89%	0.888	78%	0.776	S	S	*	*				-177.1	126.3	109.4	-82	0	0	0	0	112.9
284	S	35.4	Very low	35.7	Very low	112 Å²	112	138.9 Å²	138.9	78%	0.783	77%	0.771	S	S	*	*			trans	-82.1	143.1	-170.3	54.9	0	0	0	0	115.4
285	T	37.5	Very low	35.5	Very low	152 Å²	152	141.3 Å²	141.3	93%	0.933	78%	0.777	S	S	*	*				-144.1	146.3	119.9	29	0	0	0	0	109.2
286	S	33.1	Very low	35.4	Very low	91 Å²	91	139.4 Å²	139.4	64%	0.636	78%	0.775	S	S	*	*			trans	-112.6	138.2	-169.3	179.4	0	0	0	0	111.9
287	F	34.7	Very low	35.1	Very low	222 Å²	222	142.1 Å²	142.1	97%	0.974	77%	0.773	S	S	*	*			trans	-144.9	113.3	139.1	-85.5	-64.7	0	0	0	109.2
288	H	34.7	Very low	35.1	Very low	162 Å²	162	139.9 Å²	139.9	75%	0.75	77%	0.772	S	S	*	*			trans	-97.9	151.7	-173.6	-162.7	-105.6	0	0	0	112.4
289	C	29.3	Very low	34.9	Very low	90 Å²	90	140.2 Å²	140.2	61%	0.608	77%	0.774	S	S	*	*			trans	-34.4	156.9	174.9	-43.7	0	0	0	0	116.6
290	L	34.5	Very low	34.7	Very low	177 Å²	177	139 Å²	139	93%	0.927	77%	0.774	S	S	*	*				-159.6	171.1	103.9	-103.7	165.8	0	0	0	113.2
291	N	31.2	Very low	34.9	Very low	133 Å²	133	140.9 Å²	140.9	71%	0.711	78%	0.78	S	S	*	*			trans	-113.2	165.6	-157.4	-142.3	-28.3	0	0	0	112.8
292	K	31.1	Very low	34.8	Very low	187 Å²	187	141.6 Å²	141.6	81%	0.813	78%	0.782	S	S	*	*			trans	-10.9	135.4	168	-64.6	159.7	-177.8	179.4	0	117.8
293	S	35.8	Very low	35	Very low	114 Å²	114	145.5 Å²	145.5	80%	0.797	80%	0.796	S	S	*	*			trans	-138.9	139.8	132.6	-169.4	0	0	0	0	110.2
294	S	35.8	Very low	35.2	Very low	109 Å²	109	146.8 Å²	146.8	76%	0.762	79%	0.786	S	S	*	*			trans	-97.8	133.7	176.1	-58.3	0	0	0	0	108.9
295	N	35.7	Very low	35.4	Very low	151 Å²	151	148.6 Å²	148.6	81%	0.807	79%	0.787	S	S	*	*			trans	-141.8	132.8	162.7	-99.1	-40.7	0	0	0	110.9
296	S	31.4	Very low	35.4	Very low	108 Å²	108	146.3 Å²	146.3	76%	0.755	78%	0.777	S	S	*	*			trans	-105.8	129.7	175.8	177.8	0	0	0	0	108.5
297	F	39.5	Very low	35.6	Very low	190 Å²	190	146.9 Å²	146.9	83%	0.833	78%	0.781	S	S	*	*			trans	-131.1	117.9	165.4	-94.7	-87.3	0	0	0	109.2
298	Q	32.8	Very low	35.8	Very low	165 Å²	165	141.1 Å²	141.1	77%	0.771	77%	0.768	S	S	*	*			trans	-75.9	140.1	156.9	-69.8	-168.5	14.7	0	0	108.7
299	L	34.9	Very low	36.1	Very low	159 Å²	159	141.5 Å²	141.5	83%	0.832	77%	0.77	S	S	*	*			trans	-131	120.4	147.2	-84.4	174.7	0	0	0	108
300	S	31.9	Very low	36.5	Very low	91 Å²	91	142.8 Å²	142.8	64%	0.636	78%	0.778	S	S	*	*			trans	-103.9	132.2	175.3	47.8	0	0	0	0	109.1
301	F	40.2	Very low	36.8	Very low	197 Å²	197	139.9 Å²	139.9	86%	0.864	77%	0.772	S	S	*	*			trans	-136.3	143.7	162	-84.8	-73.3	0	0	0	110.1
302	M	38.5	Very low	37.1	Very low	153 Å²	153	142.3 Å²	142.3	75%	0.754	78%	0.779	S	S	*	*			trans	-98.3	152.9	-168.8	-61	155	59.3	0	0	110.6
303	N	39.5	Very low	37.5	Very low	166 Å²	166	141.8 Å²	141.8	89%	0.888	78%	0.784	S	S	*	*			trans	-137.2	151.9	144	-155.8	-3.3	0	0	0	110
304	K	41.6	Very low	37.7	Very low	153 Å²	153	144.2 Å²	144.2	67%	0.665	78%	0.783	S	S	*	*			trans	-127.9	147.1	-173.4	-69.7	177.9	176.1	175.6	0	110.5
305	N	40.4	Very low	38	Very low	150 Å²	150	146.9 Å²	146.9	80%	0.802	79%	0.788	S	S	*	*			trans	-179.9	117.6	138.3	-89.1	-23.5	0	0	0	106.2
306	S	36.7	Very low	38.3	Very low	105 Å²	105	144.4 Å²	144.4	73%	0.734	78%	0.783	S	S	*	*				65.5	134.9	75.3	76.5	0	0	0	0	111.8
307	S	37	Very low	39.2	Very low	102 Å²	102	145.4 Å²	145.4	71%	0.713	79%	0.786	S	S	*	*			cis	-157.6	160.1	16.8	-177.7	0	0	0	0	112.7
308	S	39.8	Very low	39.9	Very low	101 Å²	101	141.9 Å²	141.9	71%	0.706	78%	0.783	S	S	*	*			trans	48.1	146.1	146.6	51.8	0	0	0	0	122
309	Q	41.6	Very low	40.5	Very low	170 Å²	170	139.4 Å²	139.4	79%	0.794	78%	0.781	S	S	*	*			cis	-160.8	157.1	-8.1	-111.4	-162.1	23	0	0	108.2
310	P	37.1	Very low	40.3	Very low	118 Å²	118	138.7 Å²	138.7	77%	0.766	78%	0.783	S	S	*	*			trans	-100	145.5	164.8	36.5	-29.7	0	0	0	112.3
311	S	40.4	Very low	40.9	Very low	116 Å²	116	142.4 Å²	142.4	81%	0.811	79%	0.79	S	S	*	*			trans	-152.2	138.2	165.3	-81.2	0	0	0	0	110.9
312	Q	37.6	Very low	40.9	Very low	184 Å²	184	141.4 Å²	141.4	86%	0.86	79%	0.789	S	S	*	*			trans	-92.1	148.9	173.5	-58.4	-177.2	19.4	0	0	110.2
313	L	40.2	Very low	40.8	Very low	175 Å²	175	142.7 Å²	142.7	92%	0.916	79%	0.793	S	S	*	*			trans	-147.3	140.7	148.7	-101	173	0	0	0	109.1
314	Q	38.7	Very low	40.7	Very low	166 Å²	166	142.5 Å²	142.5	78%	0.776	79%	0.786	S	S	*	*			trans	-86.6	158.9	177.1	-59.6	159.9	-89.6	0	0	110.3
315	L	42.6	Very low	40.5	Very low	164 Å²	164	142.9 Å²	142.9	86%	0.859	79%	0.791	S	S	*	*				175.3	147.7	120.7	-93.1	156.7	0	0	0	114.2
316	S	41.3	Very low	40.1	Very low	100 Å²	100	141 Å²	141	70%	0.699	79%	0.789	S	S	*	*			trans	52.2	118.4	156.4	59.4	0	0	0	0	122.1
317	P	51.8	Low	40.1	Very low	128 Å²	128	144.8 Å²	144.8	83%	0.831	80%	0.795	S	S	*	*			trans	-105.4	142	154.9	37.1	-29	0	0	0	113
318	P	52.7	Low	40	Very low	117 Å²	117	149.9 Å²	149.9	76%	0.76	81%	0.805	S	S	*	*			trans	-147.3	-178.7	146.6	40.7	-25.4	0	0	0	113
319	P	45.5	Very low	39.7	Very low	112 Å²	112	152 Å²	152	73%	0.727	81%	0.813	S	S	*	*				-127.2	168.3	-55.2	38.4	-25.1	0	0	0	112.1
320	T	32	Very low	39.5	Very low	144 Å²	144	152.6 Å²	152.6	88%	0.883	81%	0.813	S	S	*	*			trans	-79.7	120	178.4	-44.9	0	0	0	0	112.4
321	Q	43.1	Very low	39.5	Very low	169 Å²	169	155.2 Å²	155.2	79%	0.79	82%	0.82	S	S	*	*			trans	-135.6	115.9	165.6	-73.9	-166.6	-8.4	0	0	113.9
322	Q	39.9	Very low	39.3	Very low	177 Å²	177	155.8 Å²	155.8	83%	0.827	81%	0.814	S	S	*	*			trans	36.6	111.2	140.1	-64	176.2	-7	0	0	120.7
323	Q	36.6	Very low	39.5	Very low	179 Å²	179	152.6 Å²	152.6	84%	0.836	81%	0.809	S	S	*	*			trans	15.7	112.1	132	-62.9	175.3	-21.2	0	0	118.2
324	Q	38.1	Very low	39.4	Very low	162 Å²	162	151 Å²	151	76%	0.757	80%	0.8	S	S	*	*				-174.1	160.7	102.8	-102.8	176.3	70.7	0	0	114
325	Q	37.4	Very low	39.2	Very low	162 Å²	162	149.4 Å²	149.4	76%	0.757	80%	0.797	S	S	*	*			trans	65.3	107.2	158.7	-67.9	169.4	35.9	0	0	120.7
326	S	32.9	Very low	39	Very low	109 Å²	109	150.1 Å²	150.1	76%	0.762	79%	0.79	S	S	*	*				102.6	133.9	124.1	82.1	0	0	0	0	121.4
327	Q	34.9	Very low	39	Very low	185 Å²	185	153.8 Å²	153.8	86%	0.864	79%	0.793	S	S	*	*			trans	57.7	80.1	151.4	-61.1	-179	32	0	0	120.7
328	K	35.2	Very low	38.7	Very low	210 Å²	210	154.2 Å²	154.2	91%	0.913	78%	0.779	S	S	*	*				-166.1	92.8	125.3	-115	170.6	-178.1	170.8	0	112.5
329	T	33.8	Very low	38.2	Very low	145 Å²	145	151.2 Å²	151.2	89%	0.89	76%	0.761	S	S	*	*			trans	-72.4	127	163.4	31	0	0	0	0	109.4
330	K	37.6	Very low	38.3	Very low	182 Å²	182	151.1 Å²	151.1	79%	0.791	75%	0.754	S	S	*	*			trans	-81	133.1	-176.9	-170.3	-178.6	179	-169.7	0	109	D332	K330-D332 PolarHBondContact O-N 2.89Å
331	L	37.8	Very low	39.1	Very low	174 Å²	174	150.1 Å²	150.1	91%	0.911	74%	0.739	S	S	*	*			trans	-72.9	106.7	173.9	-80.9	157.9	0	0	0	109.5
332	D	35.1	Very low	39.6	Very low	127 Å²	127	144.7 Å²	144.7	68%	0.679	72%	0.718	S	S	*	*			trans	-79.7	141.7	169.9	-75	-44.9	0	0	0	111	K330 I334	K330-D332 PolarHBondContact O-N 2.89Å; D332-I334 PolarHBondContact O-N 3.25Å
333	P	42.9	Very low	40.3	Very low	118 Å²	118	140.5 Å²	140.5	77%	0.766	70%	0.7	S	S	*	*			trans	-78.8	92.5	-170.4	30.8	-35.6	0	0	0	112.7	N335	P333-N335 PolarHBondContact O-N 3.02Å
334	I	38.4	Very low	41	Very low	140 Å²	140	139.6 Å²	139.6	72%	0.718	69%	0.689	S	S	*	*			trans	35.4	72.4	145.7	-51.3	-176.9	0	0	0	113.7	D332 Y336	D332-I334 PolarHBondContact O-N 3.25Å; I334-Y336 HydrophobicContact CG2-CD2 3.4Å; I334-Y336 HydrophobicContact CG2-CE2 3.97Å; I334-Y336 HydrophobicContact CG2-CG 4.25Å; I334-Y336 PolarHBondContact O-N 2.9Å
335	N	33.6	Very low	41.8	Very low	134 Å²	134	135.8 Å²	135.8	72%	0.717	68%	0.681	S	S	*	*			trans	-77.1	69.8	172.7	-171.6	15.3	0	0	0	110.8	P333 F337	P333-N335 PolarHBondContact O-N 3.02Å; N335-F337 VanDerWaalsContact C-N 3.31Å; N335-F337 PolarHBondContact O-N 2.84Å
336	Y	39.3	Very low	42.7	Very low	179 Å²	179	133.7 Å²	133.7	70%	0.702	67%	0.673	S	S	*	*			trans	-72	86.4	176.1	-108.9	-115.2	0	0	0	110.5	I334 Y338	I334-Y336 HydrophobicContact CG2-CD2 3.4Å; I334-Y336 HydrophobicContact CG2-CE2 3.97Å; I334-Y336 HydrophobicContact CG2-CG 4.25Å; I334-Y336 PolarHBondContact O-N 2.9Å; Y336-Y338 VanDerWaalsContact C-N 3.32Å; Y336-Y338 HydrophobicContact CD1-CD2 4.22Å; Y336-Y338 AromaticContact CD1-CE2 3.85Å; Y336-Y338 HydrophobicContact CD1-CE2 3.85Å; Y336-Y338 PolarHBondContact O-N 2.91Å
337	F	41.2	Very low	44.1	Very low	176 Å²	176	134.4 Å²	134.4	77%	0.772	67%	0.665	S	S	*	*			trans	-59.7	96.7	156.6	-97.2	-99.9	0	0	0	108.6	N335 S339	N335-F337 VanDerWaalsContact C-N 3.31Å; N335-F337 PolarHBondContact O-N 2.84Å; F337-S339 PolarHBondContact O-N 2.95Å
338	Y	45	Very low	45.3	Very low	138 Å²	138	129.2 Å²	129.2	54%	0.541	64%	0.64	S	S	.	*			trans	-64.1	115.7	160.7	-92	-121.7	0	0	0	107.1	Y336 T342	Y336-Y338 VanDerWaalsContact C-N 3.32Å; Y336-Y338 HydrophobicContact CD1-CD2 4.22Å; Y336-Y338 AromaticContact CD1-CE2 3.85Å; Y336-Y338 HydrophobicContact CD1-CE2 3.85Å; Y336-Y338 PolarHBondContact O-N 2.91Å; Y338-T342 HydrophobicContact CD1-CG2 3.44Å; Y338-T342 VanDerWaalsContact CD1-CG2 3.44Å; Y338-T342 HydrophobicContact CE1-CG2 3.47Å; Y338-T342 VanDerWaalsContact CE1-CG2 3.47Å; Y338-T342 HydrophobicContact CG-CG2 4.48Å
339	S	42.8	Very low	46.6	Very low	53 Å²	53	122.4 Å²	122.4	37%	0.371	62%	0.618	S	S	.	*			trans	-68.2	165.1	175.4	78.5	0	0	0	0	110.5	F337 E341 T342 I343	F337-S339 PolarHBondContact O-N 2.95Å; S339-E341 WeakPolarHBondContact CB-OE2 3.43Å; S339-E341 PolarHBondContact O-N 3.29Å; S339-E341 PolarHBondContact OG-OE2 3.01Å; S339-T342 PolarHBondContact O-N 3.21Å; S339-T342 VanDerWaalsContact O-N 3.09Å; S339-I343 PolarHBondContact O-N 3.03Å
340	N	46.2	Very low	47.9	Very low	110 Å²	110	118 Å²	118	59%	0.588	60%	0.596	S	S	*	*	H	α-helix	trans	-63.2	-25.1	-179	-70.8	-57.5	0	0	0	112.1	I343 R344	N340-I343 PolarHBondContact O-N 3.44Å; N340-R344 VanDerWaalsContact O-CG 3.24Å; N340-R344 WeakPolarHBondContact O-CG 3.5Å; N340-R344 PolarHBondContact O-N 3.16Å
341	E	49.4	Very low	49.2	Very low	123 Å²	123	116.1 Å²	116.1	58%	0.575	58%	0.584	S	S	*	*	H	α-helix	trans	-60.5	-45.4	172.4	-65.2	62.8	-131.5	0	0	111.3	S339 I343 R344 S345	S339-E341 WeakPolarHBondContact CB-OE2 3.43Å; S339-E341 PolarHBondContact O-N 3.29Å; S339-E341 PolarHBondContact OG-OE2 3.01Å; E341-I343 VanDerWaalsContact C-N 3.32Å; E341-I343 PolarHBondContact O-N 2.96Å; E341-R344 CarbonylContact O-C 3.55Å; E341-R344 WeakPolarHBondContact O-CB 3.37Å; E341-R344 PolarHBondContact O-N 3.01Å; E341-S345 WeakPolarHBondContact O-CB 3.42Å; E341-S345 PolarHBondContact O-N 2.79Å
342	T	54.2	Low	50.4	Low	56 Å²	56	112.4 Å²	112.4	34%	0.344	56%	0.564	S	S	.	*	H	α-helix	trans	-71	-29.9	-177.2	-42.5	0	0	0	0	112.1	Y338 S339 I346	Y338-T342 HydrophobicContact CD1-CG2 3.44Å; Y338-T342 VanDerWaalsContact CD1-CG2 3.44Å; Y338-T342 HydrophobicContact CE1-CG2 3.47Å; Y338-T342 VanDerWaalsContact CE1-CG2 3.47Å; Y338-T342 HydrophobicContact CG-CG2 4.48Å; S339-T342 PolarHBondContact O-N 3.21Å; S339-T342 VanDerWaalsContact O-N 3.09Å; T342-I346 PolarHBondContact O-N 3.46Å
343	I	53.3	Low	51.9	Low	88 Å²	88	110.9 Å²	110.9	45%	0.451	56%	0.555	S	S	.	*	H	α-helix	trans	-68.7	-47.4	171.2	-61.9	177.2	0	0	0	109.9	S339 N340 E341 S345 I346 Q347	S339-I343 PolarHBondContact O-N 3.03Å; N340-I343 PolarHBondContact O-N 3.44Å; E341-I343 VanDerWaalsContact C-N 3.32Å; E341-I343 PolarHBondContact O-N 2.96Å; I343-S345 VanDerWaalsContact C-N 3.29Å; I343-S345 PolarHBondContact O-N 3.1Å; I343-I346 PolarHBondContact O-N 3.12Å; I343-I346 VanDerWaalsContact O-N 3.13Å; I343-Q347 PolarHBondContact O-N 3.28Å
344	R	52.5	Low	52.8	Low	160 Å²	160	108.8 Å²	108.8	60%	0.604	54%	0.544	S	S	*	.	H	α-helix	trans	-57.6	-40.6	173.9	-69.7	169.3	-168.7	-140.7	5	112	N340 E341 I346 Q347 E348	N340-R344 VanDerWaalsContact O-CG 3.24Å; N340-R344 WeakPolarHBondContact O-CG 3.5Å; N340-R344 PolarHBondContact O-N 3.16Å; E341-R344 CarbonylContact O-C 3.55Å; E341-R344 WeakPolarHBondContact O-CB 3.37Å; E341-R344 PolarHBondContact O-N 3.01Å; R344-I346 PolarHBondContact O-N 3.04Å; R344-Q347 PolarHBondContact O-N 2.94Å; R344-E348 PolarHBondContact O-N 2.88Å
345	S	54.9	Low	54	Low	83 Å²	83	106.2 Å²	106.2	58%	0.58	53%	0.531	S	S	*	.	H	α-helix	trans	-63.1	-21.2	178.5	-171.8	0	0	0	0	114.2	E341 I343 P349	E341-S345 WeakPolarHBondContact O-CB 3.42Å; E341-S345 PolarHBondContact O-N 2.79Å; I343-S345 VanDerWaalsContact C-N 3.29Å; I343-S345 PolarHBondContact O-N 3.1Å; S345-P349 WeakPolarHBondContact O-CD 3.33Å; S345-P349 WeakPolarHBondContact O-CG 3.49Å
346	I	56.2	Low	55.4	Low	117 Å²	117	105.3 Å²	105.3	60%	0.6	53%	0.526	S	S	*	.	H	α-helix	trans	-93.7	-29.1	173.7	-63.9	168.5	0	0	0	110.5	T342 I343 R344	T342-I346 PolarHBondContact O-N 3.46Å; I343-I346 PolarHBondContact O-N 3.12Å; I343-I346 VanDerWaalsContact O-N 3.13Å; R344-I346 PolarHBondContact O-N 3.04Å
347	Q	61.6	Low	56.7	Low	125 Å²	125	103.8 Å²	103.8	58%	0.584	52%	0.523	S	S	*	.	H	α-helix	trans	-78.9	-35.8	-179.1	-164.6	168.1	6	0	0	113.1	I343 R344 A350 R351	I343-Q347 PolarHBondContact O-N 3.28Å; R344-Q347 PolarHBondContact O-N 2.94Å; Q347-A350 PolarHBondContact O-N 3.21Å; Q347-R351 WeakPolarHBondContact O-CB 3.14Å; Q347-R351 PolarHBondContact O-N 3.21Å
348	E	61.2	Low	57.8	Low	75 Å²	75	99 Å²	99	35%	0.35	52%	0.516	S	S	.	.	H	α-helix	trans	-63.3	-44.8	178.9	-76.8	-60.1	148	0	0	113.5	R344 A350 R351 I352	R344-E348 PolarHBondContact O-N 2.88Å; E348-A350 VanDerWaalsContact C-N 3.28Å; E348-A350 PolarHBondContact O-N 3.2Å; E348-R351 WeakPolarHBondContact O-CB 3.49Å; E348-R351 PolarHBondContact O-N 3.35Å; E348-R351 VanDerWaalsContact O-N 3.11Å; E348-R351 IonicContact OE1-CZ 2.92Å; E348-R351 IonicContact OE1-NH1 2.72Å; E348-R351 PolarHBondContact OE1-NH1 3.27Å; E348-R351 IonicContact OE2-NH1 3.24Å; E348-I352 WeakPolarHBondContact O-CB 3.49Å; E348-I352 VanDerWaalsContact O-CG1 3.28Å; E348-I352 WeakPolarHBondContact O-CG1 3.41Å; E348-I352 PolarHBondContact O-N 3.32Å
349	P	62.8	Low	58.6	Low	67 Å²	67	99.9 Å²	99.9	44%	0.435	53%	0.525	S	S	.	.	H	α-helix	trans	-57.4	-38.4	172.5	-26.9	35.3	0	0	0	113.6	S345 L353	S345-P349 WeakPolarHBondContact O-CD 3.33Å; S345-P349 WeakPolarHBondContact O-CG 3.49Å; P349-L353 WeakPolarHBondContact O-CB 3.12Å; P349-L353 VanDerWaalsContact O-CG 3.28Å; P349-L353 WeakPolarHBondContact O-CG 3.44Å; P349-L353 PolarHBondContact O-N 3.23Å
350	A	59.2	Low	59.2	Low	52 Å²	52	102.5 Å²	102.5	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-69.5	-35.3	176.6	0	0	0	0	0	112.4	Q347 E348 S354	Q347-A350 PolarHBondContact O-N 3.21Å; E348-A350 VanDerWaalsContact C-N 3.28Å; E348-A350 PolarHBondContact O-N 3.2Å; A350-S354 WeakPolarHBondContact O-CB 3.43Å; A350-S354 PolarHBondContact O-N 3.44Å; A350-S354 PolarHBondContact O-OG 3.18Å
351	R	65.7	Low	59.9	Low	144 Å²	144	100.7 Å²	100.7	54%	0.543	53%	0.528	S	S	.	.	H	α-helix	trans	-69	-46	174.1	-173.7	-175	-178.4	-164.9	-1.8	111.9	Q347 E348 L353 S354 N355	Q347-R351 WeakPolarHBondContact O-CB 3.14Å; Q347-R351 PolarHBondContact O-N 3.21Å; E348-R351 WeakPolarHBondContact O-CB 3.49Å; E348-R351 PolarHBondContact O-N 3.35Å; E348-R351 VanDerWaalsContact O-N 3.11Å; E348-R351 IonicContact OE1-CZ 2.92Å; E348-R351 IonicContact OE1-NH1 2.72Å; E348-R351 PolarHBondContact OE1-NH1 3.27Å; E348-R351 IonicContact OE2-NH1 3.24Å; R351-L353 PolarHBondContact O-N 3.32Å; R351-S354 PolarHBondContact O-N 2.99Å; R351-N355 PolarHBondContact O-N 3.43Å; R351-N355 PolarHBondContact O-OD1 3.37Å
352	I	62.9	Low	60.5	Low	96 Å²	96	100 Å²	100	49%	0.492	52%	0.523	S	S	.	.	H	α-helix	trans	-59.5	-47.2	175.6	-68.6	163.8	0	0	0	110	E348 S354 N355 L356	E348-I352 WeakPolarHBondContact O-CB 3.49Å; E348-I352 VanDerWaalsContact O-CG1 3.28Å; E348-I352 WeakPolarHBondContact O-CG1 3.41Å; E348-I352 PolarHBondContact O-N 3.32Å; I352-S354 PolarHBondContact O-N 3.32Å; I352-N355 PolarHBondContact O-N 3.34Å; I352-L356 WeakPolarHBondContact O-CB 3.48Å; I352-L356 PolarHBondContact O-N 2.58Å
353	L	66.9	Low	60.2	Low	94 Å²	94	101.7 Å²	101.7	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-60.8	-43.7	174.6	-74.8	169.9	0	0	0	112.1	P349 R351 N355 L356 F357	P349-L353 WeakPolarHBondContact O-CB 3.12Å; P349-L353 VanDerWaalsContact O-CG 3.28Å; P349-L353 WeakPolarHBondContact O-CG 3.44Å; P349-L353 PolarHBondContact O-N 3.23Å; R351-L353 PolarHBondContact O-N 3.32Å; L353-N355 VanDerWaalsContact C-N 3.32Å; L353-N355 PolarHBondContact O-N 3.17Å; L353-L356 WeakPolarHBondContact O-CB 3.47Å; L353-L356 PolarHBondContact O-N 3.4Å; L353-F357 HydrophobicContact CD2-CE2 4.49Å; L353-F357 WeakPolarHBondContact O-CD2 3.43Å; L353-F357 PolarHBondContact O-N 3.34Å
354	S	61.4	Low	59.9	Low	75 Å²	75	99.9 Å²	99.9	52%	0.524	53%	0.53	S	S	.	.	H	α-helix	trans	-60.4	-40.9	177.3	-59	0	0	0	0	112.1	A350 R351 I352 F357 A358	A350-S354 WeakPolarHBondContact O-CB 3.43Å; A350-S354 PolarHBondContact O-N 3.44Å; A350-S354 PolarHBondContact O-OG 3.18Å; R351-S354 PolarHBondContact O-N 2.99Å; I352-S354 PolarHBondContact O-N 3.32Å; S354-F357 PolarHBondContact O-N 2.69Å; S354-A358 WeakPolarHBondContact O-CB 3.47Å; S354-A358 PolarHBondContact O-N 3.09Å
355	N	63.6	Low	59.9	Low	86 Å²	86	95.8 Å²	95.8	46%	0.46	52%	0.518	S	S	.	.	H	α-helix	trans	-68.1	-39.7	174.9	-69.2	5	0	0	0	111.8	R351 I352 L353 F357 A358 H359	R351-N355 PolarHBondContact O-N 3.43Å; R351-N355 PolarHBondContact O-OD1 3.37Å; I352-N355 PolarHBondContact O-N 3.34Å; L353-N355 VanDerWaalsContact C-N 3.32Å; L353-N355 PolarHBondContact O-N 3.17Å; N355-F357 VanDerWaalsContact C-N 3.33Å; N355-F357 PolarHBondContact O-N 3.31Å; N355-A358 WeakPolarHBondContact O-CB 3.05Å; N355-A358 PolarHBondContact O-N 3.26Å; N355-A358 VanDerWaalsContact O-N 3.12Å; N355-H359 PolarHBondContact O-CD2 2.93Å; N355-H359 PolarHBondContact O-N 3.45Å
356	L	64	Low	59.6	Low	114 Å²	114	96.6 Å²	96.6	60%	0.597	52%	0.515	S	S	*	.	H	α-helix	trans	-60.6	-42.9	175.3	-128.2	72.9	0	0	0	111.5	I352 L353 A358 H359 L360	I352-L356 WeakPolarHBondContact O-CB 3.48Å; I352-L356 PolarHBondContact O-N 2.58Å; L353-L356 WeakPolarHBondContact O-CB 3.47Å; L353-L356 PolarHBondContact O-N 3.4Å; L356-A358 VanDerWaalsContact C-N 3.31Å; L356-A358 PolarHBondContact O-N 2.62Å; L356-H359 PolarHBondContact O-N 3.17Å; L356-L360 PolarHBondContact O-N 3.04Å
357	F	65.6	Low	59.2	Low	148 Å²	148	95 Å²	95	65%	0.649	51%	0.507	S	S	*	.	H	α-helix	trans	-70.8	-23.1	174.7	-73.8	-64.2	0	0	0	113.6	L353 S354 N355 H359 L360	L353-F357 HydrophobicContact CD2-CE2 4.49Å; L353-F357 WeakPolarHBondContact O-CD2 3.43Å; L353-F357 PolarHBondContact O-N 3.34Å; S354-F357 PolarHBondContact O-N 2.69Å; N355-F357 VanDerWaalsContact C-N 3.33Å; N355-F357 PolarHBondContact O-N 3.31Å; F357-H359 VanDerWaalsContact C-N 3.3Å; F357-L360 HydrophobicContact CD1-CD1 3.8Å; F357-L360 HydrophobicContact CE1-CD1 4.15Å
358	A	64	Low	58.7	Low	75 Å²	75	96.6 Å²	96.6	62%	0.62	52%	0.515	S	S	*	.	H	α-helix	trans	-76.8	-13.7	174.9	0	0	0	0	0	113.9	S354 N355 L356	S354-A358 WeakPolarHBondContact O-CB 3.47Å; S354-A358 PolarHBondContact O-N 3.09Å; N355-A358 WeakPolarHBondContact O-CB 3.05Å; N355-A358 PolarHBondContact O-N 3.26Å; N355-A358 VanDerWaalsContact O-N 3.12Å; L356-A358 VanDerWaalsContact C-N 3.31Å; L356-A358 PolarHBondContact O-N 2.62Å
359	H	62.1	Low	57.8	Low	157 Å²	157	100 Å²	100	73%	0.727	54%	0.535	S	S	*	.	S	Bend	trans	-110.4	0.1	178.1	-62.1	-50.7	0	0	0	114	N355 L356 F357	N355-H359 PolarHBondContact O-CD2 2.93Å; N355-H359 PolarHBondContact O-N 3.45Å; L356-H359 PolarHBondContact O-N 3.17Å; F357-H359 VanDerWaalsContact C-N 3.3Å
360	L	56.1	Low	56.7	Low	108 Å²	108	98.6 Å²	98.6	57%	0.565	53%	0.527	S	S	*	.	S	Bend	trans	-77.7	128.2	167.6	-76.7	168.8	0	0	0	109	L356 F357	L356-L360 PolarHBondContact O-N 3.04Å; F357-L360 HydrophobicContact CD1-CD1 3.8Å; F357-L360 HydrophobicContact CE1-CD1 4.15Å
361	P	60.9	Low	55.8	Low	71 Å²	71	102.7 Å²	102.7	46%	0.461	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-61.5	143.7	177.6	26.4	-34	0	0	0	110.1	E365 I366	P361-E365 WeakPolarHBondContact CA-OE2 3.39Å; P361-E365 HydrophobicContact CB-CB 4.27Å; P361-I366 HydrophobicContact CB-CG1 4.19Å; P361-I366 HydrophobicContact CG-CD1 4.21Å; P361-I366 HydrophobicContact CG-CG1 3.93Å
362	K	62.2	Low	54.6	Low	109 Å²	109	104.2 Å²	104.2	47%	0.474	56%	0.555	S	S	.	*	P	Polyproline II helix	trans	-61.3	151.4	177.9	-59.5	178.1	-160.7	162.3	0	109.8	S364 E365 I366	K362-S364 WeakPolarHBondContact CB-OG 3.34Å; K362-S364 PolarHBondContact O-N 3.46Å; K362-S364 VanDerWaalsContact O-N 3.08Å; K362-E365 HydrophobicContact CB-CB 4.41Å; K362-E365 HydrophobicContact CB-CG 4.06Å; K362-E365 WeakPolarHBondContact CD-OE1 3.45Å; K362-E365 WeakPolarHBondContact CE-OE1 3.43Å; K362-E365 WeakPolarHBondContact CG-OE1 3.26Å; K362-E365 PolarHBondContact N-OE2 3.22Å; K362-E365 IonicContact NZ-OE1 2.83Å; K362-E365 PolarHBondContact NZ-OE1 3.04Å; K362-E365 WeakPolarHBondContact O-CB 3.44Å; K362-E365 PolarHBondContact O-N 3.22Å; K362-I366 PolarHBondContact O-N 2.99Å
363	P	47	Very low	53.5	Low	91 Å²	91	107.4 Å²	107.4	59%	0.591	57%	0.567	S	S	*	*	H	α-helix	trans	-52.7	-33.3	173.8	-27.2	35.8	0	0	0	113.2	L367	P363-L367 WeakPolarHBondContact O-CG 3.42Å; P363-L367 PolarHBondContact O-N 3.35Å
364	S	47.4	Very low	52.1	Low	51 Å²	51	109.7 Å²	109.7	36%	0.357	58%	0.579	S	S	.	*	H	α-helix	trans	-68.6	-31.7	173.9	44.6	0	0	0	0	114.7	K362	K362-S364 WeakPolarHBondContact CB-OG 3.34Å; K362-S364 PolarHBondContact O-N 3.46Å; K362-S364 VanDerWaalsContact O-N 3.08Å
365	E	51.9	Low	50.9	Low	74 Å²	74	112.6 Å²	112.6	35%	0.346	58%	0.579	S	S	.	*	H	α-helix	trans	-76.9	-34.4	178.9	-68.9	157.4	-169.9	0	0	111.1	P361 K362 L367 Q368	P361-E365 WeakPolarHBondContact CA-OE2 3.39Å; P361-E365 HydrophobicContact CB-CB 4.27Å; K362-E365 HydrophobicContact CB-CB 4.41Å; K362-E365 HydrophobicContact CB-CG 4.06Å; K362-E365 WeakPolarHBondContact CD-OE1 3.45Å; K362-E365 WeakPolarHBondContact CE-OE1 3.43Å; K362-E365 WeakPolarHBondContact CG-OE1 3.26Å; K362-E365 PolarHBondContact N-OE2 3.22Å; K362-E365 IonicContact NZ-OE1 2.83Å; K362-E365 PolarHBondContact NZ-OE1 3.04Å; K362-E365 WeakPolarHBondContact O-CB 3.44Å; K362-E365 PolarHBondContact O-N 3.22Å; E365-L367 VanDerWaalsContact C-N 3.26Å; E365-L367 PolarHBondContact O-N 3.17Å; E365-Q368 PolarHBondContact O-N 3.21Å
366	I	49.5	Very low	49.8	Very low	100 Å²	100	114.8 Å²	114.8	51%	0.513	59%	0.589	S	S	.	*	H	α-helix	trans	-63	-34.6	173.7	-59.5	172.7	0	0	0	111.2	P361 K362 S370	P361-I366 HydrophobicContact CB-CG1 4.19Å; P361-I366 HydrophobicContact CG-CD1 4.21Å; P361-I366 HydrophobicContact CG-CG1 3.93Å; K362-I366 PolarHBondContact O-N 2.99Å; I366-S370 PolarHBondContact O-OG 3.39Å
367	L	47.3	Very low	48.6	Very low	84 Å²	84	116.4 Å²	116.4	44%	0.44	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.2	-16.4	178.9	-70.4	170.7	0	0	0	114.3	P363 E365	P363-L367 WeakPolarHBondContact O-CG 3.42Å; P363-L367 PolarHBondContact O-N 3.35Å; E365-L367 VanDerWaalsContact C-N 3.26Å; E365-L367 PolarHBondContact O-N 3.17Å
368	Q	50.4	Low	47.2	Very low	158 Å²	158	116.6 Å²	116.6	74%	0.738	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-25.3	-180	-75.5	179.8	-19.8	0	0	113.6	E365	E365-Q368 PolarHBondContact O-N 3.21Å
369	N	42.3	Very low	45.9	Very low	146 Å²	146	124.2 Å²	124.2	78%	0.781	62%	0.619	S	S	*	*	S	Bend	trans	-101.9	-2	-176.8	-78.3	-29.9	0	0	0	114.9
370	S	40.3	Very low	44.6	Very low	38 Å²	38	124.3 Å²	124.3	27%	0.266	62%	0.624	S	S	.	*	S	Bend	trans	-87.7	112	169.6	27.6	0	0	0	0	110.3	I366 W375	I366-S370 PolarHBondContact O-OG 3.39Å; S370-W375 VanDerWaalsContact O-CZ2 3.24Å; S370-W375 WeakPolarHBondContact O-CZ2 3.41Å; S370-W375 WeakPolarHBondContact OG-CZ2 3.48Å; S370-W375 PolarHBondContact OG-NE1 3.14Å
371	N	39.2	Very low	43.5	Very low	137 Å²	137	124.2 Å²	124.2	73%	0.733	63%	0.63	S	S	*	*			trans	-53.4	147.8	176.5	-80	-77.1	0	0	0	111.8	H373	N371-H373 PolarHBondContact O-N 2.95Å
372	Q	41.7	Very low	42.1	Very low	177 Å²	177	127.9 Å²	127.9	83%	0.827	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	15.7	-166.7	-63.3	175.1	-38	0	0	116.6
373	H	39.5	Very low	40.7	Very low	162 Å²	162	130.6 Å²	130.6	75%	0.75	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	0.8	-168.7	-153.8	-72.8	0	0	0	114.5	N371	N371-H373 PolarHBondContact O-N 2.95Å
374	L	38	Very low	39.9	Very low	142 Å²	142	136.1 Å²	136.1	74%	0.743	67%	0.669	S	S	*	*	S	Bend	trans	-110.3	-8	-173.3	-70.7	175.1	0	0	0	115.9
375	W	36.4	Very low	39.1	Very low	137 Å²	137	138.9 Å²	138.9	52%	0.519	69%	0.688	S	S	.	*	S	Bend	trans	-100.1	-6.6	-171.9	-44.8	-34	0	0	0	115	S370 N377	S370-W375 VanDerWaalsContact O-CZ2 3.24Å; S370-W375 WeakPolarHBondContact O-CZ2 3.41Å; S370-W375 WeakPolarHBondContact OG-CZ2 3.48Å; S370-W375 PolarHBondContact OG-NE1 3.14Å; W375-N377 VanDerWaalsContact C-N 3.34Å; W375-N377 PolarHBondContact O-N 3.2Å
376	I	41	Very low	38.2	Very low	131 Å²	131	142.2 Å²	142.2	67%	0.672	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-29.4	-168.2	-63.2	176.5	0	0	0	112.7
377	N	37.5	Very low	37.6	Very low	148 Å²	148	145.9 Å²	145.9	79%	0.791	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	6.2	-164.6	-67	-5.8	0	0	0	116	W375	W375-N377 VanDerWaalsContact C-N 3.34Å; W375-N377 PolarHBondContact O-N 3.2Å
378	N	37.3	Very low	36.9	Very low	153 Å²	153	153 Å²	153	82%	0.818	75%	0.746	S	S	*	*			trans	-129.7	48.5	-174.6	-90.3	-37.8	0	0	0	114.4	L380	N378-L380 PolarHBondContact O-N 2.93Å
379	R	36.9	Very low	36	Very low	235 Å²	235	153.7 Å²	153.7	89%	0.887	76%	0.755	S	S	*	*			trans	-89.2	91.9	163.5	-80	-171.2	178.7	-101.6	4.9	111	P381	R379-P381 WeakPolarHBondContact O-CD 3.42Å
380	L	33.5	Very low	35.7	Very low	159 Å²	159	150 Å²	150	83%	0.832	75%	0.751	S	S	*	*			trans	-71.5	123.2	159.8	-78.6	169.9	0	0	0	109.3	N378 I382	N378-L380 PolarHBondContact O-N 2.93Å; L380-I382 PolarHBondContact O-N 3.28Å
381	P	32.3	Very low	35.5	Very low	106 Å²	106	158.5 Å²	158.5	69%	0.688	78%	0.783	S	S	*	*			trans	-81.6	107	-177.1	31.1	-33.1	0	0	0	111.3	R379 Q383	R379-P381 WeakPolarHBondContact O-CD 3.42Å; P381-Q383 PolarHBondContact O-N 3.2Å; P381-Q383 VanDerWaalsContact O-N 3.08Å
382	I	33.1	Very low	35.1	Very low	147 Å²	147	159 Å²	159	75%	0.754	79%	0.785	S	S	*	*			trans	-76.5	93.5	165.3	-57.2	-179.9	0	0	0	107.8	L380 Y384	L380-I382 PolarHBondContact O-N 3.28Å; I382-Y384 HydrophobicContact CG2-CD2 4.05Å; I382-Y384 HydrophobicContact CG2-CE2 4.06Å; I382-Y384 PolarHBondContact O-N 3.38Å
383	Q	31.1	Very low	35	Very low	166 Å²	166	157.9 Å²	157.9	78%	0.776	78%	0.784	S	S	*	*			trans	-71	112.8	174.6	-69.3	-177.4	-48.9	0	0	110.4	P381	P381-Q383 PolarHBondContact O-N 3.2Å; P381-Q383 VanDerWaalsContact O-N 3.08Å
384	Y	30.3	Very low	34.7	Very low	207 Å²	207	156.1 Å²	156.1	81%	0.812	78%	0.781	S	S	*	*			trans	-101.6	105.5	156.9	-92.4	-85.6	0	0	0	108.2	I382	I382-Y384 HydrophobicContact CG2-CD2 4.05Å; I382-Y384 HydrophobicContact CG2-CE2 4.06Å; I382-Y384 PolarHBondContact O-N 3.38Å
385	S	32.1	Very low	34.7	Very low	109 Å²	109	156.1 Å²	156.1	76%	0.762	78%	0.781	S	S	*	*			trans	-108.9	91.1	174.7	-63.9	0	0	0	0	109.3
386	D	33.2	Very low	34.8	Very low	145 Å²	145	155.7 Å²	155.7	78%	0.775	79%	0.789	S	S	*	*			trans	-77.1	155.8	161.9	-82.4	-44.4	0	0	0	110
387	Q	35.5	Very low	34.3	Very low	176 Å²	176	157 Å²	157	82%	0.822	80%	0.797	S	S	*	*			trans	69.9	105.8	176.6	-50.6	178.8	2.2	0	0	116.1
388	Y	32.5	Very low	34.2	Very low	235 Å²	235	157.1 Å²	157.1	92%	0.922	80%	0.796	S	S	*	*				-155.6	146.8	106.3	-106.8	-73.1	0	0	0	110.3
389	D	32.9	Very low	34	Very low	172 Å²	172	157.3 Å²	157.3	92%	0.92	80%	0.796	S	S	*	*			trans	-93.5	124	178.8	-160.5	-7.6	0	0	0	109.1
390	G	34.8	Very low	33.6	Very low	69 Å²	69	156.3 Å²	156.3	71%	0.711	79%	0.794	S	S	*	*			trans	-170.4	117.9	-165.1	0	0	0	0	0	114.1
391	K	37.3	Very low	33.4	Very low	215 Å²	215	157.8 Å²	157.8	94%	0.935	79%	0.793	S	S	*	*			trans	-45.2	144.8	-173.1	-64.1	175	178.5	177.1	0	116.3
392	I	31	Very low	33.6	Very low	148 Å²	148	158.1 Å²	158.1	76%	0.759	80%	0.798	S	S	*	*			trans	-58.3	135.1	162.9	-59.7	160.6	0	0	0	110.3
393	D	38	Very low	33.7	Very low	153 Å²	153	155.6 Å²	155.6	82%	0.818	79%	0.793	S	S	*	*			trans	-147.5	168.1	139.7	-110.2	-42.7	0	0	0	109.7
394	N	34.7	Very low	33.7	Very low	126 Å²	126	154.1 Å²	154.1	67%	0.674	80%	0.795	S	S	*	*			trans	-100.8	166.6	-153.7	-60.9	-88.3	0	0	0	115.6
395	N	37.8	Very low	33.9	Very low	142 Å²	142	152.4 Å²	152.4	76%	0.759	80%	0.795	S	S	*	*			trans	100.3	131.4	156.8	-65	7.2	0	0	0	120.8
396	D	37.5	Very low	34	Very low	127 Å²	127	156.4 Å²	156.4	68%	0.679	80%	0.801	S	S	*	*			trans	69.1	97.4	142	-56	-26.9	0	0	0	122.9
397	N	32.2	Very low	33.9	Very low	158 Å²	158	158 Å²	158	85%	0.845	81%	0.806	S	S	*	*			trans	22.5	113.8	132.3	-66.6	-46.6	0	0	0	119.2
398	I	33.9	Very low	33.7	Very low	151 Å²	151	155 Å²	155	77%	0.774	81%	0.805	S	S	*	*			trans	-125.4	124.6	154.6	-61.5	-178.7	0	0	0	109.7	Y400	I398-Y400 HydrophobicContact CG2-CD2 4.18Å
399	I	33.3	Very low	33.7	Very low	158 Å²	158	150.1 Å²	150.1	81%	0.81	80%	0.8	S	S	*	*			trans	-90.5	136.8	171.2	-64	170.5	0	0	0	108.2
400	Y	29.4	Very low	33.6	Very low	213 Å²	213	147.9 Å²	147.9	84%	0.835	80%	0.795	S	S	*	*			trans	-115.5	138.6	171.9	-120.5	-91.5	0	0	0	112.6	I398	I398-Y400 HydrophobicContact CG2-CD2 4.18Å
401	K	29.6	Very low	33.5	Very low	191 Å²	191	151.9 Å²	151.9	83%	0.83	80%	0.798	S	S	*	*			trans	-121	137.2	170.9	-90.3	-174.8	172	-177.2	0	109.3
402	S	35.3	Very low	33.4	Very low	112 Å²	112	149.7 Å²	149.7	78%	0.783	79%	0.791	S	S	*	*			trans	-149.7	119.5	152.2	-162.8	0	0	0	0	105.2
403	S	35	Very low	33.3	Very low	94 Å²	94	151.2 Å²	151.2	66%	0.657	80%	0.795	S	S	*	*				75.6	105.7	53.7	-57.5	0	0	0	0	112.2
404	V	30.6	Very low	33.1	Very low	135 Å²	135	149.2 Å²	149.2	82%	0.818	79%	0.793	S	S	*	*			trans	15.6	140.4	144.7	-79.5	0	0	0	0	118.4
405	E	35.9	Very low	32.9	Very low	172 Å²	172	150.7 Å²	150.7	80%	0.804	80%	0.796	S	S	*	*				-154.1	153.8	68.6	-82.8	169.5	174.3	0	0	114.2
406	E	32.9	Very low	33	Very low	192 Å²	192	151.3 Å²	151.3	90%	0.897	80%	0.799	S	S	*	*			trans	-96.2	129.6	169.3	-69.8	-177.9	117	0	0	110.7
407	M	32.7	Very low	32.9	Very low	178 Å²	178	151.5 Å²	151.5	88%	0.877	80%	0.8	S	S	*	*			trans	-111.4	109.2	166.3	-80.8	-167.7	169.4	0	0	110.6
408	S	30.7	Very low	33	Very low	115 Å²	115	155.7 Å²	155.7	80%	0.804	81%	0.806	S	S	*	*			trans	-90.3	128.7	170.3	-71.2	0	0	0	0	110.9
409	T	32.6	Very low	33.2	Very low	131 Å²	131	156.5 Å²	156.5	80%	0.804	81%	0.806	S	S	*	*			trans	-131.2	114.7	172.8	43.1	0	0	0	0	110.8
410	P	30	Very low	33.3	Very low	125 Å²	125	156.8 Å²	156.8	81%	0.812	80%	0.804	S	S	*	*			trans	-98.2	132.1	180	34.9	-30.6	0	0	0	112.1
411	I	33.1	Very low	33.7	Very low	154 Å²	154	150.2 Å²	150.2	79%	0.79	80%	0.801	S	S	*	*			trans	-136.1	135	172.6	-66.5	-174.7	0	0	0	110.6
412	Q	34.8	Very low	34	Very low	169 Å²	169	148.3 Å²	148.3	79%	0.79	80%	0.795	S	S	*	*			trans	14.3	123.6	173.6	-93.3	74.9	-12.1	0	0	120.6
413	Q	28.9	Very low	34.1	Very low	179 Å²	179	154.2 Å²	154.2	84%	0.836	80%	0.801	S	S	*	*			trans	-78.9	137.1	144.9	-68.8	173.5	-26.5	0	0	109.9
414	S	33.7	Very low	34.3	Very low	111 Å²	111	155.7 Å²	155.7	78%	0.776	80%	0.802	S	S	*	*			trans	-104.8	113.8	162.9	54.6	0	0	0	0	109.5
415	H	31.2	Very low	34.5	Very low	158 Å²	158	158.1 Å²	158.1	73%	0.731	80%	0.802	S	S	*	*			trans	-80	121.9	171.9	-109.7	-92.9	0	0	0	109.7
416	D	39.5	Very low	34.6	Very low	154 Å²	154	155.4 Å²	155.4	82%	0.824	80%	0.799	S	S	*	*			trans	-134.7	140.2	160.8	-99.2	-51	0	0	0	109.9
417	N	36	Very low	34.6	Very low	132 Å²	132	154.2 Å²	154.2	71%	0.706	80%	0.798	S	S	*	*			trans	-100	127.1	-167.5	-62.9	-73.2	0	0	0	111.7
418	Y	33.2	Very low	34.8	Very low	246 Å²	246	155.2 Å²	155.2	97%	0.965	80%	0.801	S	S	*	*			trans	-136.7	140.7	155.3	-106.7	-86	0	0	0	111
419	Q	39.5	Very low	35.1	Very low	167 Å²	167	155.9 Å²	155.9	78%	0.78	80%	0.8	S	S	*	*			trans	-98.2	155.4	-168.5	-75.4	-170.4	-16.7	0	0	114.3
420	H	35.4	Very low	35	Very low	165 Å²	165	154.9 Å²	154.9	76%	0.764	80%	0.798	S	S	*	*			trans	54.9	109.6	154.4	-73	-60.1	0	0	0	119.8
421	G	36.5	Very low	35.2	Very low	75 Å²	75	156 Å²	156	77%	0.773	80%	0.796	S	S	*	*			trans	-163.1	61.1	166.1	0	0	0	0	0	112.2	Y423	G421-Y423 PolarHBondContact O-N 3.49Å
422	H	36	Very low	35.2	Very low	151 Å²	151	157.3 Å²	157.3	70%	0.699	80%	0.796	S	S	*	*			trans	-71	110.3	-178.1	-85.7	-78.4	0	0	0	112.6
423	Y	38.4	Very low	35.2	Very low	235 Å²	235	156.6 Å²	156.6	92%	0.922	80%	0.795	S	S	*	*			trans	-133.9	146.7	147.7	-84.4	-78.4	0	0	0	109.3	G421	G421-Y423 PolarHBondContact O-N 3.49Å
424	N	39.6	Very low	35.4	Very low	125 Å²	125	155.6 Å²	155.6	67%	0.668	80%	0.795	S	S	*	*			trans	-131.6	134.9	-154.8	-120.3	-13.3	0	0	0	112.5
425	F	33.6	Very low	35.6	Very low	187 Å²	187	156 Å²	156	82%	0.82	79%	0.793	S	S	*	*			trans	67.3	158.5	160.8	-78.3	-119.8	0	0	0	118.7
426	P	38.1	Very low	35.9	Very low	115 Å²	115	156.9 Å²	156.9	75%	0.747	80%	0.801	S	S	*	*			cis	-120.3	156.9	-15.7	26.7	-7.5	0	0	0	114.1
427	L	33.7	Very low	35.7	Very low	167 Å²	167	152.5 Å²	152.5	87%	0.874	79%	0.792	S	S	*	*			trans	-72.5	147.3	164.8	-71.1	151.1	0	0	0	110.8
428	Q	37	Very low	35.7	Very low	199 Å²	199	151.5 Å²	151.5	93%	0.93	80%	0.796	S	S	*	*			trans	-116.2	146.2	147.2	-82.2	-164	-16.2	0	0	109.4
429	T	35.6	Very low	35.9	Very low	129 Å²	129	146.1 Å²	146.1	79%	0.791	79%	0.788	S	S	*	*			trans	-91.7	147.9	-157.1	47.9	0	0	0	0	113.9
430	S	30.4	Very low	35.8	Very low	109 Å²	109	143.2 Å²	143.2	76%	0.762	79%	0.787	S	S	*	*			trans	-68	141.1	167.8	47.3	0	0	0	0	112.4
431	I	35.1	Very low	36	Very low	149 Å²	149	143.8 Å²	143.8	76%	0.764	80%	0.795	S	S	*	*			trans	-135.2	111.4	151.2	-60.9	-176.6	0	0	0	107.7	M433	I431-M433 HydrophobicContact CG2-CG 4.22Å
432	F	32.8	Very low	36	Very low	181 Å²	181	149.4 Å²	149.4	79%	0.794	80%	0.8	S	S	*	*			trans	-84.8	128.7	160.4	-99.9	-94.7	0	0	0	108.3
433	M	36.1	Very low	36.3	Very low	154 Å²	154	148 Å²	148	76%	0.759	81%	0.807	S	S	*	*			trans	-143.1	104.6	159.8	-84.8	-61.2	151	0	0	110.4	I431	I431-M433 HydrophobicContact CG2-CG 4.22Å
434	N	32.9	Very low	36.5	Very low	159 Å²	159	142.2 Å²	142.2	85%	0.85	80%	0.802	S	S	*	*			trans	-95.4	112.1	159	-86.5	-25.2	0	0	0	107.4
435	T	36.3	Very low	36.6	Very low	118 Å²	118	144.7 Å²	144.7	72%	0.724	81%	0.814	S	S	*	*			trans	-133.5	133.6	174.9	-48.9	0	0	0	0	110.1
436	I	37.8	Very low	37.2	Very low	178 Å²	178	140.9 Å²	140.9	91%	0.913	81%	0.808	S	S	*	*			trans	-104.2	131.7	-179.9	-58.8	170.1	0	0	0	108.3
437	G	36.4	Very low	38	Very low	61 Å²	61	149 Å²	149	63%	0.629	83%	0.832	S	S	*	*			trans	143.1	113.7	179.2	0	0	0	0	0	109.4
438	S	35.9	Very low	38.2	Very low	112 Å²	112	148.1 Å²	148.1	78%	0.783	83%	0.83	S	S	*	*				81.1	133.8	59.6	-66.3	0	0	0	0	112.5
439	T	37.5	Very low	38.3	Very low	132 Å²	132	145.4 Å²	145.4	81%	0.81	83%	0.825	S	S	*	*			trans	61.5	105.7	-174.1	66.2	0	0	0	0	113.9
440	S	37.8	Very low	38.4	Very low	106 Å²	106	146.3 Å²	146.3	74%	0.741	83%	0.826	S	S	*	*				68.5	104.9	66.1	77.6	0	0	0	0	114.4
441	L	37.7	Very low	38.9	Very low	178 Å²	178	148.5 Å²	148.5	93%	0.932	83%	0.83	S	S	*	*			trans	-164.7	156.9	135.3	-106.3	166.6	0	0	0	109.8
442	Q	37	Very low	39.1	Very low	192 Å²	192	148.4 Å²	148.4	90%	0.897	83%	0.834	S	S	*	*			trans	-104.1	139.5	178	-63.2	168.2	-88.3	0	0	110
443	S	43	Very low	39.5	Very low	121 Å²	121	146.3 Å²	146.3	85%	0.846	84%	0.837	S	S	*	*			trans	-150.9	112.1	157.4	59.1	0	0	0	0	110.3
444	S	42.8	Very low	39.8	Very low	114 Å²	114	145.7 Å²	145.7	80%	0.797	84%	0.843	S	S	*	*			trans	-79.7	149.1	172.5	52.4	0	0	0	0	111.8
445	L	40.3	Very low	40.3	Very low	177 Å²	177	144.7 Å²	144.7	93%	0.927	84%	0.842	S	S	*	*			trans	-162.6	149.4	138.3	-99.6	152.7	0	0	0	108.5
446	P	47.9	Very low	40.7	Very low	108 Å²	108	146.9 Å²	146.9	70%	0.701	85%	0.852	S	S	*	*			trans	-105.5	164.8	-169.1	39.8	-33.7	0	0	0	114.2
447	F	53.8	Low	40.9	Very low	284 Å²	284	144.1 Å²	144.1	100%	1.246	85%	0.846	S	S	*	*			trans	-149.2	0	146.2	-118.3	-76.7	0	0	0	109.2

Retrieved 447 of 447 residues in 640 ms (Link to these results)

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