A0A077ZF91_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZF91, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 517 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.3	Very low	30.7	Very low	241 Å²	241	170.5 Å²	170.5	100%	1.187	83%	0.829	S	S	*	*				0	134.6	0	-60.3	169.1	-177.4	0	0	106.4
2	I	33.1	Very low	30.8	Very low	172 Å²	172	169.3 Å²	169.3	88%	0.882	83%	0.829	S	S	*	*	P	Polyproline II helix	cis	-99.9	163.4	3.1	-69.4	168.7	0	0	0	110.2
3	K	28.2	Very low	31	Very low	188 Å²	188	170.7 Å²	170.7	82%	0.817	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-75.2	160	-178.2	-72	-178.1	174.8	-179.9	0	112.5
4	M	25.3	Very low	31.3	Very low	178 Å²	178	166.6 Å²	166.6	88%	0.877	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-51.2	138.5	154.6	-65.5	157.4	59.6	0	0	110.1
5	V	30.7	Very low	31.7	Very low	142 Å²	142	167.5 Å²	167.5	86%	0.861	82%	0.824	S	S	*	*			trans	-112.7	127.7	160.2	177.3	0	0	0	0	106.4
6	D	30.4	Very low	31.8	Very low	87 Å²	87	167.7 Å²	167.7	47%	0.465	83%	0.829	S	S	.	*			trans	-77	126	-166.7	-159	-32.7	0	0	0	111.5	R8 F9	D6-R8 PolarHBondContact O-N 3.08Å; D6-R8 WeakPolarHBondContact OD1-CB 3.33Å; D6-R8 WeakPolarHBondContact OD1-CD 3.39Å; D6-R8 WeakPolarHBondContact OD1-CG 3.17Å; D6-R8 PolarHBondContact OD1-N 3.45Å; D6-R8 VanDerWaalsContact OD1-N 3.08Å; D6-R8 IonicContact OD1-NE 3.16Å; D6-F9 PolarHBondContact O-N 2.98Å
7	S	31	Very low	31.8	Very low	114 Å²	114	162.8 Å²	162.8	80%	0.797	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-71.1	-4.1	178.9	50.4	0	0	0	0	113.6	F9	S7-F9 VanDerWaalsContact C-N 3.33Å
8	R	33.3	Very low	31.8	Very low	195 Å²	195	167.2 Å²	167.2	74%	0.736	83%	0.827	S	S	*	*	G	3₁₀ helix	trans	-71.6	-22.4	174.8	-65.7	167.6	-169.7	-149.2	-2.3	113.8	D6 L10	D6-R8 PolarHBondContact O-N 3.08Å; D6-R8 WeakPolarHBondContact OD1-CB 3.33Å; D6-R8 WeakPolarHBondContact OD1-CD 3.39Å; D6-R8 WeakPolarHBondContact OD1-CG 3.17Å; D6-R8 PolarHBondContact OD1-N 3.45Å; D6-R8 VanDerWaalsContact OD1-N 3.08Å; D6-R8 IonicContact OD1-NE 3.16Å; R8-L10 PolarHBondContact O-N 3.17Å
9	F	32	Very low	31.9	Very low	192 Å²	192	162.2 Å²	162.2	84%	0.842	81%	0.814	S	S	*	*	G	3₁₀ helix	trans	-77.2	11	-171.1	-120.8	-82.6	0	0	0	116.2	D6 S7	D6-F9 PolarHBondContact O-N 2.98Å; S7-F9 VanDerWaalsContact C-N 3.33Å
10	L	31.9	Very low	31.9	Very low	165 Å²	165	166.6 Å²	166.6	86%	0.864	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-123.8	8.1	-178.3	-85.3	169.2	0	0	0	114.6	R8	R8-L10 PolarHBondContact O-N 3.17Å
11	Y	32.7	Very low	32.1	Very low	202 Å²	202	165.4 Å²	165.4	79%	0.792	82%	0.816	S	S	*	*	S	Bend	trans	-112	-11.4	-176.6	-132.7	-96.3	0	0	0	115.4
12	D	32	Very low	32.1	Very low	155 Å²	155	158.7 Å²	158.7	83%	0.829	79%	0.791	S	S	*	*	S	Bend	trans	-99.7	15.8	-168.5	-92.7	-24.2	0	0	0	115.9
13	H	33.3	Very low	32.4	Very low	188 Å²	188	162.5 Å²	162.5	87%	0.87	79%	0.794	S	S	*	*	S	Bend	trans	-129	19.3	-174	-97.8	-33.3	0	0	0	116.3
14	T	35	Very low	32.9	Very low	113 Å²	113	158.3 Å²	158.3	69%	0.693	79%	0.788	S	S	*	*	S	Bend	trans	-124	-0.6	-177.4	49.2	0	0	0	0	116.1
15	Q	36.5	Very low	33.5	Very low	180 Å²	180	159.1 Å²	159.1	84%	0.841	78%	0.782	S	S	*	*	S	Bend	trans	-80.6	-32.7	177.2	-66.1	-156	1.2	0	0	114.4	A17	Q15-A17 PolarHBondContact O-N 3.07Å
16	D	33.5	Very low	33.7	Very low	171 Å²	171	160.7 Å²	160.7	91%	0.914	78%	0.777	S	S	*	*	S	Bend	trans	-84.2	-3.9	-176.6	-84.3	-41.3	0	0	0	115.6	R18	D16-R18 PolarHBondContact O-N 3.05Å
17	A	32.7	Very low	33.7	Very low	84 Å²	84	158.5 Å²	158.5	69%	0.694	78%	0.775	S	S	*	*			trans	-80.3	28.3	-175.7	0	0	0	0	0	114.5	Q15 A19	Q15-A17 PolarHBondContact O-N 3.07Å; A17-A19 PolarHBondContact O-N 3.48Å
18	R	31.4	Very low	33.9	Very low	243 Å²	243	156.2 Å²	156.2	92%	0.917	76%	0.763	S	S	*	*			trans	-76.7	28.6	-178.8	-88.8	-172.2	170.7	-172.1	-0.3	114.6	D16	D16-R18 PolarHBondContact O-N 3.05Å
19	A	33.8	Very low	33.8	Very low	72 Å²	72	152.5 Å²	152.5	60%	0.595	76%	0.757	S	S	*	*	S	Bend	trans	-150.8	109.7	177.1	0	0	0	0	0	114.9	A17	A17-A19 PolarHBondContact O-N 3.48Å
20	R	31	Very low	33.9	Very low	250 Å²	250	148 Å²	148	94%	0.943	74%	0.741	S	S	*	*			trans	65	-162.4	160.1	-50.7	177.6	-177	-176.4	0	114.1
21	I	36.3	Very low	34	Very low	141 Å²	141	145.8 Å²	145.8	72%	0.723	73%	0.726	S	S	*	*			trans	80.6	138.3	-175.6	-57.9	176	0	0	0	114.5
22	P	30.9	Very low	33.7	Very low	101 Å²	101	138.2 Å²	138.2	66%	0.656	71%	0.709	S	S	*	*			trans	-97.8	179.3	-146.3	-8.2	29.6	0	0	0	118.3	S24	P22-S24 PolarHBondContact O-N 3.02Å
23	R	37.8	Very low	33.5	Very low	251 Å²	251	137 Å²	137	95%	0.947	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-60.6	1.2	-172.2	-69	179.5	171.5	169.7	-3.2	117.6
24	S	39.6	Very low	33.3	Very low	100 Å²	100	134.1 Å²	134.1	70%	0.699	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-79.5	-18.7	-174	52.2	0	0	0	0	115.3	P22 K26	P22-S24 PolarHBondContact O-N 3.02Å; S24-K26 VanDerWaalsContact C-N 3.33Å; S24-K26 PolarHBondContact O-N 3.34Å
25	R	37.3	Very low	33.2	Very low	195 Å²	195	133.4 Å²	133.4	74%	0.736	68%	0.678	S	S	*	*	G	3₁₀ helix	trans	-77.4	-0.4	-171.9	-78.9	-173.2	170.7	-176.8	-2.5	117	G27	R25-G27 PolarHBondContact O-N 2.93Å
26	K	34.8	Very low	32.7	Very low	176 Å²	176	126.2 Å²	126.2	77%	0.765	65%	0.652	S	S	*	*	H	α-helix	trans	-68.7	-29.3	177.6	-103.6	-171.1	175.3	-173.8	0	114	S24 I30	S24-K26 VanDerWaalsContact C-N 3.33Å; S24-K26 PolarHBondContact O-N 3.34Å; K26-I30 WeakPolarHBondContact O-CD1 3.49Å; K26-I30 WeakPolarHBondContact O-CG1 3.44Å
27	G	32	Very low	32.5	Very low	40 Å²	40	122.4 Å²	122.4	41%	0.412	64%	0.635	S	S	.	*	H	α-helix	trans	-67	-58.4	178.6	0	0	0	0	0	112.7	R25 L29 I30 E31	R25-G27 PolarHBondContact O-N 2.93Å; G27-L29 PolarHBondContact O-N 2.95Å; G27-L29 VanDerWaalsContact O-N 3.09Å; G27-I30 WeakPolarHBondContact O-CA 3.39Å; G27-I30 WeakPolarHBondContact O-CB 3.21Å; G27-I30 PolarHBondContact O-N 2.79Å; G27-E31 PolarHBondContact O-N 2.94Å
28	A	34.7	Very low	32.3	Very low	66 Å²	66	121.1 Å²	121.1	55%	0.545	62%	0.624	S	S	.	*	H	α-helix	trans	-58	-28.7	-176.9	0	0	0	0	0	114.2	G32	A28-G32 PolarHBondContact O-N 3.12Å
29	L	31.4	Very low	32.2	Very low	117 Å²	117	116.3 Å²	116.3	61%	0.613	61%	0.61	S	S	*	*	H	α-helix	trans	-75.5	-34.1	176.9	-139.2	157	0	0	0	111.6	G27 M33	G27-L29 PolarHBondContact O-N 2.95Å; G27-L29 VanDerWaalsContact O-N 3.09Å; L29-M33 HydrophobicContact CD2-CG 4.39Å; L29-M33 HydrophobicContact CD2-SD 4.11Å; L29-M33 VanDerWaalsContact O-CG 3.3Å; L29-M33 WeakPolarHBondContact O-CG 3.4Å; L29-M33 PolarHBondContact O-N 3.48Å
30	I	33.1	Very low	32	Very low	98 Å²	98	118.3 Å²	118.3	50%	0.503	61%	0.61	S	S	.	*	H	α-helix	trans	-70.4	-44.6	172.5	-68.6	165.4	0	0	0	110.6	K26 G27 G32 M33 Q34	K26-I30 WeakPolarHBondContact O-CD1 3.49Å; K26-I30 WeakPolarHBondContact O-CG1 3.44Å; G27-I30 WeakPolarHBondContact O-CA 3.39Å; G27-I30 WeakPolarHBondContact O-CB 3.21Å; G27-I30 PolarHBondContact O-N 2.79Å; I30-G32 PolarHBondContact O-N 2.94Å; I30-M33 PolarHBondContact O-N 3.28Å; I30-Q34 WeakPolarHBondContact O-CG 3.17Å; I30-Q34 PolarHBondContact O-N 2.93Å
31	E	33.5	Very low	31.9	Very low	119 Å²	119	110 Å²	110	56%	0.556	59%	0.587	S	S	*	*	H	α-helix	trans	-61.4	-43.8	175	-68.2	179.3	129.3	0	0	111.6	G27 M33 Q34 I35	G27-E31 PolarHBondContact O-N 2.94Å; E31-M33 VanDerWaalsContact C-N 3.34Å; E31-M33 PolarHBondContact O-N 2.69Å; E31-Q34 PolarHBondContact O-N 2.77Å; E31-I35 WeakPolarHBondContact O-CB 3.31Å; E31-I35 VanDerWaalsContact O-CG1 3.31Å; E31-I35 WeakPolarHBondContact O-CG1 3.31Å; E31-I35 PolarHBondContact O-N 3.21Å
32	G	27	Very low	31.8	Very low	42 Å²	42	106.1 Å²	106.1	43%	0.433	57%	0.567	S	S	.	*	H	α-helix	trans	-58.6	-42.2	174.5	0	0	0	0	0	113	A28 I30 G36	A28-G32 PolarHBondContact O-N 3.12Å; I30-G32 PolarHBondContact O-N 2.94Å; G32-G36 PolarHBondContact O-N 3.41Å
33	M	27.6	Very low	31.9	Very low	129 Å²	129	105.6 Å²	105.6	64%	0.635	56%	0.559	S	S	*	*	H	α-helix	trans	-69.5	-38	174.8	-70.5	-177.5	89.1	0	0	112.6	L29 I30 E31 G36 V37	L29-M33 HydrophobicContact CD2-CG 4.39Å; L29-M33 HydrophobicContact CD2-SD 4.11Å; L29-M33 VanDerWaalsContact O-CG 3.3Å; L29-M33 WeakPolarHBondContact O-CG 3.4Å; L29-M33 PolarHBondContact O-N 3.48Å; I30-M33 PolarHBondContact O-N 3.28Å; E31-M33 VanDerWaalsContact C-N 3.34Å; E31-M33 PolarHBondContact O-N 2.69Å; M33-G36 PolarHBondContact O-N 3.48Å; M33-V37 WeakPolarHBondContact O-CG2 3.47Å; M33-V37 PolarHBondContact O-N 3.29Å
34	Q	28.7	Very low	31.4	Very low	128 Å²	128	97.6 Å²	97.6	60%	0.598	53%	0.531	S	S	*	.	H	α-helix	trans	-65	-42.8	175.3	-74.8	-179.4	-4.8	0	0	112	I30 E31 G36 V37 A38	I30-Q34 WeakPolarHBondContact O-CG 3.17Å; I30-Q34 PolarHBondContact O-N 2.93Å; E31-Q34 PolarHBondContact O-N 2.77Å; Q34-G36 VanDerWaalsContact C-N 3.31Å; Q34-G36 PolarHBondContact O-N 3.09Å; Q34-V37 PolarHBondContact O-N 2.77Å; Q34-A38 VanDerWaalsContact O-CB 3.29Å; Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 3.5Å
35	I	33.6	Very low	31	Very low	98 Å²	98	96.1 Å²	96.1	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-64.5	-37.7	173.8	-66.5	164.8	0	0	0	110.7	E31 K39	E31-I35 WeakPolarHBondContact O-CB 3.31Å; E31-I35 VanDerWaalsContact O-CG1 3.31Å; E31-I35 WeakPolarHBondContact O-CG1 3.31Å; E31-I35 PolarHBondContact O-N 3.21Å; I35-K39 HydrophobicContact CG2-CD 4.26Å; I35-K39 WeakPolarHBondContact O-CB 3.41Å; I35-K39 WeakPolarHBondContact O-CG 3.41Å; I35-K39 PolarHBondContact O-N 3.11Å
36	G	26.1	Very low	30.9	Very low	29 Å²	29	93.3 Å²	93.3	30%	0.299	50%	0.504	S	S	.	.	H	α-helix	trans	-61.8	-50	173.7	0	0	0	0	0	112.7	G32 M33 Q34 K39 L40	G32-G36 PolarHBondContact O-N 3.41Å; M33-G36 PolarHBondContact O-N 3.48Å; Q34-G36 VanDerWaalsContact C-N 3.31Å; Q34-G36 PolarHBondContact O-N 3.09Å; G36-K39 PolarHBondContact O-N 3.26Å; G36-L40 WeakPolarHBondContact O-CB 3.46Å; G36-L40 PolarHBondContact O-N 3.03Å
37	V	30	Very low	30.8	Very low	92 Å²	92	90 Å²	90	56%	0.558	49%	0.491	S	S	*	.	H	α-helix	trans	-65.2	-38.3	177.8	171.2	0	0	0	0	111.7	M33 Q34 L40 T41	M33-V37 WeakPolarHBondContact O-CG2 3.47Å; M33-V37 PolarHBondContact O-N 3.29Å; Q34-V37 PolarHBondContact O-N 2.77Å; V37-L40 PolarHBondContact O-N 3.47Å; V37-T41 WeakPolarHBondContact O-CB 3.43Å; V37-T41 PolarHBondContact O-N 3.27Å; V37-T41 PolarHBondContact O-OG1 2.86Å
38	A	27.9	Very low	30.7	Very low	56 Å²	56	92.1 Å²	92.1	46%	0.463	49%	0.49	S	S	.	.	H	α-helix	trans	-63.9	-42.4	174.4	0	0	0	0	0	112.1	Q34 T41 D42	Q34-A38 VanDerWaalsContact O-CB 3.29Å; Q34-A38 WeakPolarHBondContact O-CB 3.45Å; Q34-A38 PolarHBondContact O-N 3.5Å; A38-T41 WeakPolarHBondContact CA-OG1 3.43Å; A38-T41 PolarHBondContact O-OG1 3.24Å; A38-D42 WeakPolarHBondContact O-CB 3.39Å; A38-D42 PolarHBondContact O-N 3.23Å
39	K	30.3	Very low	30.5	Very low	143 Å²	143	91.6 Å²	91.6	62%	0.622	48%	0.475	S	S	*	.	H	α-helix	trans	-69	-38.1	175.3	-75.7	177.9	177.8	178.6	0	112.6	I35 G36 L43	I35-K39 HydrophobicContact CG2-CD 4.26Å; I35-K39 WeakPolarHBondContact O-CB 3.41Å; I35-K39 WeakPolarHBondContact O-CG 3.41Å; I35-K39 PolarHBondContact O-N 3.11Å; G36-K39 PolarHBondContact O-N 3.26Å; K39-L43 WeakPolarHBondContact O-CB 3.49Å; K39-L43 PolarHBondContact O-N 3.15Å
40	L	28.6	Very low	30.6	Very low	113 Å²	113	89.4 Å²	89.4	59%	0.592	46%	0.464	S	S	*	.	H	α-helix	trans	-66.3	-42.4	175.2	-86.3	163.4	0	0	0	112	G36 V37 L43 F44	G36-L40 WeakPolarHBondContact O-CB 3.46Å; G36-L40 PolarHBondContact O-N 3.03Å; V37-L40 PolarHBondContact O-N 3.47Å; L40-L43 PolarHBondContact O-N 2.64Å; L40-F44 WeakPolarHBondContact O-CB 3.41Å; L40-F44 PolarHBondContact O-N 3.39Å
41	T	29.5	Very low	30.5	Very low	76 Å²	76	87 Å²	87	47%	0.466	45%	0.453	S	S	.	.	H	α-helix	trans	-68.7	-36.6	175.4	42.5	0	0	0	0	112.2	V37 A38 L43 F44 L45	V37-T41 WeakPolarHBondContact O-CB 3.43Å; V37-T41 PolarHBondContact O-N 3.27Å; V37-T41 PolarHBondContact O-OG1 2.86Å; A38-T41 WeakPolarHBondContact CA-OG1 3.43Å; A38-T41 PolarHBondContact O-OG1 3.24Å; T41-L43 VanDerWaalsContact C-N 3.35Å; T41-F44 PolarHBondContact O-N 2.82Å; T41-L45 VanDerWaalsContact O-CB 3.27Å; T41-L45 WeakPolarHBondContact O-CB 3.13Å; T41-L45 WeakPolarHBondContact O-CG 3.41Å; T41-L45 PolarHBondContact O-N 3.42Å
42	D	33.9	Very low	30.3	Very low	59 Å²	59	86.1 Å²	86.1	32%	0.316	45%	0.452	S	S	.	.	H	α-helix	trans	-67.8	-33.1	173	-162.9	64.8	0	0	0	112.3	A38 R46	A38-D42 WeakPolarHBondContact O-CB 3.39Å; A38-D42 PolarHBondContact O-N 3.23Å; D42-R46 WeakPolarHBondContact O-CB 3.49Å; D42-R46 WeakPolarHBondContact O-CD 3.45Å; D42-R46 WeakPolarHBondContact O-CG 3.4Å; D42-R46 PolarHBondContact O-N 2.93Å; D42-R46 IonicContact OD2-CZ 3.77Å; D42-R46 IonicContact OD2-NE 2.69Å; D42-R46 PolarHBondContact OD2-NE 3.48Å; D42-R46 IonicContact OD2-NH2 3.15Å; D42-R46 PolarHBondContact OD2-NH2 3.02Å
43	L	31.7	Very low	30.5	Very low	91 Å²	91	86.4 Å²	86.4	48%	0.476	45%	0.447	S	S	.	.	H	α-helix	trans	-67.9	-44.1	169.9	-89.5	162.3	0	0	0	113	K39 L40 T41 R46 H47	K39-L43 WeakPolarHBondContact O-CB 3.49Å; K39-L43 PolarHBondContact O-N 3.15Å; L40-L43 PolarHBondContact O-N 2.64Å; T41-L43 VanDerWaalsContact C-N 3.35Å; L43-R46 PolarHBondContact O-N 3.4Å; L43-H47 PolarHBondContact O-N 2.93Å
44	F	28.2	Very low	30.6	Very low	82 Å²	82	86 Å²	86	36%	0.36	45%	0.447	S	S	.	.	H	α-helix	trans	-64.4	-42.4	177.3	-128.6	-92.3	0	0	0	111.3	L40 T41 H47 Q48 N514	L40-F44 WeakPolarHBondContact O-CB 3.41Å; L40-F44 PolarHBondContact O-N 3.39Å; T41-F44 PolarHBondContact O-N 2.82Å; F44-H47 PolarHBondContact O-N 3Å; F44-Q48 WeakPolarHBondContact O-CB 3.44Å; F44-Q48 PolarHBondContact O-N 3.39Å; F44-N514 HydrophobicContact CZ-CB 4.19Å; F44-N514 WeakPolarHBondContact CZ-OD1 3.29Å
45	L	32.2	Very low	30.6	Very low	70 Å²	70	85.8 Å²	85.8	37%	0.366	44%	0.444	S	S	.	.	H	α-helix	trans	-62.2	-44.5	172.2	-74.2	168.4	0	0	0	111	T41 H47 Q48 Y49	T41-L45 VanDerWaalsContact O-CB 3.27Å; T41-L45 WeakPolarHBondContact O-CB 3.13Å; T41-L45 WeakPolarHBondContact O-CG 3.41Å; T41-L45 PolarHBondContact O-N 3.42Å; L45-H47 PolarHBondContact O-N 3.07Å; L45-Q48 PolarHBondContact O-N 2.85Å; L45-Y49 WeakPolarHBondContact O-CB 3.35Å; L45-Y49 VanDerWaalsContact O-CD2 3.26Å; L45-Y49 WeakPolarHBondContact O-CD2 3.3Å; L45-Y49 PolarHBondContact O-N 3.39Å
46	R	33.9	Very low	30.5	Very low	136 Å²	136	83.4 Å²	83.4	51%	0.513	43%	0.434	S	S	.	.	H	α-helix	trans	-57.1	-51	174.8	-76.1	164.5	-164.1	-126.8	5.6	111.5	D42 L43 Q48 Y49 D50	D42-R46 WeakPolarHBondContact O-CB 3.49Å; D42-R46 WeakPolarHBondContact O-CD 3.45Å; D42-R46 WeakPolarHBondContact O-CG 3.4Å; D42-R46 PolarHBondContact O-N 2.93Å; D42-R46 IonicContact OD2-CZ 3.77Å; D42-R46 IonicContact OD2-NE 2.69Å; D42-R46 PolarHBondContact OD2-NE 3.48Å; D42-R46 IonicContact OD2-NH2 3.15Å; D42-R46 PolarHBondContact OD2-NH2 3.02Å; L43-R46 PolarHBondContact O-N 3.4Å; R46-Q48 PolarHBondContact O-N 3.5Å; R46-Y49 CarbonylContact O-C 3.49Å; R46-Y49 PolarHBondContact O-N 2.79Å; R46-D50 WeakPolarHBondContact O-CB 3.12Å; R46-D50 PolarHBondContact O-N 3.18Å
47	H	33.4	Very low	30.7	Very low	106 Å²	106	84.9 Å²	84.9	49%	0.491	44%	0.435	S	S	.	.	H	α-helix	trans	-63.8	-41.4	179.6	-77.6	-46.3	0	0	0	113.3	L43 F44 L45 Y49 D50 V51	L43-H47 PolarHBondContact O-N 2.93Å; F44-H47 PolarHBondContact O-N 3Å; L45-H47 PolarHBondContact O-N 3.07Å; H47-Y49 PolarHBondContact O-N 3.26Å; H47-D50 PolarHBondContact O-N 2.95Å; H47-V51 WeakPolarHBondContact O-CG2 3.48Å; H47-V51 PolarHBondContact O-N 3.42Å
48	Q	29.6	Very low	30.6	Very low	84 Å²	84	88.6 Å²	88.6	39%	0.393	44%	0.444	S	S	.	.	H	α-helix	trans	-64	-39.4	172.8	-74.7	-174.9	-22.7	0	0	112.2	F44 L45 R46 D50 I52	F44-Q48 WeakPolarHBondContact O-CB 3.44Å; F44-Q48 PolarHBondContact O-N 3.39Å; L45-Q48 PolarHBondContact O-N 2.85Å; R46-Q48 PolarHBondContact O-N 3.5Å; Q48-D50 VanDerWaalsContact C-N 3.34Å; Q48-I52 VanDerWaalsContact O-CB 3.28Å; Q48-I52 WeakPolarHBondContact O-CB 3.38Å; Q48-I52 WeakPolarHBondContact O-CD1 3.26Å; Q48-I52 WeakPolarHBondContact O-CG1 3.1Å; Q48-I52 PolarHBondContact O-N 2.85Å
49	Y	29.7	Very low	30.6	Very low	55 Å²	55	90.8 Å²	90.8	22%	0.216	45%	0.446	C	S	.	.	H	α-helix	trans	-66.4	-33.9	173.2	-93	-98.5	0	0	0	112.6	L45 R46 H47 S53 V432 R433	L45-Y49 WeakPolarHBondContact O-CB 3.35Å; L45-Y49 VanDerWaalsContact O-CD2 3.26Å; L45-Y49 WeakPolarHBondContact O-CD2 3.3Å; L45-Y49 PolarHBondContact O-N 3.39Å; R46-Y49 CarbonylContact O-C 3.49Å; R46-Y49 PolarHBondContact O-N 2.79Å; H47-Y49 PolarHBondContact O-N 3.26Å; Y49-S53 WeakPolarHBondContact O-CA 3.3Å; Y49-S53 WeakPolarHBondContact O-CB 3.4Å; Y49-S53 PolarHBondContact O-N 2.98Å; Y49-V432 HydrophobicContact CE1-CG1 4.25Å; Y49-R433 PolarHBondContact OH-N 3.33Å
50	D	33.9	Very low	30.5	Very low	71 Å²	71	89.1 Å²	89.1	38%	0.38	44%	0.439	S	S	.	.	H	α-helix	trans	-75.5	-37.5	179.5	-65.2	-22.1	0	0	0	111	R46 H47 Q48 S53 L54	R46-D50 WeakPolarHBondContact O-CB 3.12Å; R46-D50 PolarHBondContact O-N 3.18Å; H47-D50 PolarHBondContact O-N 2.95Å; Q48-D50 VanDerWaalsContact C-N 3.34Å; D50-S53 PolarHBondContact O-N 2.9Å; D50-L54 WeakPolarHBondContact O-CB 3.41Å; D50-L54 WeakPolarHBondContact O-CG 3.47Å; D50-L54 PolarHBondContact O-N 2.87Å
51	V	30.5	Very low	30.3	Very low	47 Å²	47	90.4 Å²	90.4	29%	0.285	44%	0.44	S	S	.	.	H	α-helix	trans	-67.1	-46	171.1	175.9	0	0	0	0	111.2	H47 S53 L54 F55 Q517	H47-V51 WeakPolarHBondContact O-CG2 3.48Å; H47-V51 PolarHBondContact O-N 3.42Å; V51-S53 VanDerWaalsContact C-N 3.3Å; V51-S53 PolarHBondContact O-N 3.31Å; V51-L54 WeakPolarHBondContact O-CB 3.06Å; V51-L54 PolarHBondContact O-N 2.98Å; V51-F55 WeakPolarHBondContact O-CB 3.28Å; V51-F55 PolarHBondContact O-N 3.16Å; V51-Q517 WeakPolarHBondContact CG1-OXT 3.32Å
52	I	31	Very low	30.1	Very low	102 Å²	102	96 Å²	96	52%	0.523	46%	0.457	S	S	.	.	H	α-helix	trans	-62.2	-39.2	174.1	-69.1	166.3	0	0	0	110.6	Q48 F55 V56	Q48-I52 VanDerWaalsContact O-CB 3.28Å; Q48-I52 WeakPolarHBondContact O-CB 3.38Å; Q48-I52 WeakPolarHBondContact O-CD1 3.26Å; Q48-I52 WeakPolarHBondContact O-CG1 3.1Å; Q48-I52 PolarHBondContact O-N 2.85Å; I52-F55 PolarHBondContact O-N 2.74Å; I52-V56 HydrophobicContact CG2-CG2 4.33Å; I52-V56 WeakPolarHBondContact O-CB 3.23Å; I52-V56 VanDerWaalsContact O-CG2 3.28Å; I52-V56 WeakPolarHBondContact O-CG2 3.38Å; I52-V56 PolarHBondContact O-N 3.4Å
53	S	30.7	Very low	29.6	Very low	48 Å²	48	98 Å²	98	34%	0.336	47%	0.474	S	S	.	.	H	α-helix	trans	-68	-35.1	176.2	-169.1	0	0	0	0	112.1	Y49 D50 V51 D57	Y49-S53 WeakPolarHBondContact O-CA 3.3Å; Y49-S53 WeakPolarHBondContact O-CB 3.4Å; Y49-S53 PolarHBondContact O-N 2.98Å; D50-S53 PolarHBondContact O-N 2.9Å; V51-S53 VanDerWaalsContact C-N 3.3Å; V51-S53 PolarHBondContact O-N 3.31Å; S53-D57 VanDerWaalsContact O-CB 3.23Å; S53-D57 WeakPolarHBondContact O-CB 3.18Å; S53-D57 PolarHBondContact O-N 2.87Å
54	L	30.1	Very low	29.3	Very low	120 Å²	120	99.7 Å²	99.7	63%	0.628	49%	0.493	S	S	*	.	H	α-helix	trans	-66.3	-42.2	171.6	-81.8	163.9	0	0	0	111.3	D50 V51 D57 F58	D50-L54 WeakPolarHBondContact O-CB 3.41Å; D50-L54 WeakPolarHBondContact O-CG 3.47Å; D50-L54 PolarHBondContact O-N 2.87Å; V51-L54 WeakPolarHBondContact O-CB 3.06Å; V51-L54 PolarHBondContact O-N 2.98Å; L54-D57 PolarHBondContact O-N 2.87Å; L54-F58 VanDerWaalsContact O-CB 3.26Å; L54-F58 WeakPolarHBondContact O-CB 3.49Å; L54-F58 PolarHBondContact O-N 2.94Å
55	F	28.8	Very low	29.1	Very low	124 Å²	124	101.2 Å²	101.2	54%	0.544	51%	0.509	S	S	.	.	H	α-helix	trans	-67	-40.8	178.2	-149.1	-86.4	0	0	0	111.6	V51 I52 F58 M59	V51-F55 WeakPolarHBondContact O-CB 3.28Å; V51-F55 PolarHBondContact O-N 3.16Å; I52-F55 PolarHBondContact O-N 2.74Å; F55-F58 PolarHBondContact O-N 2.87Å; F55-M59 HydrophobicContact CD1-CG 4.14Å; F55-M59 HydrophobicContact CE1-CG 4.3Å; F55-M59 WeakPolarHBondContact O-CB 3.37Å; F55-M59 WeakPolarHBondContact O-CG 3.26Å; F55-M59 PolarHBondContact O-N 3.49Å
56	V	30.1	Very low	28.7	Very low	48 Å²	48	103.3 Å²	103.3	29%	0.291	53%	0.527	S	S	.	.	H	α-helix	trans	-68	-42.7	173.3	170	0	0	0	0	111.1	I52 F58 M59 F60 W449	I52-V56 HydrophobicContact CG2-CG2 4.33Å; I52-V56 WeakPolarHBondContact O-CB 3.23Å; I52-V56 VanDerWaalsContact O-CG2 3.28Å; I52-V56 WeakPolarHBondContact O-CG2 3.38Å; I52-V56 PolarHBondContact O-N 3.4Å; V56-F58 VanDerWaalsContact C-N 3.34Å; V56-F58 PolarHBondContact O-N 2.99Å; V56-M59 PolarHBondContact O-N 3.44Å; V56-F60 HydrophobicContact CG1-CD2 3.97Å; V56-F60 VanDerWaalsContact O-CB 3.3Å; V56-F60 WeakPolarHBondContact O-CB 3.42Å; V56-F60 WeakPolarHBondContact O-CD2 3.42Å; V56-F60 PolarHBondContact O-N 2.86Å; V56-W449 HydrophobicContact CG1-CH2 4.14Å
57	D	30.4	Very low	28.1	Very low	60 Å²	60	101.6 Å²	101.6	32%	0.321	54%	0.542	S	S	.	.	H	α-helix	trans	-61	-42.2	173.4	-101.3	-8.7	0	0	0	111.6	S53 L54 M59 F60 K61	S53-D57 VanDerWaalsContact O-CB 3.23Å; S53-D57 WeakPolarHBondContact O-CB 3.18Å; S53-D57 PolarHBondContact O-N 2.87Å; L54-D57 PolarHBondContact O-N 2.87Å; D57-M59 VanDerWaalsContact C-N 3.34Å; D57-M59 PolarHBondContact O-N 3.06Å; D57-F60 PolarHBondContact O-N 3.26Å; D57-K61 HydrophobicContact CB-CD 3.93Å; D57-K61 HydrophobicContact CB-CG 4.22Å; D57-K61 VanDerWaalsContact CG-NZ 3.3Å; D57-K61 WeakPolarHBondContact O-CB 3.35Å; D57-K61 VanDerWaalsContact O-CG 3.31Å; D57-K61 WeakPolarHBondContact O-CG 3.5Å; D57-K61 PolarHBondContact O-N 3.47Å; D57-K61 WeakPolarHBondContact OD1-CE 3.48Å; D57-K61 IonicContact OD1-NZ 2.64Å; D57-K61 WeakPolarHBondContact OD2-CE 3.21Å; D57-K61 IonicContact OD2-NZ 2.77Å; D57-K61 PolarHBondContact OD2-NZ 2.82Å
58	F	28.7	Very low	27.6	Very low	170 Å²	170	104.4 Å²	104.4	75%	0.746	56%	0.557	S	S	*	*	H	α-helix	trans	-65.3	-36.8	178	-169.7	-96.3	0	0	0	112.1	L54 F55 V56	L54-F58 VanDerWaalsContact O-CB 3.26Å; L54-F58 WeakPolarHBondContact O-CB 3.49Å; L54-F58 PolarHBondContact O-N 2.94Å; F55-F58 PolarHBondContact O-N 2.87Å; V56-F58 VanDerWaalsContact C-N 3.34Å; V56-F58 PolarHBondContact O-N 2.99Å
59	M	26.6	Very low	27.3	Very low	101 Å²	101	106.3 Å²	106.3	50%	0.498	58%	0.576	S	S	.	*	H	α-helix	trans	-78.8	-30.3	177.8	-71.4	-85.8	-78.7	0	0	113.9	F55 V56 D57	F55-M59 HydrophobicContact CD1-CG 4.14Å; F55-M59 HydrophobicContact CE1-CG 4.3Å; F55-M59 WeakPolarHBondContact O-CB 3.37Å; F55-M59 WeakPolarHBondContact O-CG 3.26Å; F55-M59 PolarHBondContact O-N 3.49Å; V56-M59 PolarHBondContact O-N 3.44Å; D57-M59 VanDerWaalsContact C-N 3.34Å; D57-M59 PolarHBondContact O-N 3.06Å
60	F	29.1	Very low	26.9	Very low	108 Å²	108	107.9 Å²	107.9	47%	0.474	60%	0.601	S	S	.	*	H	α-helix	trans	-126.8	-5.4	-166.2	-64.6	-80.2	0	0	0	116.4	V56 D57 K62	V56-F60 HydrophobicContact CG1-CD2 3.97Å; V56-F60 VanDerWaalsContact O-CB 3.3Å; V56-F60 WeakPolarHBondContact O-CB 3.42Å; V56-F60 WeakPolarHBondContact O-CD2 3.42Å; V56-F60 PolarHBondContact O-N 2.86Å; D57-F60 PolarHBondContact O-N 3.26Å; F60-K62 PolarHBondContact O-N 3.47Å
61	K	25.3	Very low	26.4	Very low	141 Å²	141	110.9 Å²	110.9	61%	0.613	62%	0.622	S	S	*	*			trans	-61.3	108.9	165.9	-85.4	173.5	164.2	153.1	0	109.2	D57	D57-K61 HydrophobicContact CB-CD 3.93Å; D57-K61 HydrophobicContact CB-CG 4.22Å; D57-K61 VanDerWaalsContact CG-NZ 3.3Å; D57-K61 WeakPolarHBondContact O-CB 3.35Å; D57-K61 VanDerWaalsContact O-CG 3.31Å; D57-K61 WeakPolarHBondContact O-CG 3.5Å; D57-K61 PolarHBondContact O-N 3.47Å; D57-K61 WeakPolarHBondContact OD1-CE 3.48Å; D57-K61 IonicContact OD1-NZ 2.64Å; D57-K61 WeakPolarHBondContact OD2-CE 3.21Å; D57-K61 IonicContact OD2-NZ 2.77Å; D57-K61 PolarHBondContact OD2-NZ 2.82Å
62	K	25.1	Very low	26	Very low	192 Å²	192	113.5 Å²	113.5	84%	0.835	65%	0.648	S	S	*	*			trans	-55.2	129.7	163	-69.7	-174.6	175.6	-172.7	0	107.6	F60 S64	F60-K62 PolarHBondContact O-N 3.47Å; K62-S64 PolarHBondContact O-N 3.48Å
63	P	23.8	Very low	25.8	Very low	103 Å²	103	114.8 Å²	114.8	67%	0.669	66%	0.661	S	S	*	*			trans	-59.5	128.2	166.3	26.8	-32.9	0	0	0	107.6	V65	P63-V65 HydrophobicContact CB-CG2 4.07Å; P63-V65 HydrophobicContact CG-CG2 4.27Å; P63-V65 PolarHBondContact O-N 2.96Å
64	S	24.3	Very low	25.5	Very low	125 Å²	125	122.7 Å²	122.7	87%	0.874	69%	0.689	S	S	*	*			trans	-78.5	64.9	-179.9	55.2	0	0	0	0	110.3	K62	K62-S64 PolarHBondContact O-N 3.48Å
65	V	24.3	Very low	25.2	Very low	114 Å²	114	122 Å²	122	69%	0.691	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-74.3	128.3	173.8	-171.5	0	0	0	0	108.1	P63	P63-V65 HydrophobicContact CB-CG2 4.07Å; P63-V65 HydrophobicContact CG-CG2 4.27Å; P63-V65 PolarHBondContact O-N 2.96Å
66	P	23.4	Very low	25.1	Very low	115 Å²	115	120.8 Å²	120.8	75%	0.747	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-64.1	157.8	175.8	27.2	-34.4	0	0	0	111.7
67	A	22.4	Very low	24.9	Very low	100 Å²	100	126.2 Å²	126.2	83%	0.826	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-68	153.8	-177.8	0	0	0	0	0	112.8
68	M	21.9	Very low	24.8	Very low	165 Å²	165	132 Å²	132	81%	0.813	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-62.3	165.8	-179.2	-61.2	-179.7	-77.5	0	0	113.4
69	P	23.5	Very low	24.7	Very low	123 Å²	123	128.3 Å²	128.3	80%	0.799	75%	0.745	S	S	*	*				-107.3	129	119.7	31.4	-32.4	0	0	0	110.5
70	A	21.6	Very low	24.6	Very low	88 Å²	88	128.5 Å²	128.5	73%	0.727	75%	0.754	S	S	*	*			trans	-83.8	135	174.4	0	0	0	0	0	110.3
71	V	23	Very low	24.4	Very low	135 Å²	135	134.5 Å²	134.5	82%	0.818	77%	0.774	S	S	*	*			trans	-129.8	123.7	169.8	-178.5	0	0	0	0	107.9
72	A	21.8	Very low	24.4	Very low	101 Å²	101	132.4 Å²	132.4	84%	0.835	78%	0.777	S	S	*	*			trans	-116.1	118.6	-176.4	0	0	0	0	0	111.1
73	T	26.1	Very low	24.3	Very low	129 Å²	129	130.7 Å²	130.7	79%	0.791	78%	0.777	S	S	*	*			trans	-139.7	154.3	165.4	41.7	0	0	0	0	109.7
74	K	25.2	Very low	24.4	Very low	214 Å²	214	136.4 Å²	136.4	93%	0.93	79%	0.787	S	S	*	*			trans	-129	39.1	-146	-161.2	-177.4	178.1	-176.8	0	113
75	S	24.5	Very low	24.4	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	78%	0.781	S	S	*	*			trans	-149.4	46.2	-151	58.7	0	0	0	0	115.9
76	S	27.1	Very low	24.3	Very low	99 Å²	99	137.8 Å²	137.8	69%	0.692	79%	0.79	S	S	*	*			trans	-153.8	25.6	-178.1	53.5	0	0	0	0	115.5
77	L	25.9	Very low	24.3	Very low	163 Å²	163	136.5 Å²	136.5	85%	0.853	78%	0.784	S	S	*	*			trans	-103.3	9.8	-167.2	-122.9	166.3	0	0	0	115.5
78	E	27.5	Very low	24.3	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	79%	0.785	S	S	*	*	S	Bend	trans	-110.9	-14.1	-169	-62.9	-167.7	121.7	0	0	115.9
79	T	25.8	Very low	24.5	Very low	94 Å²	94	138 Å²	138	58%	0.577	78%	0.781	S	S	*	*	S	Bend	trans	-87.2	-15.5	-170.2	41	0	0	0	0	116.3	R81	T79-R81 PolarHBondContact O-N 2.83Å; T79-R81 VanDerWaalsContact O-N 3.14Å
80	C	24.6	Very low	24.7	Very low	104 Å²	104	140.6 Å²	140.6	70%	0.703	78%	0.782	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	24.5	-179.6	-66.3	0	0	0	0	114.6
81	R	25.4	Very low	25	Very low	234 Å²	234	140.6 Å²	140.6	88%	0.883	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	4.8	-170.9	-147	174.6	-173.6	173.6	2.2	114.8	T79	T79-R81 PolarHBondContact O-N 2.83Å; T79-R81 VanDerWaalsContact O-N 3.14Å
82	S	24.5	Very low	25.3	Very low	98 Å²	98	138.6 Å²	138.6	69%	0.685	77%	0.773	S	S	*	*	S	Bend	trans	-110.6	-39.2	-160.9	-49.2	0	0	0	0	115.7	Y84	S82-Y84 VanDerWaalsContact C-N 3.28Å; S82-Y84 PolarHBondContact O-N 3.46Å
83	D	24.4	Very low	25.9	Very low	156 Å²	156	137.4 Å²	137.4	83%	0.834	75%	0.752	S	S	*	*			trans	-87.6	20.2	-167.5	-70.3	-18.1	0	0	0	115	L85	D83-L85 PolarHBondContact O-N 3.45Å
84	Y	24.8	Very low	26.6	Very low	222 Å²	222	134 Å²	134	87%	0.871	73%	0.729	S	S	*	*			trans	-79.8	62	176.5	-145.3	-83.1	0	0	0	111.2	S82 S86	S82-Y84 VanDerWaalsContact C-N 3.28Å; S82-Y84 PolarHBondContact O-N 3.46Å; Y84-S86 PolarHBondContact O-N 3.41Å
85	L	24	Very low	27.3	Very low	143 Å²	143	124.3 Å²	124.3	75%	0.749	69%	0.69	S	S	*	*			trans	-57.5	107.6	-176.4	-95.4	168.9	0	0	0	111.4	D83 S87	D83-L85 PolarHBondContact O-N 3.45Å; L85-S87 PolarHBondContact O-N 2.83Å
86	S	23.4	Very low	27.9	Very low	125 Å²	125	123.7 Å²	123.7	87%	0.874	67%	0.672	S	S	*	*			trans	-76.7	46.1	-170.9	47.3	0	0	0	0	114.1	Y84	Y84-S86 PolarHBondContact O-N 3.41Å
87	S	22.6	Very low	28.7	Very low	89 Å²	89	123 Å²	123	62%	0.622	65%	0.654	S	S	*	*			trans	-127.1	141.2	176.8	76.1	0	0	0	0	111.8	L85	L85-S87 PolarHBondContact O-N 2.83Å
88	R	23.9	Very low	29.4	Very low	226 Å²	226	116 Å²	116	85%	0.853	62%	0.617	S	S	*	*	S	Bend	trans	69.2	52.6	-177.5	-55.9	-175.2	174.6	177.9	0.4	116.8
89	G	24.8	Very low	29.9	Very low	70 Å²	70	109.5 Å²	109.5	72%	0.722	59%	0.588	S	S	*	*			trans	84.4	116.4	147.3	0	0	0	0	0	116.3
90	Q	27	Very low	30.4	Very low	177 Å²	177	107 Å²	107	83%	0.827	57%	0.571	S	S	*	*			trans	-57.2	145.4	157	-71	176.9	-28.4	0	0	109.7	A92	Q90-A92 PolarHBondContact O-N 3.32Å
91	P	29.5	Very low	31	Very low	88 Å²	88	107.1 Å²	107.1	57%	0.571	56%	0.56	S	S	*	*			trans	-71	78.6	164	-8	24.4	0	0	0	109.4	D93 Y111	P91-D93 PolarHBondContact O-N 2.87Å; P91-Y111 HydrophobicContact CB-CE1 3.89Å; P91-Y111 VanDerWaalsContact CB-OH 3.29Å; P91-Y111 WeakPolarHBondContact CB-OH 3.21Å
92	A	27.9	Very low	31.5	Very low	94 Å²	94	100 Å²	100	78%	0.777	54%	0.542	S	S	*	.			trans	-70	-12.9	175.7	0	0	0	0	0	112.7	Q90	Q90-A92 PolarHBondContact O-N 3.32Å
93	D	34.3	Very low	31.8	Very low	76 Å²	76	97.4 Å²	97.4	41%	0.406	52%	0.524	S	S	.	.	S	Bend	trans	-79.4	129.8	176.3	-74.4	-42.7	0	0	0	112.2	P91 G95 Y111 P113 N115	P91-D93 PolarHBondContact O-N 2.87Å; D93-G95 PolarHBondContact O-N 2.82Å; D93-Y111 PolarHBondContact O-OH 3.35Å; D93-Y111 VanDerWaalsContact O-OH 3.04Å; D93-P113 HydrophobicContact CB-CB 4.26Å; D93-N115 PolarHBondContact OD2-ND2 3.35Å
94	D	41.8	Very low	32.1	Very low	57 Å²	57	95.5 Å²	95.5	31%	0.305	52%	0.52	S	S	.	.			trans	-48.2	117.2	164.8	-100.6	-20.3	0	0	0	109.1	R114 K169	D94-R114 HydrophobicContact CB-CG 4.48Å; D94-R114 VanDerWaalsContact CB-CZ 3.46Å; D94-R114 VanDerWaalsContact O-CB 3.31Å; D94-R114 WeakPolarHBondContact O-CB 3.38Å; D94-R114 VanDerWaalsContact O-CG 3.24Å; D94-R114 WeakPolarHBondContact O-CG 3.31Å; D94-R114 PolarHBondContact O-N 2.94Å; D94-R114 IonicContact OD2-CZ 3.14Å; D94-R114 IonicContact OD2-NH1 3.68Å; D94-R114 PolarHBondContact OD2-NH1 3.07Å; D94-R114 IonicContact OD2-NH2 3.03Å; D94-R114 PolarHBondContact OD2-NH2 2.9Å; D94-K169 WeakPolarHBondContact OD1-CE 3.27Å; D94-K169 IonicContact OD1-NZ 2.67Å
95	G	38.7	Very low	32.4	Very low	11 Å²	11	88.6 Å²	88.6	11%	0.113	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	179.7	-175.7	0	0	0	0	0	112.7	D93 N112 A168	D93-G95 PolarHBondContact O-N 2.82Å; G95-N112 VanDerWaalsContact CA-O 3.28Å; G95-N112 WeakPolarHBondContact CA-O 3.28Å; G95-A168 VanDerWaalsContact O-CB 3.26Å; G95-A168 WeakPolarHBondContact O-CB 3.33Å; G95-A168 PolarHBondContact O-N 2.65Å
96	W	38.9	Very low	32.8	Very low	91 Å²	91	82.8 Å²	82.8	35%	0.345	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.7	177.4	54.7	-75.3	0	0	0	111.2	Q98 N112 V165	W96-Q98 HydrophobicContact CE3-CB 4.09Å; W96-Q98 HydrophobicContact CH2-CB 4.43Å; W96-Q98 VanDerWaalsContact CH2-OE1 3.24Å; W96-Q98 HydrophobicContact CZ3-CB 3.62Å; W96-Q98 HydrophobicContact CZ3-CG 3.96Å; W96-N112 HydrophobicContact CD2-CB 3.85Å; W96-N112 HydrophobicContact CG-CB 4.16Å; W96-N112 HydrophobicContact CH2-CB 4.36Å; W96-N112 HydrophobicContact CZ2-CB 3.67Å; W96-N112 PolarHBondContact N-O 2.9Å; W96-N112 VanDerWaalsContact N-O 3.08Å; W96-N112 PolarHBondContact O-N 3.2Å; W96-V165 HydrophobicContact CE3-CG1 4.34Å
97	W	42.5	Very low	33.4	Very low	84 Å²	84	78.6 Å²	78.6	32%	0.318	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.7	175.8	-65.3	92.1	0	0	0	109.7	V109 Y111 Y121 L166	W97-V109 HydrophobicContact CE3-CG1 3.8Å; W97-V109 HydrophobicContact CZ3-CG1 4.06Å; W97-Y111 HydrophobicContact CD2-CD2 4.09Å; W97-Y111 AromaticContact CE2-CD2 3.84Å; W97-Y111 HydrophobicContact CE3-CD2 4.47Å; W97-Y111 HydrophobicContact CH2-CD2 4.42Å; W97-Y111 HydrophobicContact CH2-CG 4.34Å; W97-Y111 HydrophobicContact CZ2-CD2 4.01Å; W97-Y111 HydrophobicContact CZ2-CG 4.36Å; W97-Y111 HydrophobicContact CZ3-CG 4.49Å; W97-Y121 HydrophobicContact CZ3-CE2 4.48Å; W97-L166 PolarHBondContact N-O 3.04Å
98	Q	41.3	Very low	34.1	Very low	18 Å²	18	76.9 Å²	76.9	8%	0.084	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117.6	176.5	-175.9	175	-10.6	0	0	108.7	W96 D100 S110 N112	W96-Q98 HydrophobicContact CE3-CB 4.09Å; W96-Q98 HydrophobicContact CH2-CB 4.43Å; W96-Q98 VanDerWaalsContact CH2-OE1 3.24Å; W96-Q98 HydrophobicContact CZ3-CB 3.62Å; W96-Q98 HydrophobicContact CZ3-CG 3.96Å; Q98-D100 PolarHBondContact NE2-OD1 2.9Å; Q98-D100 PolarHBondContact NE2-OD2 2.83Å; Q98-S110 PolarHBondContact N-O 2.93Å; Q98-S110 PolarHBondContact O-N 2.88Å; Q98-N112 PolarHBondContact OE1-ND2 2.85Å
99	L	37.5	Very low	34.7	Very low	43 Å²	43	68 Å²	68	23%	0.225	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.8	164.4	-63.5	102.7	0	0	0	108.4	F101 I107 H108 V109	L99-F101 HydrophobicContact CB-CE2 4.45Å; L99-I107 HydrophobicContact CD2-CG2 4.15Å; L99-H108 WeakPolarHBondContact CA-O 3.37Å; L99-V109 HydrophobicContact CD2-CG2 4.05Å; L99-V109 HydrophobicContact CG-CG2 4.3Å
100	D	37.3	Very low	35.5	Very low	40 Å²	40	64.8 Å²	64.8	21%	0.214	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	120.2	170.5	-67.6	-36.8	0	0	0	108.5	Q98 T102 H108	Q98-D100 PolarHBondContact NE2-OD1 2.9Å; Q98-D100 PolarHBondContact NE2-OD2 2.83Å; D100-T102 HydrophobicContact CB-CG2 4.43Å; D100-H108 HydrophobicContact CB-CB 4.27Å; D100-H108 PolarHBondContact N-O 2.92Å; D100-H108 PolarHBondContact O-N 3.41Å
101	F	35.7	Very low	36.1	Very low	108 Å²	108	57 Å²	57	47%	0.474	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	109	170.4	-62.4	-89.5	0	0	0	107.7	L99 I107	L99-F101 HydrophobicContact CB-CE2 4.45Å; F101-I107 HydrophobicContact CD1-CG1 3.99Å; F101-I107 HydrophobicContact CE1-CD1 3.87Å; F101-I107 HydrophobicContact CE1-CG1 3.83Å
102	T	35.9	Very low	36.8	Very low	83 Å²	83	53.3 Å²	53.3	51%	0.509	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-23.3	-172.3	62.7	0	0	0	0	113.3	D100 E106 H108	D100-T102 HydrophobicContact CB-CG2 4.43Å; T102-E106 PolarHBondContact N-O 2.83Å; T102-E106 PolarHBondContact OG1-O 3.43Å; T102-H108 HydrophobicContact CG2-CB 4.36Å; T102-H108 VanDerWaalsContact CG2-CD2 3.46Å; T102-H108 WeakPolarHBondContact CG2-CD2 3.47Å; T102-H108 PolarHBondContact OG1-CD2 3.42Å; T102-H108 VanDerWaalsContact OG1-CD2 3.25Å; T102-H108 PolarHBondContact OG1-NE2 2.87Å
103	S	30.7	Very low	37.6	Very low	44 Å²	44	49.4 Å²	49.4	31%	0.308	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	169.8	167.8	74.2	0	0	0	0	107.2	D105 E106	S103-D105 PolarHBondContact O-N 2.78Å; S103-D105 VanDerWaalsContact O-N 3.16Å; S103-D105 PolarHBondContact OG-N 3.13Å; S103-D105 VanDerWaalsContact OG-N 3.15Å; S103-E106 PolarHBondContact O-N 3.23Å; S103-E106 PolarHBondContact OG-N 3.49Å
104	P	30.5	Very low	37.9	Very low	117 Å²	117	55 Å²	55	76%	0.76	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-21.7	169.1	22.3	-33.2	0	0	0	113.5
105	D	32.2	Very low	38	Very low	77 Å²	77	56.5 Å²	56.5	41%	0.412	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-2.3	-172.4	-41.6	-66.8	0	0	0	114	S103 L125	S103-D105 PolarHBondContact O-N 2.78Å; S103-D105 VanDerWaalsContact O-N 3.16Å; S103-D105 PolarHBondContact OG-N 3.13Å; S103-D105 VanDerWaalsContact OG-N 3.15Å; D105-L125 PolarHBondContact O-N 2.86Å
106	E	33.2	Very low	37.7	Very low	20 Å²	20	58.8 Å²	58.8	9%	0.093	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	113.2	-177.3	-67	-159.8	176.3	0	0	113.9	T102 S103 H108 R122 R124	T102-E106 PolarHBondContact N-O 2.83Å; T102-E106 PolarHBondContact OG1-O 3.43Å; S103-E106 PolarHBondContact O-N 3.23Å; S103-E106 PolarHBondContact OG-N 3.49Å; E106-H108 IonicContact OE2-NE2 3.4Å; E106-R122 IonicContact OE1-CZ 2.8Å; E106-R122 IonicContact OE1-NE 3.23Å; E106-R122 IonicContact OE1-NH2 3.82Å; E106-R122 PolarHBondContact OE1-NH2 2.92Å; E106-R122 IonicContact OE2-CZ 3.16Å; E106-R122 IonicContact OE2-NE 2.65Å; E106-R122 PolarHBondContact OE2-NE 2.94Å; E106-R122 IonicContact OE2-NH2 3.13Å; E106-R122 PolarHBondContact OE2-NH2 2.94Å; E106-R124 HydrophobicContact CG-CG 3.9Å; E106-R124 WeakPolarHBondContact OE1-CG 3.46Å; E106-R124 IonicContact OE1-CZ 3.62Å; E106-R124 IonicContact OE1-NE 3.73Å; E106-R124 PolarHBondContact OE1-NE 2.96Å; E106-R124 IonicContact OE1-NH2 3.85Å
107	I	34.2	Very low	37.6	Very low	37 Å²	37	64.3 Å²	64.3	19%	0.19	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.5	169.4	-54.8	-177.4	0	0	0	109.1	L99 F101 V109 Q123 L125	L99-I107 HydrophobicContact CD2-CG2 4.15Å; F101-I107 HydrophobicContact CD1-CG1 3.99Å; F101-I107 HydrophobicContact CE1-CD1 3.87Å; F101-I107 HydrophobicContact CE1-CG1 3.83Å; I107-V109 HydrophobicContact CG2-CG2 3.98Å; I107-Q123 PolarHBondContact N-O 2.87Å; I107-Q123 PolarHBondContact O-N 2.94Å; I107-Q123 VanDerWaalsContact O-N 3.12Å; I107-L125 HydrophobicContact CD1-CD1 4.04Å; I107-L125 HydrophobicContact CD1-CD2 4.12Å; I107-L125 HydrophobicContact CD1-CG 4.35Å; I107-L125 HydrophobicContact CG1-CD1 3.99Å; I107-L125 HydrophobicContact CG1-CD2 4.47Å; I107-L125 HydrophobicContact CG1-CG 4.24Å
108	H	38.7	Very low	37.4	Very low	53 Å²	53	64 Å²	64	25%	0.245	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	114.7	167	-75.6	-115.7	0	0	0	109.2	L99 D100 T102 E106	L99-H108 WeakPolarHBondContact CA-O 3.37Å; D100-H108 HydrophobicContact CB-CB 4.27Å; D100-H108 PolarHBondContact N-O 2.92Å; D100-H108 PolarHBondContact O-N 3.41Å; T102-H108 HydrophobicContact CG2-CB 4.36Å; T102-H108 VanDerWaalsContact CG2-CD2 3.46Å; T102-H108 WeakPolarHBondContact CG2-CD2 3.47Å; T102-H108 PolarHBondContact OG1-CD2 3.42Å; T102-H108 VanDerWaalsContact OG1-CD2 3.25Å; T102-H108 PolarHBondContact OG1-NE2 2.87Å; E106-H108 IonicContact OE2-NE2 3.4Å
109	V	35.7	Very low	37.4	Very low	39 Å²	39	67.8 Å²	67.8	24%	0.236	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	127.3	170	-178.5	0	0	0	0	108	W97 L99 I107 Y121	W97-V109 HydrophobicContact CE3-CG1 3.8Å; W97-V109 HydrophobicContact CZ3-CG1 4.06Å; L99-V109 HydrophobicContact CD2-CG2 4.05Å; L99-V109 HydrophobicContact CG-CG2 4.3Å; I107-V109 HydrophobicContact CG2-CG2 3.98Å; V109-Y121 PolarHBondContact N-O 2.94Å; V109-Y121 PolarHBondContact O-N 3.06Å
110	S	41.4	Very low	37.3	Very low	4 Å²	4	71.1 Å²	71.1	3%	0.028	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.9	172	60.9	0	0	0	0	112.3	Q98 Q119	Q98-S110 PolarHBondContact N-O 2.93Å; Q98-S110 PolarHBondContact O-N 2.88Å; S110-Q119 VanDerWaalsContact CA-O 3.23Å; S110-Q119 WeakPolarHBondContact CA-O 3.13Å; S110-Q119 VanDerWaalsContact CB-O 3.31Å; S110-Q119 WeakPolarHBondContact CB-O 3.31Å
111	Y	40.3	Very low	37.3	Very low	13 Å²	13	75 Å²	75	5%	0.051	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.8	173	175.1	-118.8	0	0	0	108.4	P91 D93 W97 P113 R118 Q119	P91-Y111 HydrophobicContact CB-CE1 3.89Å; P91-Y111 VanDerWaalsContact CB-OH 3.29Å; P91-Y111 WeakPolarHBondContact CB-OH 3.21Å; D93-Y111 PolarHBondContact O-OH 3.35Å; D93-Y111 VanDerWaalsContact O-OH 3.04Å; W97-Y111 HydrophobicContact CD2-CD2 4.09Å; W97-Y111 AromaticContact CE2-CD2 3.84Å; W97-Y111 HydrophobicContact CE3-CD2 4.47Å; W97-Y111 HydrophobicContact CH2-CD2 4.42Å; W97-Y111 HydrophobicContact CH2-CG 4.34Å; W97-Y111 HydrophobicContact CZ2-CD2 4.01Å; W97-Y111 HydrophobicContact CZ2-CG 4.36Å; W97-Y111 HydrophobicContact CZ3-CG 4.49Å; Y111-P113 HydrophobicContact CD1-CB 4.46Å; Y111-P113 HydrophobicContact CD1-CG 4.24Å; Y111-P113 HydrophobicContact CE1-CB 3.67Å; Y111-P113 HydrophobicContact CE1-CG 3.88Å; Y111-P113 VanDerWaalsContact O-CD 3.23Å; Y111-P113 WeakPolarHBondContact O-CD 3.33Å; Y111-R118 WeakPolarHBondContact O-CA 3.48Å; Y111-Q119 PolarHBondContact N-O 3.38Å; Y111-Q119 VanDerWaalsContact N-O 3.09Å; Y111-Q119 PolarHBondContact O-N 3.3Å; Y111-Q119 VanDerWaalsContact O-N 3.14Å
112	N	43.1	Very low	37	Very low	11 Å²	11	77.9 Å²	77.9	6%	0.059	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	86.9	178.2	-71.1	-96.4	0	0	0	108.9	G95 W96 Q98 R118	G95-N112 VanDerWaalsContact CA-O 3.28Å; G95-N112 WeakPolarHBondContact CA-O 3.28Å; W96-N112 HydrophobicContact CD2-CB 3.85Å; W96-N112 HydrophobicContact CG-CB 4.16Å; W96-N112 HydrophobicContact CH2-CB 4.36Å; W96-N112 HydrophobicContact CZ2-CB 3.67Å; W96-N112 PolarHBondContact N-O 2.9Å; W96-N112 VanDerWaalsContact N-O 3.08Å; W96-N112 PolarHBondContact O-N 3.2Å; Q98-N112 PolarHBondContact OE1-ND2 2.85Å; N112-R118 WeakPolarHBondContact OD1-CG 3.26Å; N112-R118 PolarHBondContact OD1-NE 2.99Å
113	P	45.8	Very low	36.9	Very low	12 Å²	12	80.6 Å²	80.6	8%	0.078	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	149.8	169.2	28.7	-33.3	0	0	0	110.6	D93 Y111 N115 G116 R117	D93-P113 HydrophobicContact CB-CB 4.26Å; Y111-P113 HydrophobicContact CD1-CB 4.46Å; Y111-P113 HydrophobicContact CD1-CG 4.24Å; Y111-P113 HydrophobicContact CE1-CB 3.67Å; Y111-P113 HydrophobicContact CE1-CG 3.88Å; Y111-P113 VanDerWaalsContact O-CD 3.23Å; Y111-P113 WeakPolarHBondContact O-CD 3.33Å; P113-N115 VanDerWaalsContact CG-OD1 3.3Å; P113-N115 WeakPolarHBondContact CG-OD1 3.26Å; P113-N115 PolarHBondContact O-N 3.39Å; P113-N115 VanDerWaalsContact O-N 3.12Å; P113-G116 PolarHBondContact O-N 2.91Å; P113-R117 WeakPolarHBondContact CD-O 3.29Å; P113-R117 WeakPolarHBondContact CG-O 3.33Å
114	R	41.3	Very low	36.8	Very low	194 Å²	194	87 Å²	87	73%	0.732	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.1	172.8	-89.2	-175.7	-168.3	148.5	15.2	113.8	D94 G116	D94-R114 HydrophobicContact CB-CG 4.48Å; D94-R114 VanDerWaalsContact CB-CZ 3.46Å; D94-R114 VanDerWaalsContact O-CB 3.31Å; D94-R114 WeakPolarHBondContact O-CB 3.38Å; D94-R114 VanDerWaalsContact O-CG 3.24Å; D94-R114 WeakPolarHBondContact O-CG 3.31Å; D94-R114 PolarHBondContact O-N 2.94Å; D94-R114 IonicContact OD2-CZ 3.14Å; D94-R114 IonicContact OD2-NH1 3.68Å; D94-R114 PolarHBondContact OD2-NH1 3.07Å; D94-R114 IonicContact OD2-NH2 3.03Å; D94-R114 PolarHBondContact OD2-NH2 2.9Å; R114-G116 PolarHBondContact O-N 2.79Å; R114-G116 VanDerWaalsContact O-N 3.16Å
115	N	42.6	Very low	36.7	Very low	87 Å²	87	85.2 Å²	85.2	47%	0.465	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.9	175.7	76.3	34.9	0	0	0	114.4	D93 P113 R117	D93-N115 PolarHBondContact OD2-ND2 3.35Å; P113-N115 VanDerWaalsContact CG-OD1 3.3Å; P113-N115 WeakPolarHBondContact CG-OD1 3.26Å; P113-N115 PolarHBondContact O-N 3.39Å; P113-N115 VanDerWaalsContact O-N 3.12Å; N115-R117 PolarHBondContact O-N 3.16Å; N115-R117 WeakPolarHBondContact OD1-CB 3.45Å; N115-R117 PolarHBondContact OD1-N 3.04Å
116	G	33.7	Very low	36.5	Very low	60 Å²	60	86.8 Å²	86.8	62%	0.619	40%	0.397	S	S	*	.	S	Bend	trans	86.7	-10.9	173.9	0	0	0	0	0	116	P113 R114 R118	P113-G116 PolarHBondContact O-N 2.91Å; R114-G116 PolarHBondContact O-N 2.79Å; R114-G116 VanDerWaalsContact O-N 3.16Å; G116-R118 PolarHBondContact O-N 3.15Å
117	R	35.3	Very low	36.2	Very low	207 Å²	207	90.2 Å²	90.2	78%	0.781	42%	0.421	S	S	*	.			trans	-79.4	86.1	176.5	-70.4	-174.7	168.6	-172.5	-2.8	111.6	P113 N115 Q119	P113-R117 WeakPolarHBondContact CD-O 3.29Å; P113-R117 WeakPolarHBondContact CG-O 3.33Å; N115-R117 PolarHBondContact O-N 3.16Å; N115-R117 WeakPolarHBondContact OD1-CB 3.45Å; N115-R117 PolarHBondContact OD1-N 3.04Å; R117-Q119 PolarHBondContact O-N 2.84Å
118	R	39.6	Very low	35.8	Very low	78 Å²	78	95.7 Å²	95.7	29%	0.294	45%	0.451	S	S	.	.			trans	-56.3	127.7	170.7	-73.9	-175.4	169.5	151.7	-0.1	111.4	Y111 N112 G116 F120 T308	Y111-R118 WeakPolarHBondContact O-CA 3.48Å; N112-R118 WeakPolarHBondContact OD1-CG 3.26Å; N112-R118 PolarHBondContact OD1-NE 2.99Å; G116-R118 PolarHBondContact O-N 3.15Å; R118-F120 HydrophobicContact CB-CE1 4.28Å; R118-F120 HydrophobicContact CB-CE2 3.85Å; R118-F120 HydrophobicContact CB-CZ 3.64Å; R118-F120 HydrophobicContact CG-CZ 4.28Å; R118-T308 PolarHBondContact NH1-OG1 3.46Å
119	Q	41.1	Very low	35.2	Very low	96 Å²	96	96.6 Å²	96.6	45%	0.449	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	140.7	164.9	-68.9	175.8	-19.3	0	0	109.1	S110 Y111 R117 Y121	S110-Q119 VanDerWaalsContact CA-O 3.23Å; S110-Q119 WeakPolarHBondContact CA-O 3.13Å; S110-Q119 VanDerWaalsContact CB-O 3.31Å; S110-Q119 WeakPolarHBondContact CB-O 3.31Å; Y111-Q119 PolarHBondContact N-O 3.38Å; Y111-Q119 VanDerWaalsContact N-O 3.09Å; Y111-Q119 PolarHBondContact O-N 3.3Å; Y111-Q119 VanDerWaalsContact O-N 3.14Å; R117-Q119 PolarHBondContact O-N 2.84Å; Q119-Y121 HydrophobicContact CB-CE2 4.04Å; Q119-Y121 PolarHBondContact OE1-OH 2.72Å
120	F	34.6	Very low	34.6	Very low	114 Å²	114	100 Å²	100	50%	0.5	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.5	-177.4	-62.4	-71.7	0	0	0	110.8	R118	R118-F120 HydrophobicContact CB-CE1 4.28Å; R118-F120 HydrophobicContact CB-CE2 3.85Å; R118-F120 HydrophobicContact CB-CZ 3.64Å; R118-F120 HydrophobicContact CG-CZ 4.28Å
121	Y	37.3	Very low	33.7	Very low	122 Å²	122	108.7 Å²	108.7	48%	0.478	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.3	172.6	-54.8	-92.1	0	0	0	107.2	W97 V109 Q119	W97-Y121 HydrophobicContact CZ3-CE2 4.48Å; V109-Y121 PolarHBondContact N-O 2.94Å; V109-Y121 PolarHBondContact O-N 3.06Å; Q119-Y121 HydrophobicContact CB-CE2 4.04Å; Q119-Y121 PolarHBondContact OE1-OH 2.72Å
122	R	30.1	Very low	33	Very low	167 Å²	167	112.7 Å²	112.7	63%	0.63	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-118.9	125.4	179.8	-174.4	-177.6	-172.8	-168.7	3.5	108.1	E106	E106-R122 IonicContact OE1-CZ 2.8Å; E106-R122 IonicContact OE1-NE 3.23Å; E106-R122 IonicContact OE1-NH2 3.82Å; E106-R122 PolarHBondContact OE1-NH2 2.92Å; E106-R122 IonicContact OE2-CZ 3.16Å; E106-R122 IonicContact OE2-NE 2.65Å; E106-R122 PolarHBondContact OE2-NE 2.94Å; E106-R122 IonicContact OE2-NH2 3.13Å; E106-R122 PolarHBondContact OE2-NH2 2.94Å
123	Q	33.6	Very low	32.2	Very low	140 Å²	140	120.1 Å²	120.1	65%	0.654	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-128.6	121.8	177.6	-168.3	169	4	0	0	109.1	I107	I107-Q123 PolarHBondContact N-O 2.87Å; I107-Q123 PolarHBondContact O-N 2.94Å; I107-Q123 VanDerWaalsContact O-N 3.12Å
124	R	28.4	Very low	31.2	Very low	179 Å²	179	124.2 Å²	124.2	68%	0.675	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-74.7	131.9	168	-83.6	178	168.7	-177.5	-7.1	109.1	E106	E106-R124 HydrophobicContact CG-CG 3.9Å; E106-R124 WeakPolarHBondContact OE1-CG 3.46Å; E106-R124 IonicContact OE1-CZ 3.62Å; E106-R124 IonicContact OE1-NE 3.73Å; E106-R124 PolarHBondContact OE1-NE 2.96Å; E106-R124 IonicContact OE1-NH2 3.85Å
125	L	29.1	Very low	30.4	Very low	80 Å²	80	122 Å²	122	42%	0.419	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-83.8	120.9	161	-57.5	177.1	0	0	0	106.6	D105 I107	D105-L125 PolarHBondContact O-N 2.86Å; I107-L125 HydrophobicContact CD1-CD1 4.04Å; I107-L125 HydrophobicContact CD1-CD2 4.12Å; I107-L125 HydrophobicContact CD1-CG 4.35Å; I107-L125 HydrophobicContact CG1-CD1 3.99Å; I107-L125 HydrophobicContact CG1-CD2 4.47Å; I107-L125 HydrophobicContact CG1-CG 4.24Å
126	V	28	Very low	29.6	Very low	109 Å²	109	125.8 Å²	125.8	66%	0.661	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-90.8	119.9	171.6	-176.6	0	0	0	0	107.5	N128	V126-N128 PolarHBondContact O-N 3.16Å
127	P	26.8	Very low	29.1	Very low	92 Å²	92	126.8 Å²	126.8	60%	0.597	67%	0.673	S	S	*	*	S	Bend	trans	-73.1	124.3	173.6	28.7	-32.1	0	0	0	109.5
128	N	26.2	Very low	28.5	Very low	153 Å²	153	126.4 Å²	126.4	82%	0.818	68%	0.678	S	S	*	*	S	Bend	trans	73	151.5	-166.9	-46	-54.9	0	0	0	113.8	V126	V126-N128 PolarHBondContact O-N 3.16Å
129	G	25.1	Very low	27.8	Very low	71 Å²	71	133.3 Å²	133.3	73%	0.732	71%	0.705	S	S	*	*	S	Bend	trans	-81.5	140.8	-163.6	0	0	0	0	0	114.9
130	C	22.9	Very low	27	Very low	112 Å²	112	134.3 Å²	134.3	76%	0.757	72%	0.72	S	S	*	*			trans	50.8	64	146.6	-57.2	0	0	0	0	118.3
131	E	23.7	Very low	26.4	Very low	186 Å²	186	133.7 Å²	133.7	87%	0.869	73%	0.729	S	S	*	*			trans	-110.4	120	136.8	-72	-162.5	150.6	0	0	109.1	L133	E131-L133 PolarHBondContact O-N 2.8Å
132	A	25.6	Very low	25.8	Very low	96 Å²	96	131.9 Å²	131.9	79%	0.793	73%	0.734	S	S	*	*			trans	-79.6	117.3	170.6	0	0	0	0	0	107.9	P134	A132-P134 WeakPolarHBondContact O-CD 3.24Å
133	L	26.1	Very low	25.4	Very low	168 Å²	168	134.9 Å²	134.9	88%	0.88	75%	0.745	S	S	*	*			trans	-79.2	107.1	164.2	-81.3	164.5	0	0	0	108.3	E131	E131-L133 PolarHBondContact O-N 2.8Å
134	P	24.5	Very low	24.8	Very low	97 Å²	97	136.1 Å²	136.1	63%	0.63	76%	0.756	S	S	*	*			trans	-68.8	150.5	167.3	32.5	-35.4	0	0	0	109	A132	A132-P134 WeakPolarHBondContact O-CD 3.24Å
135	N	24.3	Very low	24.5	Very low	148 Å²	148	133.3 Å²	133.3	79%	0.791	76%	0.759	S	S	*	*			trans	66.5	91.5	178.4	-42.4	-45.7	0	0	0	114.4
136	D	26.2	Very low	24.3	Very low	166 Å²	166	136.5 Å²	136.5	89%	0.888	78%	0.781	S	S	*	*	S	Bend		-163.5	123	119.7	-106.4	-20	0	0	0	113.1
137	G	23.1	Very low	24	Very low	82 Å²	82	135 Å²	135	85%	0.845	79%	0.788	S	S	*	*			trans	85.7	18.2	142.8	0	0	0	0	0	121.8
138	F	22.4	Very low	23.8	Very low	198 Å²	198	134.9 Å²	134.9	87%	0.868	80%	0.795	S	S	*	*			trans	-105.7	104.2	168.6	-102.2	-73	0	0	0	112.8
139	Y	24.4	Very low	23.7	Very low	224 Å²	224	136.2 Å²	136.2	88%	0.878	80%	0.796	S	S	*	*			trans	-170.1	165.1	159.5	-86.1	-52	0	0	0	110.2
140	P	24.4	Very low	23.5	Very low	117 Å²	117	137.7 Å²	137.7	76%	0.76	80%	0.795	S	S	*	*			cis	-123.4	-178.4	-25.8	33.5	-15	0	0	0	110.1
141	C	22.2	Very low	23.5	Very low	101 Å²	101	137.5 Å²	137.5	68%	0.682	80%	0.795	S	S	*	*			cis	-149.3	160	-13.8	-127.4	0	0	0	0	105.6
142	S	23.6	Very low	23.5	Very low	84 Å²	84	133 Å²	133	59%	0.587	78%	0.782	S	S	*	*				-156.8	122.6	64.3	56	0	0	0	0	113.2
143	R	21.7	Very low	23.3	Very low	229 Å²	229	134 Å²	134	86%	0.864	78%	0.778	S	S	*	*			trans	15.6	116.2	149	-58	176.7	-178.5	176.3	-1.3	117.4
144	L	22.7	Very low	23.1	Very low	167 Å²	167	131.4 Å²	131.4	87%	0.874	77%	0.769	S	S	*	*				-155.5	134.1	107	-105.5	163.8	0	0	0	110
145	T	21.9	Very low	22.9	Very low	120 Å²	120	132.2 Å²	132.2	74%	0.736	78%	0.776	S	S	*	*			trans	-104.1	140.2	179.9	45.8	0	0	0	0	110.1
146	T	23.7	Very low	22.9	Very low	146 Å²	146	130.7 Å²	130.7	90%	0.896	77%	0.768	S	S	*	*				152.6	134.5	125.7	47.6	0	0	0	0	110.8
147	G	22.3	Very low	22.6	Very low	77 Å²	77	129.9 Å²	129.9	79%	0.794	77%	0.769	S	S	*	*			trans	148.2	140.9	161.2	0	0	0	0	0	116.4
148	A	23.3	Very low	22.7	Very low	91 Å²	91	133.9 Å²	133.9	75%	0.752	76%	0.76	S	S	*	*			trans	-38.5	123.4	172.3	0	0	0	0	0	114.7
149	Q	22.5	Very low	22.8	Very low	180 Å²	180	132.4 Å²	132.4	84%	0.841	75%	0.753	S	S	*	*				71.4	134.5	91.2	-70.6	-176.1	-13.7	0	0	116.4
150	S	22	Very low	22.8	Very low	102 Å²	102	129 Å²	129	71%	0.713	75%	0.749	S	S	*	*			trans	65.2	108.6	172.6	70.4	0	0	0	0	117.5
151	S	23.1	Very low	22.9	Very low	108 Å²	108	128.5 Å²	128.5	76%	0.755	74%	0.744	S	S	*	*			trans	-142.6	143.3	163.6	55.8	0	0	0	0	110.1
152	P	22.9	Very low	23.1	Very low	91 Å²	91	128.8 Å²	128.8	59%	0.591	75%	0.746	S	S	*	*			trans	-88.2	145.3	-165	33.1	-36	0	0	0	114.4
153	T	21.8	Very low	23.3	Very low	117 Å²	117	131.2 Å²	131.2	72%	0.718	74%	0.743	S	S	*	*			trans	-76	125.4	174.8	-15.6	0	0	0	0	111.6
154	V	22.3	Very low	23.5	Very low	114 Å²	114	125 Å²	125	69%	0.691	73%	0.726	S	S	*	*			trans	-105.7	99.3	174.4	-175.2	0	0	0	0	109.7	L156	V154-L156 HydrophobicContact CG1-CD1 4.42Å; V154-L156 HydrophobicContact CG1-CD2 4.23Å; V154-L156 HydrophobicContact CG1-CG 4.07Å
155	C	21	Very low	23.7	Very low	114 Å²	114	121.2 Å²	121.2	77%	0.77	71%	0.71	S	S	*	*			trans	-80.6	118	176.1	-68	0	0	0	0	110.9
156	L	22.8	Very low	24	Very low	117 Å²	117	118.6 Å²	118.6	61%	0.613	69%	0.691	S	S	*	*			trans	-116.3	92.9	-180	-68.9	172.6	0	0	0	111.5	V154 Y158	V154-L156 HydrophobicContact CG1-CD1 4.42Å; V154-L156 HydrophobicContact CG1-CD2 4.23Å; V154-L156 HydrophobicContact CG1-CG 4.07Å; L156-Y158 HydrophobicContact CB-CD2 3.87Å; L156-Y158 HydrophobicContact CB-CE2 3.83Å; L156-Y158 HydrophobicContact CD1-CE2 4.16Å; L156-Y158 HydrophobicContact CD2-CE2 3.93Å; L156-Y158 HydrophobicContact CG-CE2 4.18Å; L156-Y158 PolarHBondContact O-N 2.83Å; L156-Y158 VanDerWaalsContact O-N 3.09Å
157	T	21.6	Very low	24	Very low	149 Å²	149	113.1 Å²	113.1	91%	0.914	66%	0.663	S	S	*	*			trans	-77.2	85.4	172.9	25.2	0	0	0	0	111.2
158	Y	24.6	Very low	24.2	Very low	166 Å²	166	111.2 Å²	111.2	65%	0.651	64%	0.64	S	S	*	*			trans	-92.7	136.7	177.6	-83.4	-65.7	0	0	0	114.7	L156	L156-Y158 HydrophobicContact CB-CD2 3.87Å; L156-Y158 HydrophobicContact CB-CE2 3.83Å; L156-Y158 HydrophobicContact CD1-CE2 4.16Å; L156-Y158 HydrophobicContact CD2-CE2 3.93Å; L156-Y158 HydrophobicContact CG-CE2 4.18Å; L156-Y158 PolarHBondContact O-N 2.83Å; L156-Y158 VanDerWaalsContact O-N 3.09Å
159	K	25	Very low	24.3	Very low	167 Å²	167	114.7 Å²	114.7	73%	0.726	64%	0.638	S	S	*	*			trans	-69.7	144.3	169.4	-145.1	-179.4	-176.2	-166.9	0	109.5	V161	K159-V161 PolarHBondContact O-N 3.09Å
160	L	23.7	Very low	24.6	Very low	152 Å²	152	109.1 Å²	109.1	80%	0.796	62%	0.619	S	S	*	*			trans	-53.5	105.9	178.1	-85.6	149.6	0	0	0	112.3
161	V	25.8	Very low	24.8	Very low	107 Å²	107	106.3 Å²	106.3	65%	0.648	60%	0.599	S	S	*	*			trans	-134.2	105.8	167.1	-179.5	0	0	0	0	106.9	K159 R163	K159-V161 PolarHBondContact O-N 3.09Å; V161-R163 PolarHBondContact O-N 3.09Å
162	S	26.9	Very low	24.9	Very low	106 Å²	106	104.9 Å²	104.9	74%	0.741	59%	0.594	S	S	*	*	S	Bend	trans	-71.3	8.9	-160.7	-38.2	0	0	0	0	116.3
163	R	27.2	Very low	25.2	Very low	135 Å²	135	107.2 Å²	107.2	51%	0.509	60%	0.6	S	S	.	*			trans	-167	138.7	171	-115.6	171.7	-168	142.4	13.1	111.9	V161	V161-R163 PolarHBondContact O-N 3.09Å
164	L	27.3	Very low	25.4	Very low	100 Å²	100	106 Å²	106	52%	0.524	59%	0.589	S	S	.	*			trans	-124.4	133.7	156.9	-171	73.3	0	0	0	107.7	L166	L164-L166 HydrophobicContact CD2-CD1 4.19Å; L164-L166 HydrophobicContact CD2-CD2 4.45Å; L164-L166 HydrophobicContact CD2-CG 4.23Å; L164-L166 HydrophobicContact CG-CD2 4.43Å; L164-L166 HydrophobicContact CG-CG 4.32Å
165	V	26.8	Very low	25.6	Very low	87 Å²	87	107.4 Å²	107.4	53%	0.527	59%	0.593	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.2	117.5	177.4	-178.7	0	0	0	0	108.2	W96	W96-V165 HydrophobicContact CE3-CG1 4.34Å
166	L	27.7	Very low	25.9	Very low	64 Å²	64	108.1 Å²	108.1	34%	0.335	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.3	123.6	178.4	-61.6	176.1	0	0	0	109.1	W97 L164	W97-L166 PolarHBondContact N-O 3.04Å; L164-L166 HydrophobicContact CD2-CD1 4.19Å; L164-L166 HydrophobicContact CD2-CD2 4.45Å; L164-L166 HydrophobicContact CD2-CG 4.23Å; L164-L166 HydrophobicContact CG-CD2 4.43Å; L164-L166 HydrophobicContact CG-CG 4.32Å
167	G	24	Very low	26	Very low	31 Å²	31	106.1 Å²	106.1	32%	0.32	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.2	146	175.2	0	0	0	0	0	111.3	K169 S170	G167-K169 PolarHBondContact O-N 3.23Å; G167-S170 VanDerWaalsContact O-CB 3.29Å; G167-S170 WeakPolarHBondContact O-CB 3.28Å; G167-S170 PolarHBondContact O-N 2.82Å; G167-S170 PolarHBondContact O-OG 3.39Å
168	A	26.9	Very low	26.2	Very low	37 Å²	37	107.5 Å²	107.5	31%	0.306	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-54.3	-32.9	-174.1	0	0	0	0	0	114.5	G95 S170 C171	G95-A168 VanDerWaalsContact O-CB 3.26Å; G95-A168 WeakPolarHBondContact O-CB 3.33Å; G95-A168 PolarHBondContact O-N 2.65Å; A168-S170 VanDerWaalsContact C-N 3.3Å; A168-S170 PolarHBondContact O-N 3.19Å; A168-C171 WeakPolarHBondContact O-CB 3.37Å; A168-C171 PolarHBondContact O-N 3.02Å
169	K	25.7	Very low	26.3	Very low	164 Å²	164	102.8 Å²	102.8	71%	0.713	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-74.6	-16.3	178.4	-63.2	-172.7	-179.3	-178.8	0	114	D94 G167 C171	D94-K169 WeakPolarHBondContact OD1-CE 3.27Å; D94-K169 IonicContact OD1-NZ 2.67Å; G167-K169 PolarHBondContact O-N 3.23Å; K169-C171 VanDerWaalsContact C-N 3.31Å
170	S	28.2	Very low	26.4	Very low	64 Å²	64	100.3 Å²	100.3	45%	0.448	55%	0.553	S	S	.	*	G	3₁₀ helix	trans	-72.5	-24.5	169.6	-53.2	0	0	0	0	112.3	G167 A168 A172 L173	G167-S170 VanDerWaalsContact O-CB 3.29Å; G167-S170 WeakPolarHBondContact O-CB 3.28Å; G167-S170 PolarHBondContact O-N 2.82Å; G167-S170 PolarHBondContact O-OG 3.39Å; A168-S170 VanDerWaalsContact C-N 3.3Å; A168-S170 PolarHBondContact O-N 3.19Å; S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact O-N 3.38Å; S170-L173 PolarHBondContact O-N 3.19Å
171	C	26.5	Very low	26.6	Very low	43 Å²	43	98.3 Å²	98.3	29%	0.291	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-69.4	-24.7	179.8	-60.4	0	0	0	0	113.3	A168 K169 L173 L174	A168-C171 WeakPolarHBondContact O-CB 3.37Å; A168-C171 PolarHBondContact O-N 3.02Å; K169-C171 VanDerWaalsContact C-N 3.31Å; C171-L173 PolarHBondContact O-N 3.49Å; C171-L174 PolarHBondContact O-N 3.25Å; C171-L174 VanDerWaalsContact O-N 3.13Å
172	A	25.3	Very low	26.7	Very low	77 Å²	77	95.9 Å²	95.9	64%	0.636	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-64.1	-27.5	177.4	0	0	0	0	0	113.3	S170	S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact O-N 3.38Å
173	L	27.6	Very low	26.9	Very low	140 Å²	140	96.1 Å²	96.1	73%	0.733	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-83.4	-12.8	176.6	-83.5	160.1	0	0	0	113.7	S170 C171	S170-L173 PolarHBondContact O-N 3.19Å; C171-L173 PolarHBondContact O-N 3.49Å
174	L	27.2	Very low	26.9	Very low	92 Å²	92	96.6 Å²	96.6	48%	0.482	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-82.4	-16.3	-178.1	-84	156.1	0	0	0	113.6	C171 N176 I177	C171-L174 PolarHBondContact O-N 3.25Å; C171-L174 VanDerWaalsContact O-N 3.13Å; L174-N176 PolarHBondContact O-N 3.46Å; L174-I177 HydrophobicContact CD2-CD1 4.05Å; L174-I177 PolarHBondContact O-N 3.09Å
175	N	26.1	Very low	26.9	Very low	143 Å²	143	98.4 Å²	98.4	77%	0.765	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-69.1	0.1	-177.8	-74.1	-8.9	0	0	0	115.5
176	N	27.4	Very low	26.9	Very low	130 Å²	130	102.9 Å²	102.9	70%	0.695	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-131.4	11.4	179.7	-85	-42.3	0	0	0	113.8	L174 Y178	L174-N176 PolarHBondContact O-N 3.46Å; N176-Y178 WeakPolarHBondContact O-CD2 3.25Å; N176-Y178 PolarHBondContact O-N 3.4Å
177	I	25.7	Very low	27	Very low	74 Å²	74	110.7 Å²	110.7	38%	0.379	57%	0.573	S	S	.	*			trans	-94.8	91.8	-175.1	-62.3	176	0	0	0	110.1	L174 L183	L174-I177 HydrophobicContact CD2-CD1 4.05Å; L174-I177 PolarHBondContact O-N 3.09Å; I177-L183 HydrophobicContact CD1-CD1 3.76Å; I177-L183 HydrophobicContact CG1-CD1 4.32Å; I177-L183 HydrophobicContact CG2-CD1 3.78Å
178	Y	25	Very low	27	Very low	179 Å²	179	120.6 Å²	120.6	70%	0.702	60%	0.601	S	S	*	*			trans	-77.8	118.4	170.6	-62.8	-97.8	0	0	0	109.7	N176 D182	N176-Y178 WeakPolarHBondContact O-CD2 3.25Å; N176-Y178 PolarHBondContact O-N 3.4Å; Y178-D182 WeakPolarHBondContact O-CB 3.44Å
179	S	26.2	Very low	27	Very low	67 Å²	67	124.2 Å²	124.2	47%	0.469	62%	0.624	S	S	.	*			trans	62.1	143	-177.4	-169.4	0	0	0	0	116.4	D181	S179-D181 VanDerWaalsContact C-N 3.34Å; S179-D181 PolarHBondContact OG-N 2.94Å
180	L	27.6	Very low	26.9	Very low	115 Å²	115	120 Å²	120	60%	0.602	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-26.2	173.1	-155.5	74.2	0	0	0	111.9
181	D	28	Very low	26.7	Very low	110 Å²	110	124.6 Å²	124.6	59%	0.588	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	-36.2	179.8	-61.5	-53.2	0	0	0	112.3	S179 L183 L184 L185	S179-D181 VanDerWaalsContact C-N 3.34Å; S179-D181 PolarHBondContact OG-N 2.94Å; D181-L183 PolarHBondContact O-N 3.06Å; D181-L184 PolarHBondContact O-N 2.84Å; D181-L185 PolarHBondContact O-N 2.79Å
182	D	28.8	Very low	26.6	Very low	55 Å²	55	128.9 Å²	128.9	29%	0.294	67%	0.671	S	S	.	*	H	α-helix	trans	-65.8	-26.3	-179.8	-110	-20	0	0	0	111.9	Y178 L184 R186	Y178-D182 WeakPolarHBondContact O-CB 3.44Å; D182-L184 VanDerWaalsContact C-N 3.28Å; D182-L184 PolarHBondContact O-N 2.61Å; D182-R186 WeakPolarHBondContact O-CB 3.47Å; D182-R186 WeakPolarHBondContact O-CG 3.3Å; D182-R186 PolarHBondContact O-N 3.15Å; D182-R186 WeakPolarHBondContact OD1-CG 3.38Å; D182-R186 IonicContact OD1-CZ 3.79Å; D182-R186 IonicContact OD1-NE 3.94Å; D182-R186 PolarHBondContact OD1-NE 3.25Å; D182-R186 IonicContact OD1-NH2 2.8Å; D182-R186 PolarHBondContact OD1-NH2 2.97Å; D182-R186 IonicContact OD2-CZ 3.45Å; D182-R186 IonicContact OD2-NE 2.71Å; D182-R186 PolarHBondContact OD2-NE 3.24Å; D182-R186 IonicContact OD2-NH2 3.32Å; D182-R186 PolarHBondContact OD2-NH2 3.26Å
183	L	29.4	Very low	26.4	Very low	112 Å²	112	133.6 Å²	133.6	59%	0.586	68%	0.68	S	S	*	*	H	α-helix	trans	-74.7	-16.1	176.1	-158.7	135.7	0	0	0	113.2	I177 D181	I177-L183 HydrophobicContact CD1-CD1 3.76Å; I177-L183 HydrophobicContact CG1-CD1 4.32Å; I177-L183 HydrophobicContact CG2-CD1 3.78Å; D181-L183 PolarHBondContact O-N 3.06Å
184	L	27.9	Very low	26.2	Very low	145 Å²	145	132.5 Å²	132.5	76%	0.759	68%	0.684	S	S	*	*	H	α-helix	trans	-103	-17.6	177	-69.9	172.6	0	0	0	113.8	D181 D182	D181-L184 PolarHBondContact O-N 2.84Å; D182-L184 VanDerWaalsContact C-N 3.28Å; D182-L184 PolarHBondContact O-N 2.61Å
185	L	26.7	Very low	26	Very low	137 Å²	137	133.9 Å²	133.9	72%	0.717	70%	0.7	S	S	*	*	H	α-helix	trans	-106.1	-24.2	-175.3	-78.5	160.8	0	0	0	115.3	D181 R187	D181-L185 PolarHBondContact O-N 2.79Å; L185-R187 PolarHBondContact O-N 3.41Å
186	R	27.2	Very low	25.8	Very low	181 Å²	181	133.5 Å²	133.5	68%	0.683	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	14.4	-169.6	-68	-157.2	-170.9	-164.5	15.7	118	D182	D182-R186 WeakPolarHBondContact O-CB 3.47Å; D182-R186 WeakPolarHBondContact O-CG 3.3Å; D182-R186 PolarHBondContact O-N 3.15Å; D182-R186 WeakPolarHBondContact OD1-CG 3.38Å; D182-R186 IonicContact OD1-CZ 3.79Å; D182-R186 IonicContact OD1-NE 3.94Å; D182-R186 PolarHBondContact OD1-NE 3.25Å; D182-R186 IonicContact OD1-NH2 2.8Å; D182-R186 PolarHBondContact OD1-NH2 2.97Å; D182-R186 IonicContact OD2-CZ 3.45Å; D182-R186 IonicContact OD2-NE 2.71Å; D182-R186 PolarHBondContact OD2-NE 3.24Å; D182-R186 IonicContact OD2-NH2 3.32Å; D182-R186 PolarHBondContact OD2-NH2 3.26Å
187	R	29.1	Very low	25.4	Very low	229 Å²	229	138.9 Å²	138.9	86%	0.864	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	17.5	-178.7	-139.5	176.6	-172	-179.8	2.6	115.8	L185	L185-R187 PolarHBondContact O-N 3.41Å
188	W	25.8	Very low	25.2	Very low	239 Å²	239	142.4 Å²	142.4	91%	0.905	74%	0.738	S	S	*	*	S	Bend	trans	-132.1	49.5	-176	-106.9	60.5	0	0	0	113.3
189	S	24.9	Very low	25	Very low	113 Å²	113	138.1 Å²	138.1	79%	0.79	74%	0.74	S	S	*	*			trans	-157	119.1	171.6	58.9	0	0	0	0	112.2
190	G	24.2	Very low	24.8	Very low	76 Å²	76	143.2 Å²	143.2	78%	0.784	76%	0.761	S	S	*	*			trans	133.8	110.4	169.2	0	0	0	0	0	115.7
191	N	23.4	Very low	24.5	Very low	160 Å²	160	142.2 Å²	142.2	86%	0.856	76%	0.764	S	S	*	*			trans	-20.2	151.8	158.9	-53.2	-21.8	0	0	0	116.3
192	V	24.8	Very low	24.3	Very low	133 Å²	133	146.2 Å²	146.2	81%	0.806	78%	0.778	S	S	*	*				-144.6	160.4	55.7	165.6	0	0	0	0	113.5
193	Q	22.4	Very low	24.1	Very low	176 Å²	176	147.1 Å²	147.1	82%	0.822	80%	0.801	S	S	*	*			trans	-72.4	143.8	-177.7	-52.3	127.6	-45.2	0	0	113.7
194	S	23.6	Very low	23.9	Very low	116 Å²	116	153 Å²	153	81%	0.811	82%	0.817	S	S	*	*				173.2	161.4	115.3	45.9	0	0	0	0	112.9
195	C	21	Very low	23.7	Very low	122 Å²	122	153.1 Å²	153.1	82%	0.824	82%	0.817	S	S	*	*			trans	-14.4	143.5	175	-52.2	0	0	0	0	118.8
196	T	22.1	Very low	23.6	Very low	135 Å²	135	151.8 Å²	151.8	83%	0.828	82%	0.817	S	S	*	*			cis	-151.7	161	30.8	-51.4	0	0	0	0	112.2	V198	T196-V198 PolarHBondContact O-N 2.84Å
197	R	20	Very low	23.5	Very low	243 Å²	243	151.5 Å²	151.5	92%	0.917	82%	0.823	S	S	*	*			trans	-63.1	122.1	178.1	-73.2	176.4	170.7	167.1	-4.2	113.7
198	V	21.8	Very low	23.1	Very low	147 Å²	147	147 Å²	147	89%	0.891	82%	0.815	S	S	*	*			trans	-129.6	130.1	137.9	179.1	0	0	0	0	106.8	T196	T196-V198 PolarHBondContact O-N 2.84Å
199	A	19.6	Very low	23	Very low	89 Å²	89	139.6 Å²	139.6	74%	0.736	80%	0.797	S	S	*	*			trans	-99.5	132.1	-179.9	0	0	0	0	0	110.7
200	L	23	Very low	22.8	Very low	174 Å²	174	143.1 Å²	143.1	91%	0.911	80%	0.798	S	S	*	*			trans	-167.3	154.6	143	-103.2	163.6	0	0	0	109
201	S	21.1	Very low	22.7	Very low	95 Å²	95	146.9 Å²	146.9	66%	0.664	79%	0.793	S	S	*	*			trans	-88.2	131.2	-156.4	53.8	0	0	0	0	115.6
202	H	23.9	Very low	22.7	Very low	193 Å²	193	144.2 Å²	144.2	89%	0.894	79%	0.794	S	S	*	*	S	Bend	trans	46.9	120.9	153	-56.7	-67.1	0	0	0	119.8
203	G	23.9	Very low	22.6	Very low	74 Å²	74	143.5 Å²	143.5	76%	0.763	78%	0.784	S	S	*	*			trans	154.2	-14.2	148.8	0	0	0	0	0	119.6
204	Y	24.8	Very low	22.6	Very low	237 Å²	237	138.9 Å²	138.9	93%	0.929	78%	0.784	S	S	*	*			trans	-97.7	112.8	-168.8	-70.1	-82.9	0	0	0	114.3
205	L	25.6	Very low	22.6	Very low	146 Å²	146	139.8 Å²	139.8	76%	0.764	78%	0.779	S	S	*	*			trans	-112.9	144.1	155.8	-93	163.3	0	0	0	108.2
206	P	24.1	Very low	22.6	Very low	109 Å²	109	146.1 Å²	146.1	71%	0.708	79%	0.786	S	S	*	*			trans	-79.6	134	-165	30.3	-34.7	0	0	0	113	L208	P206-L208 PolarHBondContact O-N 2.92Å
207	Q	25.1	Very low	22.5	Very low	176 Å²	176	143.8 Å²	143.8	82%	0.822	78%	0.78	S	S	*	*			trans	-72	115.4	160.4	-74.2	-174	-17.3	0	0	109.2	T209	Q207-T209 VanDerWaalsContact C-N 3.28Å; Q207-T209 PolarHBondContact O-N 2.89Å
208	L	21.3	Very low	22.6	Very low	133 Å²	133	141.2 Å²	141.2	70%	0.696	78%	0.778	S	S	*	*			trans	-77.6	77.4	173.3	-94.1	164.8	0	0	0	110.5	P206 F210	P206-L208 PolarHBondContact O-N 2.92Å; L208-F210 HydrophobicContact CB-CE2 4.27Å; L208-F210 HydrophobicContact CD2-CE2 4.36Å; L208-F210 HydrophobicContact CD2-CZ 4.48Å; L208-F210 PolarHBondContact O-N 2.87Å; L208-F210 VanDerWaalsContact O-N 3.15Å
209	T	22.5	Very low	22.6	Very low	85 Å²	85	142 Å²	142	52%	0.521	78%	0.777	S	S	.	*			trans	-78	95.7	176.9	-45.3	0	0	0	0	110.2	Q207 F211	Q207-T209 VanDerWaalsContact C-N 3.28Å; Q207-T209 PolarHBondContact O-N 2.89Å; T209-F211 VanDerWaalsContact C-N 3.3Å; T209-F211 HydrophobicContact CG2-CD2 3.64Å; T209-F211 HydrophobicContact CG2-CE2 3.35Å; T209-F211 HydrophobicContact CG2-CG 4.42Å; T209-F211 HydrophobicContact CG2-CZ 3.94Å; T209-F211 PolarHBondContact O-N 2.88Å
210	F	21.5	Very low	22.7	Very low	186 Å²	186	143.6 Å²	143.6	82%	0.816	78%	0.779	S	S	*	*			trans	-71	82.5	175.9	-81.4	-82.2	0	0	0	111.9	L208 A212	L208-F210 HydrophobicContact CB-CE2 4.27Å; L208-F210 HydrophobicContact CD2-CE2 4.36Å; L208-F210 HydrophobicContact CD2-CZ 4.48Å; L208-F210 PolarHBondContact O-N 2.87Å; L208-F210 VanDerWaalsContact O-N 3.15Å; F210-A212 PolarHBondContact O-N 3.39Å
211	F	22.3	Very low	22.6	Very low	155 Å²	155	141.4 Å²	141.4	68%	0.68	77%	0.773	S	S	*	*			trans	-72.4	102.8	172.2	-84.8	-76	0	0	0	111.6	T209 I213	T209-F211 VanDerWaalsContact C-N 3.3Å; T209-F211 HydrophobicContact CG2-CD2 3.64Å; T209-F211 HydrophobicContact CG2-CE2 3.35Å; T209-F211 HydrophobicContact CG2-CG 4.42Å; T209-F211 HydrophobicContact CG2-CZ 3.94Å; T209-F211 PolarHBondContact O-N 2.88Å; F211-I213 HydrophobicContact CB-CD1 3.84Å; F211-I213 HydrophobicContact CB-CG1 4.01Å; F211-I213 HydrophobicContact CD1-CD1 4.38Å; F211-I213 HydrophobicContact CD1-CG1 4.4Å; F211-I213 HydrophobicContact CG-CD1 4.27Å; F211-I213 PolarHBondContact O-N 2.74Å
212	A	21.6	Very low	22.7	Very low	104 Å²	104	144.4 Å²	144.4	86%	0.86	78%	0.781	S	S	*	*			trans	-76.8	69	166.6	0	0	0	0	0	110.9	F210 G214	F210-A212 PolarHBondContact O-N 3.39Å; A212-G214 PolarHBondContact O-N 2.99Å
213	I	24.2	Very low	22.6	Very low	118 Å²	118	141 Å²	141	61%	0.605	77%	0.774	S	S	*	*			trans	-73.7	91.7	178.3	-69.8	158.1	0	0	0	109.6	F211 N215	F211-I213 HydrophobicContact CB-CD1 3.84Å; F211-I213 HydrophobicContact CB-CG1 4.01Å; F211-I213 HydrophobicContact CD1-CD1 4.38Å; F211-I213 HydrophobicContact CD1-CG1 4.4Å; F211-I213 HydrophobicContact CG-CD1 4.27Å; F211-I213 PolarHBondContact O-N 2.74Å; I213-N215 HydrophobicContact CG2-CB 3.82Å; I213-N215 PolarHBondContact O-N 2.78Å; I213-N215 VanDerWaalsContact O-N 3.08Å
214	G	21	Very low	22.5	Very low	79 Å²	79	142.2 Å²	142.2	81%	0.814	77%	0.771	S	S	*	*			trans	-78.9	46.4	171.2	0	0	0	0	0	113.6	A212	A212-G214 PolarHBondContact O-N 2.99Å
215	N	24	Very low	22.5	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	76%	0.763	S	S	*	*			trans	-96.5	123.8	177.4	-81	-9.1	0	0	0	111.4	I213 A217	I213-N215 HydrophobicContact CG2-CB 3.82Å; I213-N215 PolarHBondContact O-N 2.78Å; I213-N215 VanDerWaalsContact O-N 3.08Å; N215-A217 PolarHBondContact O-N 3.44Å
216	R	20.8	Very low	22.4	Very low	256 Å²	256	135.3 Å²	135.3	97%	0.966	76%	0.764	S	S	*	*			trans	-69.6	104.7	158.3	-71.9	176.8	172.3	175.5	-4.6	108.2
217	A	21.6	Very low	22.4	Very low	85 Å²	85	136.2 Å²	136.2	70%	0.702	77%	0.767	S	S	*	*			trans	-139.8	132	168.3	0	0	0	0	0	108.5	N215	N215-A217 PolarHBondContact O-N 3.44Å
218	H	21.2	Very low	22.3	Very low	190 Å²	190	131.7 Å²	131.7	88%	0.88	76%	0.755	S	S	*	*			trans	-78.6	139.2	179.4	-63.7	-108.5	0	0	0	109.6
219	L	22.4	Very low	22.5	Very low	164 Å²	164	133 Å²	133	86%	0.859	76%	0.763	S	S	*	*			trans	-113.9	135.3	162	-79.4	167.4	0	0	0	108.1
220	P	21.9	Very low	22.6	Very low	121 Å²	121	132.2 Å²	132.2	79%	0.786	77%	0.772	S	S	*	*			trans	-69.1	143.1	175.2	30.3	-33.7	0	0	0	109.9
221	V	20.6	Very low	22.7	Very low	129 Å²	129	128.6 Å²	128.6	78%	0.782	77%	0.77	S	S	*	*			trans	-83.7	127.7	165.3	-174	0	0	0	0	107.1	V223	V221-V223 HydrophobicContact CG1-CG2 3.67Å
222	D	22.7	Very low	22.8	Very low	157 Å²	157	128.5 Å²	128.5	84%	0.84	78%	0.775	S	S	*	*			trans	-112.7	142.1	161.5	-156.3	-19.1	0	0	0	108.5
223	V	21.3	Very low	22.9	Very low	122 Å²	122	129.9 Å²	129.9	74%	0.739	77%	0.773	S	S	*	*			trans	-126.8	97.7	-160.3	-175.8	0	0	0	0	110.8	V221	V221-V223 HydrophobicContact CG1-CG2 3.67Å
224	S	22.1	Very low	22.9	Very low	99 Å²	99	128.5 Å²	128.5	69%	0.692	77%	0.774	S	S	*	*			trans	-156.7	152.4	167.3	49.6	0	0	0	0	111.1
225	S	25.4	Very low	23.1	Very low	110 Å²	110	133 Å²	133	77%	0.769	77%	0.773	S	S	*	*			trans	59.2	107.7	-169.2	56.2	0	0	0	0	114.6
226	V	22.7	Very low	23.2	Very low	128 Å²	128	130.8 Å²	130.8	78%	0.776	77%	0.774	S	S	*	*			cis	59.1	113.8	24.4	-167.5	0	0	0	0	109.7
227	T	23.5	Very low	23.3	Very low	128 Å²	128	123.7 Å²	123.7	79%	0.785	76%	0.763	S	S	*	*			cis	-157	171.6	25.1	12	0	0	0	0	108.3
228	S	23.9	Very low	23.8	Very low	82 Å²	82	124.2 Å²	124.2	57%	0.573	76%	0.76	S	S	*	*			cis	-171.9	177.2	-10.9	48.8	0	0	0	0	111.2
229	N	25.5	Very low	24.1	Very low	160 Å²	160	123.6 Å²	123.6	86%	0.856	76%	0.757	S	S	*	*			trans	74	127.2	154.7	-59.9	-14.3	0	0	0	120.6
230	G	24.1	Very low	24.1	Very low	68 Å²	68	122.7 Å²	122.7	70%	0.701	75%	0.752	S	S	*	*			trans	109.7	76.3	166.1	0	0	0	0	0	113.9
231	S	24.3	Very low	24.1	Very low	111 Å²	111	123 Å²	123	78%	0.776	75%	0.747	S	S	*	*				63.7	132.4	69.5	-58.3	0	0	0	0	113.8
232	L	24.2	Very low	24.2	Very low	153 Å²	153	123.2 Å²	123.2	80%	0.801	74%	0.744	S	S	*	*			cis	-165.2	167.8	1.9	-116.8	169.7	0	0	0	110.1
233	V	24.5	Very low	24.2	Very low	132 Å²	132	122.9 Å²	122.9	80%	0.8	74%	0.742	S	S	*	*			trans	65.9	129.3	159.4	164.5	0	0	0	0	117.1
234	S	24.2	Very low	24.2	Very low	90 Å²	90	123.6 Å²	123.6	63%	0.629	75%	0.751	S	S	*	*			cis	-166.4	-164.6	-16.5	-147.5	0	0	0	0	107.2
235	E	25	Very low	24.2	Very low	173 Å²	173	126.3 Å²	126.3	81%	0.808	76%	0.756	S	S	*	*			cis	-152	-130.7	7.8	-161	115.5	-82	0	0	111.5
236	A	26.3	Very low	24.2	Very low	88 Å²	88	130.5 Å²	130.5	73%	0.727	76%	0.761	S	S	*	*			trans	-80.5	145.8	-175.6	0	0	0	0	0	113.6
237	S	22.3	Very low	24.3	Very low	107 Å²	107	130.2 Å²	130.2	75%	0.748	76%	0.762	S	S	*	*			cis	82.5	161.8	13.2	-123.4	0	0	0	0	115.2
238	P	31.8	Very low	24.2	Very low	96 Å²	96	129.1 Å²	129.1	62%	0.623	77%	0.766	S	S	*	*				-141.4	148.9	-106.1	37.7	-16.9	0	0	0	118.4
239	H	27.1	Very low	24.3	Very low	177 Å²	177	128.9 Å²	128.9	82%	0.819	78%	0.776	S	S	*	*			trans	-140.2	133.4	167.7	-61	-62.9	0	0	0	109.8
240	L	22.5	Very low	24.2	Very low	145 Å²	145	132.2 Å²	132.2	76%	0.759	78%	0.777	S	S	*	*			cis	90.6	135.6	48.8	-86.3	166.5	0	0	0	114.7
241	N	22.2	Very low	24.2	Very low	128 Å²	128	135.5 Å²	135.5	68%	0.684	78%	0.777	S	S	*	*			trans	77	120.3	161.9	-67.3	-8.3	0	0	0	122.2
242	N	23	Very low	24.2	Very low	133 Å²	133	135.4 Å²	135.4	71%	0.711	78%	0.783	S	S	*	*			trans	74	123.5	130.5	-59.7	-12.6	0	0	0	122.6
243	N	21.8	Very low	24.1	Very low	151 Å²	151	135.6 Å²	135.6	81%	0.807	78%	0.78	S	S	*	*			trans	15.1	121.6	133.3	-53.7	-14	0	0	0	118.6
244	C	21.7	Very low	24.2	Very low	137 Å²	137	138.7 Å²	138.7	93%	0.926	79%	0.786	S	S	*	*				-165.3	167.4	118.6	-116.3	0	0	0	0	114.4
245	I	21.4	Very low	24.1	Very low	155 Å²	155	142 Å²	142	80%	0.795	80%	0.795	S	S	*	*			trans	-88.2	159.8	-167.9	-69.1	162.7	0	0	0	112.3
246	F	25.5	Very low	24.2	Very low	198 Å²	198	138.8 Å²	138.8	87%	0.868	79%	0.789	S	S	*	*			trans	-44.8	156	171.7	-72.4	-92.6	0	0	0	115.8
247	P	25.1	Very low	24.2	Very low	122 Å²	122	144.9 Å²	144.9	79%	0.792	80%	0.8	S	S	*	*				-117.8	154.9	130	35.8	-31.1	0	0	0	112.6
248	A	22.3	Very low	24.3	Very low	106 Å²	106	143.4 Å²	143.4	88%	0.876	80%	0.801	S	S	*	*			trans	-97	152.4	-176.1	0	0	0	0	0	113.7
249	G	25.3	Very low	23.9	Very low	76 Å²	76	144.8 Å²	144.8	78%	0.784	81%	0.814	S	S	*	*			trans	-133.4	84.7	-176.8	0	0	0	0	0	114.7
250	R	24.2	Very low	23.6	Very low	231 Å²	231	141.6 Å²	141.6	87%	0.872	81%	0.811	S	S	*	*			trans	30	105.6	151.8	-64.6	-173.2	178.8	-174.5	-0.7	118.1
251	L	23.4	Very low	23.7	Very low	137 Å²	137	140.1 Å²	140.1	72%	0.717	81%	0.81	S	S	*	*				80.4	104.5	91.5	-82.6	168.7	0	0	0	115.4	Q253	L251-Q253 HydrophobicContact CD2-CG 3.82Å
252	A	24.5	Very low	23.8	Very low	108 Å²	108	142.7 Å²	142.7	89%	0.893	82%	0.818	S	S	*	*			trans	-138.2	92.9	149.5	0	0	0	0	0	107.9
253	Q	22.4	Very low	23.8	Very low	157 Å²	157	146 Å²	146	73%	0.734	82%	0.821	S	S	*	*			trans	-87.7	136.3	173.8	-67.9	168.2	-54	0	0	109.5	L251	L251-Q253 HydrophobicContact CD2-CG 3.82Å
254	Q	25.9	Very low	23.9	Very low	198 Å²	198	145.2 Å²	145.2	93%	0.925	82%	0.824	S	S	*	*				-162.6	150.5	129.7	-108	163.9	17.2	0	0	112.1
255	L	23.3	Very low	23.9	Very low	159 Å²	159	143.9 Å²	143.9	83%	0.832	81%	0.811	S	S	*	*			trans	-99.8	-154	-158.8	-64.1	158.6	0	0	0	111.4
256	P	26.6	Very low	24	Very low	105 Å²	105	140.4 Å²	140.4	68%	0.682	81%	0.806	S	S	*	*				-133.2	130.2	-99.9	39.4	-20.7	0	0	0	115.7
257	F	26.1	Very low	23.9	Very low	216 Å²	216	137.4 Å²	137.4	95%	0.947	80%	0.799	S	S	*	*			trans	-143.4	149	164.9	-64.3	-91.4	0	0	0	108.7
258	G	23.8	Very low	23.8	Very low	76 Å²	76	142 Å²	142	78%	0.784	80%	0.802	S	S	*	*			cis	-168.7	148.5	-6.4	0	0	0	0	0	108.8
259	S	23	Very low	24	Very low	126 Å²	126	145.2 Å²	145.2	88%	0.881	80%	0.804	S	S	*	*			trans	-65.3	126.7	-166.5	51.1	0	0	0	0	116.2
260	S	22.4	Very low	23.9	Very low	110 Å²	110	149.6 Å²	149.6	77%	0.769	80%	0.804	S	S	*	*			trans	166.9	146.7	139	-177.5	0	0	0	0	112.1
261	P	24.4	Very low	24	Very low	113 Å²	113	144.9 Å²	144.9	73%	0.734	80%	0.801	S	S	*	*			cis	-114.5	175.7	-27.7	34.3	-20	0	0	0	112
262	Q	24.5	Very low	24.1	Very low	183 Å²	183	148.3 Å²	148.3	86%	0.855	81%	0.805	S	S	*	*			trans	-67.9	150.8	-173	-67	111.7	-39	0	0	115.4
263	R	22.3	Very low	24.1	Very low	202 Å²	202	149 Å²	149	76%	0.762	80%	0.795	S	S	*	*			trans	-66	143.2	156.3	-68.2	176.8	174.3	175.9	-4.1	110.1	T265	R263-T265 HydrophobicContact CB-CG2 4.17Å; R263-T265 PolarHBondContact O-N 3.34Å
264	P	23.6	Very low	24.3	Very low	134 Å²	134	146.4 Å²	146.4	87%	0.87	79%	0.791	S	S	*	*			trans	-71.7	81.8	149.4	-5.1	22.9	0	0	0	108.6
265	T	23.2	Very low	24.3	Very low	109 Å²	109	141.7 Å²	141.7	67%	0.669	78%	0.78	S	S	*	*			trans	-106.5	78.7	162.9	31.3	0	0	0	0	108.3	R263	R263-T265 HydrophobicContact CB-CG2 4.17Å; R263-T265 PolarHBondContact O-N 3.34Å
266	A	22	Very low	24.5	Very low	83 Å²	83	143.3 Å²	143.3	69%	0.686	78%	0.78	S	S	*	*			trans	-155.6	152.2	174	0	0	0	0	0	107.8
267	L	23.3	Very low	24.5	Very low	135 Å²	135	147.1 Å²	147.1	71%	0.707	79%	0.789	S	S	*	*	S	Bend	trans	59.4	91.6	-172.5	-47.2	169.9	0	0	0	111.2
268	Y	24.5	Very low	24.6	Very low	219 Å²	219	145.4 Å²	145.4	86%	0.859	79%	0.789	S	S	*	*	S	Bend		-152.1	58.5	54.2	-72.8	-81.9	0	0	0	113.2	E270	Y268-E270 VanDerWaalsContact C-N 3.3Å
269	D	24.7	Very low	24.8	Very low	173 Å²	173	145 Å²	145	93%	0.925	79%	0.785	S	S	*	*			trans	-98.2	38.9	163.6	-79.4	-47.7	0	0	0	111.4
270	E	24.6	Very low	24.9	Very low	168 Å²	168	150 Å²	150	79%	0.785	79%	0.79	S	S	*	*			trans	-92.1	101.1	161.2	-75	-169.9	169.8	0	0	108.8	Y268 Y272	Y268-E270 VanDerWaalsContact C-N 3.3Å; E270-Y272 PolarHBondContact O-N 3.34Å; E270-Y272 VanDerWaalsContact O-N 3.12Å
271	V	26	Very low	25.3	Very low	132 Å²	132	147.2 Å²	147.2	80%	0.8	78%	0.78	S	S	*	*			trans	-56.1	115.4	159.5	174.4	0	0	0	0	106.6	N273	V271-N273 PolarHBondContact O-N 3.14Å
272	Y	25	Very low	25.4	Very low	208 Å²	208	147.8 Å²	147.8	82%	0.816	78%	0.783	S	S	*	*			trans	-65.2	87.9	176.6	-172.6	-90	0	0	0	109.1	E270 P274	E270-Y272 PolarHBondContact O-N 3.34Å; E270-Y272 VanDerWaalsContact O-N 3.12Å; Y272-P274 HydrophobicContact CE1-CB 4.27Å; Y272-P274 WeakPolarHBondContact O-CD 3.32Å
273	N	25.1	Very low	25.5	Very low	124 Å²	124	144.3 Å²	144.3	66%	0.663	78%	0.777	S	S	*	*			trans	-84.4	111.6	177.1	-160.7	6.5	0	0	0	105.7	V271 S275	V271-N273 PolarHBondContact O-N 3.14Å; N273-S275 PolarHBondContact O-N 2.83Å
274	P	25.9	Very low	25.6	Very low	102 Å²	102	140.5 Å²	140.5	66%	0.662	78%	0.778	S	S	*	*			trans	-74.7	71.9	-173.7	31.4	-35.4	0	0	0	110.2	Y272 K276	Y272-P274 HydrophobicContact CE1-CB 4.27Å; Y272-P274 WeakPolarHBondContact O-CD 3.32Å; P274-K276 PolarHBondContact O-N 3.35Å
275	S	26.5	Very low	25.7	Very low	99 Å²	99	143 Å²	143	69%	0.692	78%	0.78	S	S	*	*			trans	-59.4	120.4	172.5	-66.1	0	0	0	0	108.7	N273	N273-S275 PolarHBondContact O-N 2.83Å
276	K	26.5	Very low	25.8	Very low	192 Å²	192	141.8 Å²	141.8	84%	0.835	78%	0.782	S	S	*	*	S	Bend	trans	-28.4	148.2	174.1	-56.8	164.4	-174.9	174.7	0	113.8	P274	P274-K276 PolarHBondContact O-N 3.35Å
277	E	27	Very low	25.9	Very low	186 Å²	186	141.8 Å²	141.8	87%	0.869	78%	0.775	S	S	*	*			trans	86.3	73.3	176.4	-54.4	171.1	-152.1	0	0	116.2
278	L	28.9	Very low	25.9	Very low	179 Å²	179	143.1 Å²	143.1	94%	0.937	78%	0.778	S	S	*	*			trans	-161.8	129.7	148.4	-111.9	162.7	0	0	0	112.2
279	G	27.1	Very low	26.1	Very low	68 Å²	68	141.2 Å²	141.2	70%	0.701	77%	0.774	S	S	*	*			trans	55	113.1	155.2	0	0	0	0	0	120.1	G281	G279-G281 VanDerWaalsContact C-N 3.34Å; G279-G281 PolarHBondContact O-N 3.37Å
280	K	26.4	Very low	26.3	Very low	230 Å²	230	138.9 Å²	138.9	100%	1	76%	0.756	S	S	*	*	S	Bend	trans	-69.9	87	161	-69.9	179.7	-179.4	175.9	0	110.5
281	G	28.9	Very low	26.2	Very low	53 Å²	53	133 Å²	133	55%	0.546	74%	0.737	S	S	.	*	S	Bend	trans	-150.2	159.4	174.3	0	0	0	0	0	111.8	G279	G279-G281 VanDerWaalsContact C-N 3.34Å; G279-G281 PolarHBondContact O-N 3.37Å
282	P	28.3	Very low	26.1	Very low	125 Å²	125	136.5 Å²	136.5	81%	0.812	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-63.5	134.8	173.9	27.8	-33.4	0	0	0	109.5
283	P	25.3	Very low	26.2	Very low	110 Å²	110	130 Å²	130	71%	0.714	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-62.9	140.9	-179.4	26.2	-34.2	0	0	0	110.2	M285	P283-M285 PolarHBondContact O-N 2.96Å
284	P	26	Very low	26.3	Very low	122 Å²	122	132.7 Å²	132.7	79%	0.792	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-60.3	129.3	171.8	26.7	-33.3	0	0	0	108.5	A286	P284-A286 VanDerWaalsContact C-N 3.28Å; P284-A286 PolarHBondContact O-N 3.33Å
285	M	24.6	Very low	26.3	Very low	185 Å²	185	134 Å²	134	91%	0.911	72%	0.715	S	S	*	*			trans	-67.4	88.6	176.5	-74.7	-170.5	-71.1	0	0	109.9	P283 C287	P283-M285 PolarHBondContact O-N 2.96Å; M285-C287 PolarHBondContact O-N 3.11Å; M285-C287 VanDerWaalsContact O-N 3.13Å
286	A	24.6	Very low	26.3	Very low	85 Å²	85	131 Å²	131	70%	0.702	70%	0.695	S	S	*	*			trans	-50.2	119.6	168.7	0	0	0	0	0	108.1	P284 E288	P284-A286 VanDerWaalsContact C-N 3.28Å; P284-A286 PolarHBondContact O-N 3.33Å; A286-E288 VanDerWaalsContact C-N 3.3Å; A286-E288 PolarHBondContact O-N 3.37Å
287	C	24.4	Very low	26.3	Very low	82 Å²	82	127 Å²	127	55%	0.554	69%	0.688	S	S	*	*			trans	-84.1	74.2	-157.9	-151.7	0	0	0	0	111.9	M285 K289 F290	M285-C287 PolarHBondContact O-N 3.11Å; M285-C287 VanDerWaalsContact O-N 3.13Å; C287-K289 PolarHBondContact O-N 2.81Å; C287-F290 HydrophobicContact CB-CD2 3.9Å; C287-F290 HydrophobicContact CB-CE2 4.44Å; C287-F290 PolarHBondContact O-N 3.24Å
288	E	24	Very low	26.4	Very low	163 Å²	163	122.9 Å²	122.9	76%	0.762	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-52.6	-28.1	-176.6	-63.9	-170.9	126.6	0	0	113.5	A286 F290 A291	A286-E288 VanDerWaalsContact C-N 3.3Å; A286-E288 PolarHBondContact O-N 3.37Å; E288-F290 PolarHBondContact O-N 3.44Å; E288-A291 VanDerWaalsContact O-CB 3.26Å; E288-A291 WeakPolarHBondContact O-CB 3.46Å; E288-A291 PolarHBondContact O-N 2.91Å
289	K	28.5	Very low	26.3	Very low	180 Å²	180	119.3 Å²	119.3	78%	0.783	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-57.1	-18.9	174	-70.3	-176.7	175.5	178.1	0	114.1	C287	C287-K289 PolarHBondContact O-N 2.81Å
290	F	28	Very low	26.4	Very low	123 Å²	123	123.6 Å²	123.6	54%	0.539	65%	0.645	S	S	.	*	G	3₁₀ helix	trans	-93.4	-8.7	174	-70.6	-83.1	0	0	0	114.8	C287 E288 W292 V293 R294	C287-F290 HydrophobicContact CB-CD2 3.9Å; C287-F290 HydrophobicContact CB-CE2 4.44Å; C287-F290 PolarHBondContact O-N 3.24Å; E288-F290 PolarHBondContact O-N 3.44Å; F290-W292 PolarHBondContact O-N 2.91Å; F290-V293 HydrophobicContact CD1-CG2 4.09Å; F290-V293 WeakPolarHBondContact O-CB 3.5Å; F290-V293 PolarHBondContact O-N 3.12Å; F290-R294 PolarHBondContact O-N 3.37Å
291	A	22.9	Very low	26.6	Very low	46 Å²	46	115 Å²	115	38%	0.38	61%	0.614	S	S	.	*	H	α-helix	trans	-60	-36.5	175.5	0	0	0	0	0	111.5	E288 R294 Q295	E288-A291 VanDerWaalsContact O-CB 3.26Å; E288-A291 WeakPolarHBondContact O-CB 3.46Å; E288-A291 PolarHBondContact O-N 2.91Å; A291-R294 PolarHBondContact O-N 3.32Å; A291-Q295 PolarHBondContact O-N 2.91Å
292	W	24	Very low	26.7	Very low	204 Å²	204	115.7 Å²	115.7	77%	0.773	61%	0.608	S	S	*	*	H	α-helix	trans	-70.8	-33.6	-179.7	-50	-3.6	0	0	0	111.4	F290 R294 Q295 S296	F290-W292 PolarHBondContact O-N 2.91Å; W292-R294 VanDerWaalsContact C-N 3.34Å; W292-R294 PolarHBondContact O-N 2.71Å; W292-Q295 PolarHBondContact O-N 3.1Å; W292-Q295 VanDerWaalsContact O-N 3.15Å; W292-S296 PolarHBondContact O-N 3.45Å; W292-S296 VanDerWaalsContact O-N 3.16Å
293	V	27.7	Very low	26.8	Very low	71 Å²	71	112.8 Å²	112.8	43%	0.43	59%	0.585	S	S	.	*	H	α-helix	trans	-62.8	-41.5	174	-177	0	0	0	0	110.6	F290 Q295 S296 Y299	F290-V293 HydrophobicContact CD1-CG2 4.09Å; F290-V293 WeakPolarHBondContact O-CB 3.5Å; F290-V293 PolarHBondContact O-N 3.12Å; V293-Q295 VanDerWaalsContact C-N 3.25Å; V293-Q295 PolarHBondContact O-N 3.24Å; V293-S296 WeakPolarHBondContact O-CB 3.45Å; V293-S296 PolarHBondContact O-N 2.72Å; V293-S296 VanDerWaalsContact O-N 3.15Å; V293-Y299 HydrophobicContact CG1-CD2 4.45Å; V293-Y299 VanDerWaalsContact O-CB 3.22Å; V293-Y299 WeakPolarHBondContact O-CB 3.5Å
294	R	27.1	Very low	26.9	Very low	181 Å²	181	110 Å²	110	68%	0.683	57%	0.571	S	S	*	*	H	α-helix	trans	-66	-24.4	175.4	-66.3	-176.5	177.4	-172.7	-0.3	113.5	F290 A291 W292 Y299	F290-R294 PolarHBondContact O-N 3.37Å; A291-R294 PolarHBondContact O-N 3.32Å; W292-R294 VanDerWaalsContact C-N 3.34Å; W292-R294 PolarHBondContact O-N 2.71Å; R294-Y299 HydrophobicContact CB-CE1 4.45Å; R294-Y299 HydrophobicContact CG-CE1 4.19Å
295	Q	26.7	Very low	27.3	Very low	130 Å²	130	107.9 Å²	107.9	61%	0.607	55%	0.55	S	S	*	.	H	α-helix	trans	-85	-14.9	174.7	-65.2	-170.4	12.2	0	0	113.9	A291 W292 V293	A291-Q295 PolarHBondContact O-N 2.91Å; W292-Q295 PolarHBondContact O-N 3.1Å; W292-Q295 VanDerWaalsContact O-N 3.15Å; V293-Q295 VanDerWaalsContact C-N 3.25Å; V293-Q295 PolarHBondContact O-N 3.24Å
296	S	25.3	Very low	27.5	Very low	37 Å²	37	102.6 Å²	102.6	26%	0.259	52%	0.523	S	S	.	.			trans	-52.4	132.9	-179	176.1	0	0	0	0	112.7	W292 V293 V298 Y299 R300	W292-S296 PolarHBondContact O-N 3.45Å; W292-S296 VanDerWaalsContact O-N 3.16Å; V293-S296 WeakPolarHBondContact O-CB 3.45Å; V293-S296 PolarHBondContact O-N 2.72Å; V293-S296 VanDerWaalsContact O-N 3.15Å; S296-V298 PolarHBondContact O-N 3.06Å; S296-V298 PolarHBondContact OG-N 3.27Å; S296-Y299 PolarHBondContact O-N 3.3Å; S296-Y299 VanDerWaalsContact O-N 3.12Å; S296-R300 PolarHBondContact O-N 3.36Å
297	P	26.3	Very low	27.7	Very low	106 Å²	106	105.3 Å²	105.3	69%	0.688	52%	0.521	S	S	*	.	H	α-helix	trans	-55.4	-32.6	171.2	-25.9	35	0	0	0	112.8	S301	P297-S301 VanDerWaalsContact O-CB 3.26Å; P297-S301 WeakPolarHBondContact O-CB 3.42Å; P297-S301 PolarHBondContact O-N 3.17Å; P297-S301 PolarHBondContact O-OG 3.05Å
298	V	29.6	Very low	28.1	Very low	100 Å²	100	104 Å²	104	61%	0.606	51%	0.51	S	S	*	.	H	α-helix	trans	-65	-52.9	175.7	-175.3	0	0	0	0	109.7	S296 R300 S301 V302	S296-V298 PolarHBondContact O-N 3.06Å; S296-V298 PolarHBondContact OG-N 3.27Å; V298-R300 PolarHBondContact O-N 3.19Å; V298-S301 PolarHBondContact O-N 3.4Å; V298-S301 VanDerWaalsContact O-N 3.08Å; V298-S301 PolarHBondContact O-OG 3.05Å; V298-V302 HydrophobicContact CG1-CG2 4.49Å; V298-V302 WeakPolarHBondContact O-CG2 3.46Å; V298-V302 PolarHBondContact O-N 2.97Å
299	Y	27.6	Very low	28.4	Very low	105 Å²	105	99.2 Å²	99.2	41%	0.412	49%	0.489	S	S	.	.	H	α-helix	trans	-61.2	-43.4	180	-166.8	-96.4	0	0	0	112	V293 R294 S296 S301 V302 N303	V293-Y299 HydrophobicContact CG1-CD2 4.45Å; V293-Y299 VanDerWaalsContact O-CB 3.22Å; V293-Y299 WeakPolarHBondContact O-CB 3.5Å; R294-Y299 HydrophobicContact CB-CE1 4.45Å; R294-Y299 HydrophobicContact CG-CE1 4.19Å; S296-Y299 PolarHBondContact O-N 3.3Å; S296-Y299 VanDerWaalsContact O-N 3.12Å; Y299-S301 VanDerWaalsContact C-N 3.34Å; Y299-S301 PolarHBondContact O-N 3.29Å; Y299-V302 PolarHBondContact O-N 3.5Å; Y299-N303 WeakPolarHBondContact O-CB 3.48Å; Y299-N303 PolarHBondContact O-N 3.49Å
300	R	29.1	Very low	28.4	Very low	158 Å²	158	94.9 Å²	94.9	60%	0.596	48%	0.478	S	S	*	.	H	α-helix	trans	-60.3	-41	172.6	-70.5	-176.5	176.3	-167.7	1	112.2	S296 V298 A304	S296-R300 PolarHBondContact O-N 3.36Å; V298-R300 PolarHBondContact O-N 3.19Å; R300-A304 WeakPolarHBondContact O-CB 3.12Å; R300-A304 PolarHBondContact O-N 2.92Å
301	S	29.8	Very low	28.3	Very low	50 Å²	50	90.5 Å²	90.5	35%	0.35	47%	0.468	S	S	.	.	H	α-helix	trans	-69.8	-34.5	178	81.8	0	0	0	0	113.3	P297 V298 Y299 K305	P297-S301 VanDerWaalsContact O-CB 3.26Å; P297-S301 WeakPolarHBondContact O-CB 3.42Å; P297-S301 PolarHBondContact O-N 3.17Å; P297-S301 PolarHBondContact O-OG 3.05Å; V298-S301 PolarHBondContact O-N 3.4Å; V298-S301 VanDerWaalsContact O-N 3.08Å; V298-S301 PolarHBondContact O-OG 3.05Å; Y299-S301 VanDerWaalsContact C-N 3.34Å; Y299-S301 PolarHBondContact O-N 3.29Å; S301-K305 WeakPolarHBondContact O-CB 3.48Å; S301-K305 WeakPolarHBondContact O-CD 3.25Å; S301-K305 WeakPolarHBondContact O-CG 3.22Å; S301-K305 PolarHBondContact O-N 2.84Å; S301-K305 VanDerWaalsContact O-N 3.09Å
302	V	30.2	Very low	28.7	Very low	67 Å²	67	94.7 Å²	94.7	41%	0.406	47%	0.474	S	S	.	.	H	α-helix	trans	-69.8	-48.7	175.3	170.6	0	0	0	0	109.7	V298 Y299 A304 K305 Q306	V298-V302 HydrophobicContact CG1-CG2 4.49Å; V298-V302 WeakPolarHBondContact O-CG2 3.46Å; V298-V302 PolarHBondContact O-N 2.97Å; Y299-V302 PolarHBondContact O-N 3.5Å; V302-A304 PolarHBondContact O-N 3.33Å; V302-K305 CarbonylContact O-C 3.56Å; V302-K305 WeakPolarHBondContact O-CA 3.49Å; V302-K305 WeakPolarHBondContact O-CB 3.46Å; V302-K305 PolarHBondContact O-N 2.87Å; V302-K305 VanDerWaalsContact O-N 3.11Å; V302-Q306 HydrophobicContact CG1-CG 4.41Å; V302-Q306 WeakPolarHBondContact O-CG 3.49Å; V302-Q306 PolarHBondContact O-N 3.39Å
303	N	30.2	Very low	29	Very low	64 Å²	64	88.3 Å²	88.3	34%	0.342	45%	0.454	S	S	.	.	H	α-helix	trans	-66.2	-40.1	-179.4	-159.1	-26.6	0	0	0	112	Y299 K305 Q306 Q307	Y299-N303 WeakPolarHBondContact O-CB 3.48Å; Y299-N303 PolarHBondContact O-N 3.49Å; N303-K305 VanDerWaalsContact C-N 3.31Å; N303-K305 PolarHBondContact O-N 3.41Å; N303-Q306 PolarHBondContact O-N 3.3Å; N303-Q307 PolarHBondContact O-N 2.86Å
304	A	28.6	Very low	29	Very low	51 Å²	51	87.2 Å²	87.2	42%	0.421	45%	0.45	S	S	.	.	H	α-helix	trans	-64.9	-32.2	172.2	0	0	0	0	0	113.1	R300 V302 T308	R300-A304 WeakPolarHBondContact O-CB 3.12Å; R300-A304 PolarHBondContact O-N 2.92Å; V302-A304 PolarHBondContact O-N 3.33Å; A304-T308 PolarHBondContact O-N 3.3Å; A304-T308 VanDerWaalsContact O-N 3.14Å; A304-T308 PolarHBondContact O-OG1 3.44Å
305	K	33.9	Very low	29.2	Very low	77 Å²	77	82.7 Å²	82.7	34%	0.335	44%	0.439	S	S	.	.	H	α-helix	trans	-71.2	-41.9	170.8	-78.1	169	-178	171.1	0	111.2	S301 V302 N303 T308 I309	S301-K305 WeakPolarHBondContact O-CB 3.48Å; S301-K305 WeakPolarHBondContact O-CD 3.25Å; S301-K305 WeakPolarHBondContact O-CG 3.22Å; S301-K305 PolarHBondContact O-N 2.84Å; S301-K305 VanDerWaalsContact O-N 3.09Å; V302-K305 CarbonylContact O-C 3.56Å; V302-K305 WeakPolarHBondContact O-CA 3.49Å; V302-K305 WeakPolarHBondContact O-CB 3.46Å; V302-K305 PolarHBondContact O-N 2.87Å; V302-K305 VanDerWaalsContact O-N 3.11Å; N303-K305 VanDerWaalsContact C-N 3.31Å; N303-K305 PolarHBondContact O-N 3.41Å; K305-T308 CarbonylContact O-C 3.58Å; K305-T308 PolarHBondContact O-N 2.87Å; K305-T308 PolarHBondContact O-OG1 3.15Å; K305-I309 HydrophobicContact CB-CD1 4.45Å; K305-I309 WeakPolarHBondContact O-CB 3.29Å; K305-I309 VanDerWaalsContact O-CG1 3.23Å; K305-I309 WeakPolarHBondContact O-CG1 3.39Å; K305-I309 PolarHBondContact O-N 3.06Å
306	Q	29.3	Very low	29.3	Very low	75 Å²	75	79.3 Å²	79.3	35%	0.35	43%	0.434	S	S	.	.	H	α-helix	trans	-59.7	-48.2	174.7	-74.3	169.9	-47.7	0	0	111.1	V302 N303 T308 I309 V310	V302-Q306 HydrophobicContact CG1-CG 4.41Å; V302-Q306 WeakPolarHBondContact O-CG 3.49Å; V302-Q306 PolarHBondContact O-N 3.39Å; N303-Q306 PolarHBondContact O-N 3.3Å; Q306-T308 VanDerWaalsContact C-N 3.32Å; Q306-T308 PolarHBondContact O-N 3.23Å; Q306-I309 PolarHBondContact O-N 3.11Å; Q306-V310 WeakPolarHBondContact O-CB 3.47Å; Q306-V310 WeakPolarHBondContact O-CG2 3.46Å; Q306-V310 PolarHBondContact O-N 3.46Å
307	Q	27.9	Very low	29.4	Very low	142 Å²	142	83 Å²	83	66%	0.664	45%	0.45	S	S	*	.	H	α-helix	trans	-59.1	-40.2	174.1	-72	-173.1	-8.1	0	0	112.7	N303 G311	N303-Q307 PolarHBondContact O-N 2.86Å; Q307-G311 PolarHBondContact O-N 3.38Å
308	T	32.7	Very low	29.7	Very low	54 Å²	54	84.9 Å²	84.9	33%	0.331	45%	0.447	S	S	.	.	H	α-helix	trans	-77.6	-22.1	177	41.6	0	0	0	0	114.4	R118 A304 K305 Q306 R312	R118-T308 PolarHBondContact NH1-OG1 3.46Å; A304-T308 PolarHBondContact O-N 3.3Å; A304-T308 VanDerWaalsContact O-N 3.14Å; A304-T308 PolarHBondContact O-OG1 3.44Å; K305-T308 CarbonylContact O-C 3.58Å; K305-T308 PolarHBondContact O-N 2.87Å; K305-T308 PolarHBondContact O-OG1 3.15Å; Q306-T308 VanDerWaalsContact C-N 3.32Å; Q306-T308 PolarHBondContact O-N 3.23Å; T308-R312 VanDerWaalsContact O-CB 3.25Å; T308-R312 WeakPolarHBondContact O-CB 3.34Å; T308-R312 VanDerWaalsContact O-CD 3.28Å; T308-R312 WeakPolarHBondContact O-CD 3.42Å; T308-R312 WeakPolarHBondContact O-CG 3.24Å; T308-R312 PolarHBondContact O-N 3.3Å; T308-R312 VanDerWaalsContact O-N 3.16Å
309	I	30.7	Very low	29.6	Very low	62 Å²	62	88.6 Å²	88.6	32%	0.318	46%	0.456	S	S	.	.	H	α-helix	trans	-81.3	-48.5	173.6	-71.5	165.3	0	0	0	110.7	K305 Q306 G311 R312 L313	K305-I309 HydrophobicContact CB-CD1 4.45Å; K305-I309 WeakPolarHBondContact O-CB 3.29Å; K305-I309 VanDerWaalsContact O-CG1 3.23Å; K305-I309 WeakPolarHBondContact O-CG1 3.39Å; K305-I309 PolarHBondContact O-N 3.06Å; Q306-I309 PolarHBondContact O-N 3.11Å; I309-G311 VanDerWaalsContact C-N 3.33Å; I309-G311 PolarHBondContact O-N 3.23Å; I309-R312 CarbonylContact O-C 3.52Å; I309-R312 PolarHBondContact O-N 2.91Å; I309-R312 VanDerWaalsContact O-N 3.13Å; I309-L313 HydrophobicContact CG2-CD1 3.67Å; I309-L313 HydrophobicContact CG2-CG 4.5Å; I309-L313 WeakPolarHBondContact O-CB 3.23Å; I309-L313 WeakPolarHBondContact O-CG 3.43Å; I309-L313 PolarHBondContact O-N 3.46Å
310	V	28.2	Very low	29.7	Very low	89 Å²	89	87.8 Å²	87.8	54%	0.539	47%	0.465	S	S	.	.	H	α-helix	trans	-61.2	-42	174.3	174.3	0	0	0	0	110.6	Q306 R312 L313 S314	Q306-V310 WeakPolarHBondContact O-CB 3.47Å; Q306-V310 WeakPolarHBondContact O-CG2 3.46Å; Q306-V310 PolarHBondContact O-N 3.46Å; V310-R312 PolarHBondContact O-N 3.36Å; V310-L313 PolarHBondContact O-N 3.21Å; V310-S314 VanDerWaalsContact O-CB 3.25Å; V310-S314 WeakPolarHBondContact O-CB 3.25Å; V310-S314 PolarHBondContact O-N 3.31Å
311	G	26.8	Very low	29.6	Very low	32 Å²	32	84 Å²	84	33%	0.33	48%	0.475	S	S	.	.	H	α-helix	trans	-63.3	-38	173	0	0	0	0	0	113.4	Q307 I309 N315	Q307-G311 PolarHBondContact O-N 3.38Å; I309-G311 VanDerWaalsContact C-N 3.33Å; I309-G311 PolarHBondContact O-N 3.23Å; G311-N315 WeakPolarHBondContact O-CB 3.28Å; G311-N315 VanDerWaalsContact O-CG 3.3Å; G311-N315 PolarHBondContact O-N 2.89Å
312	R	32	Very low	29.4	Very low	134 Å²	134	92.1 Å²	92.1	51%	0.506	50%	0.498	S	S	.	.	H	α-helix	trans	-70.8	-39	175.3	-81.3	171.1	173.9	-168.3	-5.9	112.8	T308 I309 V310 N315 A316	T308-R312 VanDerWaalsContact O-CB 3.25Å; T308-R312 WeakPolarHBondContact O-CB 3.34Å; T308-R312 VanDerWaalsContact O-CD 3.28Å; T308-R312 WeakPolarHBondContact O-CD 3.42Å; T308-R312 WeakPolarHBondContact O-CG 3.24Å; T308-R312 PolarHBondContact O-N 3.3Å; T308-R312 VanDerWaalsContact O-N 3.16Å; I309-R312 CarbonylContact O-C 3.52Å; I309-R312 PolarHBondContact O-N 2.91Å; I309-R312 VanDerWaalsContact O-N 3.13Å; V310-R312 PolarHBondContact O-N 3.36Å; R312-N315 PolarHBondContact O-N 3.45Å; R312-A316 VanDerWaalsContact O-CB 3.32Å; R312-A316 WeakPolarHBondContact O-CB 3.1Å; R312-A316 PolarHBondContact O-N 2.9Å
313	L	28.7	Very low	29.1	Very low	69 Å²	69	100.7 Å²	100.7	36%	0.361	52%	0.523	S	S	.	.	H	α-helix	trans	-69.9	-42.5	176	-72.9	161.7	0	0	0	111.2	I309 V310 N315 A316 L317 V499	I309-L313 HydrophobicContact CG2-CD1 3.67Å; I309-L313 HydrophobicContact CG2-CG 4.5Å; I309-L313 WeakPolarHBondContact O-CB 3.23Å; I309-L313 WeakPolarHBondContact O-CG 3.43Å; I309-L313 PolarHBondContact O-N 3.46Å; V310-L313 PolarHBondContact O-N 3.21Å; L313-N315 VanDerWaalsContact C-N 3.27Å; L313-N315 PolarHBondContact O-N 3.08Å; L313-A316 PolarHBondContact O-N 3.25Å; L313-L317 WeakPolarHBondContact O-CB 3.25Å; L313-L317 VanDerWaalsContact O-CG 3.3Å; L313-L317 WeakPolarHBondContact O-CG 3.47Å; L313-L317 PolarHBondContact O-N 3.26Å; L313-V499 HydrophobicContact CB-CG1 4.11Å; L313-V499 HydrophobicContact CD1-CG1 4.12Å; L313-V499 HydrophobicContact CD1-CG2 4.27Å; L313-V499 HydrophobicContact CD2-CG1 4.46Å; L313-V499 HydrophobicContact CG-CG1 4.45Å
314	S	28.9	Very low	28.9	Very low	49 Å²	49	104.1 Å²	104.1	34%	0.343	54%	0.542	S	S	.	.	H	α-helix	trans	-57.9	-38.8	171.9	-174.3	0	0	0	0	112.1	V310 K318	V310-S314 VanDerWaalsContact O-CB 3.25Å; V310-S314 WeakPolarHBondContact O-CB 3.25Å; V310-S314 PolarHBondContact O-N 3.31Å; S314-K318 WeakPolarHBondContact O-CD 3.33Å; S314-K318 VanDerWaalsContact O-CG 3.24Å; S314-K318 WeakPolarHBondContact O-CG 3.23Å; S314-K318 PolarHBondContact O-N 2.71Å; S314-K318 PolarHBondContact OG-NZ 3.4Å
315	N	30	Very low	28.8	Very low	85 Å²	85	105.9 Å²	105.9	46%	0.455	55%	0.551	S	S	.	*	H	α-helix	trans	-75.6	-40.8	175.3	-73	-11.4	0	0	0	112.5	G311 R312 L313 L317 K318 F319	G311-N315 WeakPolarHBondContact O-CB 3.28Å; G311-N315 VanDerWaalsContact O-CG 3.3Å; G311-N315 PolarHBondContact O-N 2.89Å; R312-N315 PolarHBondContact O-N 3.45Å; L313-N315 VanDerWaalsContact C-N 3.27Å; L313-N315 PolarHBondContact O-N 3.08Å; N315-L317 VanDerWaalsContact C-N 3.29Å; N315-L317 PolarHBondContact O-N 3.38Å; N315-K318 WeakPolarHBondContact O-CA 3.29Å; N315-K318 WeakPolarHBondContact O-CB 3.46Å; N315-K318 PolarHBondContact O-N 2.87Å; N315-F319 VanDerWaalsContact O-CD2 3.25Å; N315-F319 WeakPolarHBondContact O-CD2 3.46Å; N315-F319 PolarHBondContact O-N 2.86Å; N315-F319 VanDerWaalsContact O-N 3.11Å
316	A	29.1	Very low	28.6	Very low	60 Å²	60	111.6 Å²	111.6	50%	0.496	57%	0.571	S	S	.	*	H	α-helix	trans	-59.4	-40.4	176.1	0	0	0	0	0	111.9	R312 L313 K318 F319	R312-A316 VanDerWaalsContact O-CB 3.32Å; R312-A316 WeakPolarHBondContact O-CB 3.1Å; R312-A316 PolarHBondContact O-N 2.9Å; L313-A316 PolarHBondContact O-N 3.25Å; A316-K318 PolarHBondContact O-N 2.87Å; A316-F319 PolarHBondContact O-N 3.15Å
317	L	27.8	Very low	28.6	Very low	113 Å²	113	117.7 Å²	117.7	59%	0.592	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-15.1	173.8	-68.5	168.6	0	0	0	113.8	L313 N315 S320 V499	L313-L317 WeakPolarHBondContact O-CB 3.25Å; L313-L317 VanDerWaalsContact O-CG 3.3Å; L313-L317 WeakPolarHBondContact O-CG 3.47Å; L313-L317 PolarHBondContact O-N 3.26Å; N315-L317 VanDerWaalsContact C-N 3.29Å; N315-L317 PolarHBondContact O-N 3.38Å; L317-S320 PolarHBondContact O-OG 2.8Å; L317-V499 HydrophobicContact CD1-CG1 4.32Å
318	K	31.6	Very low	28.7	Very low	147 Å²	147	118.6 Å²	118.6	64%	0.639	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	-21.1	173.2	-75.3	166.2	-177	165.4	0	113.5	S314 N315 A316	S314-K318 WeakPolarHBondContact O-CD 3.33Å; S314-K318 VanDerWaalsContact O-CG 3.24Å; S314-K318 WeakPolarHBondContact O-CG 3.23Å; S314-K318 PolarHBondContact O-N 2.71Å; S314-K318 PolarHBondContact OG-NZ 3.4Å; N315-K318 WeakPolarHBondContact O-CA 3.29Å; N315-K318 WeakPolarHBondContact O-CB 3.46Å; N315-K318 PolarHBondContact O-N 2.87Å; A316-K318 PolarHBondContact O-N 2.87Å
319	F	29.4	Very low	28.5	Very low	178 Å²	178	119.3 Å²	119.3	78%	0.781	61%	0.613	S	S	*	*	S	Bend	trans	-88.1	-5.2	-178.2	-84	-70.3	0	0	0	114.5	N315 A316 G321	N315-F319 VanDerWaalsContact O-CD2 3.25Å; N315-F319 WeakPolarHBondContact O-CD2 3.46Å; N315-F319 PolarHBondContact O-N 2.86Å; N315-F319 VanDerWaalsContact O-N 3.11Å; A316-F319 PolarHBondContact O-N 3.15Å; F319-G321 VanDerWaalsContact C-N 3.25Å; F319-G321 PolarHBondContact O-N 2.87Å; F319-G321 VanDerWaalsContact O-N 3.09Å
320	S	29	Very low	28.4	Very low	87 Å²	87	121 Å²	121	61%	0.608	65%	0.646	S	S	*	*	S	Bend	trans	-83.7	38	-178.9	50.4	0	0	0	0	115.4	L317 R322	L317-S320 PolarHBondContact O-OG 2.8Å; S320-R322 VanDerWaalsContact C-N 3.28Å; S320-R322 PolarHBondContact O-N 2.8Å
321	G	26.5	Very low	28.4	Very low	79 Å²	79	120.3 Å²	120.3	81%	0.814	65%	0.649	S	S	*	*	S	Bend	trans	67.8	-10.9	149.3	0	0	0	0	0	120.6	F319	F319-G321 VanDerWaalsContact C-N 3.25Å; F319-G321 PolarHBondContact O-N 2.87Å; F319-G321 VanDerWaalsContact O-N 3.09Å
322	R	25.6	Very low	28.5	Very low	220 Å²	220	124.6 Å²	124.6	83%	0.83	67%	0.671	S	S	*	*			trans	-121	121.1	174.6	-74.5	-171.5	174.6	-168.3	-1.7	111.5	S320 N324	S320-R322 VanDerWaalsContact C-N 3.28Å; S320-R322 PolarHBondContact O-N 2.8Å; R322-N324 PolarHBondContact O-N 3.44Å
323	R	24.5	Very low	28.4	Very low	247 Å²	247	122 Å²	122	93%	0.932	67%	0.671	S	S	*	*			trans	-66.2	98.5	165.5	-77.7	-177.8	171.4	-178.5	-3.9	109	S325	R323-S325 PolarHBondContact O-N 2.96Å; R323-S325 VanDerWaalsContact O-N 3.09Å
324	N	26.9	Very low	28.5	Very low	136 Å²	136	128 Å²	128	73%	0.727	69%	0.694	S	S	*	*			trans	-74.5	95.2	165.6	-72.7	-9.8	0	0	0	108.2	R322 W326	R322-N324 PolarHBondContact O-N 3.44Å; N324-W326 PolarHBondContact O-N 2.97Å
325	S	26.5	Very low	28.6	Very low	88 Å²	88	135.2 Å²	135.2	62%	0.615	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.5	48.9	-175.8	60.6	0	0	0	0	113.3	R323	R323-S325 PolarHBondContact O-N 2.96Å; R323-S325 VanDerWaalsContact O-N 3.09Å
326	W	28.6	Very low	28.6	Very low	198 Å²	198	135.8 Å²	135.8	75%	0.75	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.7	-12.8	179.7	-92.7	16.5	0	0	0	113.4	N324 P333	N324-W326 PolarHBondContact O-N 2.97Å; W326-P333 HydrophobicContact CH2-CG 4.35Å; W326-P333 HydrophobicContact CZ2-CG 4.32Å
327	F	30	Very low	28.6	Very low	203 Å²	203	140.2 Å²	140.2	89%	0.89	75%	0.749	S	S	*	*	S	Bend	trans	-96.2	-13.2	178.2	-88.5	-83.9	0	0	0	114.6
328	D	29.6	Very low	28.6	Very low	160 Å²	160	144.8 Å²	144.8	86%	0.856	76%	0.758	S	S	*	*	S	Bend	trans	-97.4	-1.2	-179.1	-64.2	-48.5	0	0	0	113.6
329	S	29.1	Very low	28.5	Very low	70 Å²	70	142.4 Å²	142.4	49%	0.49	76%	0.758	S	S	.	*	S	Bend	trans	-117.9	105.1	-179.3	57.4	0	0	0	0	111	A331	S329-A331 PolarHBondContact O-N 2.98Å
330	G	27.6	Very low	28.6	Very low	98 Å²	98	139 Å²	139	100%	1.01	76%	0.756	S	S	*	*			trans	-73.2	50	-173.3	0	0	0	0	0	116.3
331	A	28.8	Very low	28.6	Very low	73 Å²	73	145.6 Å²	145.6	60%	0.603	77%	0.768	S	S	*	*	S	Bend	trans	-144.7	129.4	171.7	0	0	0	0	0	110.2	S329	S329-A331 PolarHBondContact O-N 2.98Å
332	P	29.1	Very low	28.8	Very low	122 Å²	122	147.3 Å²	147.3	79%	0.792	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-67.6	135.3	177	27.9	-33.5	0	0	0	110.6	K334	P332-K334 PolarHBondContact O-N 2.87Å
333	P	28.9	Very low	29.2	Very low	79 Å²	79	141.6 Å²	141.6	51%	0.513	74%	0.743	S	S	.	*	P	Polyproline II helix	trans	-67.5	132	177.3	27.8	-33.5	0	0	0	110.4	W326 H335	W326-P333 HydrophobicContact CH2-CG 4.35Å; W326-P333 HydrophobicContact CZ2-CG 4.32Å; P333-H335 PolarHBondContact O-N 3.46Å
334	K	30.7	Very low	29.4	Very low	195 Å²	195	138.5 Å²	138.5	85%	0.848	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-63.4	130.3	175.1	-68.5	-175.2	176.9	-177.2	0	109.9	P332 S336	P332-K334 PolarHBondContact O-N 2.87Å; K334-S336 PolarHBondContact O-N 3.18Å
335	H	30.7	Very low	29.5	Very low	202 Å²	202	140.5 Å²	140.5	94%	0.935	74%	0.735	S	S	*	*	S	Bend	trans	-73	94.7	175.5	-72.8	-63.8	0	0	0	111	P333	P333-H335 PolarHBondContact O-N 3.46Å
336	S	29.8	Very low	29.6	Very low	96 Å²	96	139.6 Å²	139.6	67%	0.671	73%	0.733	S	S	*	*			trans	-124.5	-33.4	168.7	49.5	0	0	0	0	113.5	K334 R338	K334-S336 PolarHBondContact O-N 3.18Å; S336-R338 PolarHBondContact O-N 3.36Å
337	D	29.2	Very low	29.6	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	73%	0.734	S	S	*	*			trans	-103.3	75.5	-172.8	-64.3	-78.6	0	0	0	112.6
338	R	29.1	Very low	29.7	Very low	208 Å²	208	134.5 Å²	134.5	79%	0.785	73%	0.727	S	S	*	*			trans	-88.9	122.6	171.7	-157.2	175.9	-165.9	170.5	4.4	109.9	S336 S340	S336-R338 PolarHBondContact O-N 3.36Å; R338-S340 PolarHBondContact O-N 3.41Å
339	P	28.3	Very low	29.5	Very low	98 Å²	98	135.3 Å²	135.3	64%	0.636	72%	0.72	S	S	*	*			trans	-64	124.6	-175.2	-25.6	35.2	0	0	0	113.6	R341	P339-R341 PolarHBondContact O-N 3.06Å
340	S	32	Very low	29.5	Very low	107 Å²	107	136 Å²	136	75%	0.748	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	26.3	-176.8	56.1	0	0	0	0	116	R338 D343	R338-S340 PolarHBondContact O-N 3.41Å; S340-D343 WeakPolarHBondContact CA-OD2 3.23Å
341	R	29.7	Very low	29.4	Very low	225 Å²	225	136.8 Å²	136.8	85%	0.849	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-12	-178.2	-122	173.8	174.9	158	-1.7	113.5	P339	P339-R341 PolarHBondContact O-N 3.06Å
342	L	31.1	Very low	29.4	Very low	115 Å²	115	138.4 Å²	138.4	60%	0.602	72%	0.72	S	S	*	*	S	Bend	trans	-86.6	-28.3	178.2	-81.3	160.2	0	0	0	113.2	K344 Y345	L342-K344 PolarHBondContact O-N 2.83Å; L342-K344 VanDerWaalsContact O-N 3.11Å; L342-Y345 PolarHBondContact O-N 3.34Å
343	D	32.5	Very low	29.5	Very low	100 Å²	100	138.6 Å²	138.6	54%	0.535	71%	0.713	S	S	.	*	H	α-helix	trans	-63.3	-26.1	-171	-47.9	-64.8	0	0	0	113.5	S340 Y345 A346 A347	S340-D343 WeakPolarHBondContact CA-OD2 3.23Å; D343-Y345 PolarHBondContact O-N 2.85Å; D343-Y345 VanDerWaalsContact O-N 3.15Å; D343-A346 PolarHBondContact O-N 2.83Å; D343-A347 PolarHBondContact O-N 2.83Å
344	K	29.3	Very low	29.5	Very low	182 Å²	182	142.2 Å²	142.2	79%	0.791	72%	0.721	S	S	*	*	H	α-helix	trans	-64.9	-12.8	175.2	-80.1	-171.1	173.3	-178.5	0	114.8	L342	L342-K344 PolarHBondContact O-N 2.83Å; L342-K344 VanDerWaalsContact O-N 3.11Å
345	Y	29.7	Very low	29.4	Very low	177 Å²	177	138.4 Å²	138.4	69%	0.694	72%	0.718	S	S	*	*	H	α-helix	trans	-103.2	-29.3	172.1	-74	-87.8	0	0	0	113.1	L342 D343 A347	L342-Y345 PolarHBondContact O-N 3.34Å; D343-Y345 PolarHBondContact O-N 2.85Å; D343-Y345 VanDerWaalsContact O-N 3.15Å; Y345-A347 VanDerWaalsContact C-N 3.34Å; Y345-A347 PolarHBondContact O-N 3.41Å
346	A	28.5	Very low	29.2	Very low	69 Å²	69	133.5 Å²	133.5	57%	0.57	70%	0.699	S	S	*	*	H	α-helix	trans	-63.5	-38	175.9	0	0	0	0	0	112.4	D343 R348 Y349	D343-A346 PolarHBondContact O-N 2.83Å; A346-R348 PolarHBondContact O-N 2.8Å; A346-Y349 PolarHBondContact O-N 3.49Å
347	A	28.9	Very low	29.1	Very low	92 Å²	92	130.9 Å²	130.9	76%	0.76	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	17.1	-177.4	0	0	0	0	0	116.3	D343 Y345	D343-A347 PolarHBondContact O-N 2.83Å; Y345-A347 VanDerWaalsContact C-N 3.34Å; Y345-A347 PolarHBondContact O-N 3.41Å
348	R	30.5	Very low	29.3	Very low	202 Å²	202	128.1 Å²	128.1	76%	0.762	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	-6.5	176.1	-69.6	-168.4	177.6	-154.5	-0.8	114.6	A346	A346-R348 PolarHBondContact O-N 2.8Å
349	Y	26.9	Very low	29.4	Very low	177 Å²	177	125.9 Å²	125.9	69%	0.694	67%	0.67	S	S	*	*	S	Bend	trans	-106.5	135.2	175.4	-69.9	-89.4	0	0	0	110.1	A346 S351	A346-Y349 PolarHBondContact O-N 3.49Å; Y349-S351 PolarHBondContact O-N 3.16Å
350	P	27.4	Very low	29.6	Very low	84 Å²	84	127.2 Å²	127.2	55%	0.545	67%	0.667	S	S	.	*			trans	-68.1	127.7	179.3	27.6	-33.4	0	0	0	110.4	S352	P350-S352 PolarHBondContact O-N 3.13Å
351	S	27	Very low	29.5	Very low	115 Å²	115	127.2 Å²	127.2	80%	0.804	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	10.5	-171.6	-35.8	0	0	0	0	115.6	Y349	Y349-S351 PolarHBondContact O-N 3.16Å
352	S	28.2	Very low	29.7	Very low	108 Å²	108	120.9 Å²	120.9	76%	0.755	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	14.5	-174.8	65	0	0	0	0	114.1	P350	P350-S352 PolarHBondContact O-N 3.13Å
353	I	31.2	Very low	29.5	Very low	125 Å²	125	124.2 Å²	124.2	64%	0.641	65%	0.645	S	S	*	*	S	Bend	trans	-115	-19.7	-178.7	-58.4	177.7	0	0	0	111.5
354	F	28.4	Very low	29.5	Very low	156 Å²	156	123.4 Å²	123.4	68%	0.684	64%	0.64	S	S	*	*			trans	-109.3	93.7	-178.9	-61.3	-82.2	0	0	0	109.8
355	S	28.7	Very low	29.5	Very low	114 Å²	114	118.8 Å²	118.8	80%	0.797	62%	0.624	S	S	*	*			trans	-86	-10.1	-179.4	56.4	0	0	0	0	114.6
356	N	27.1	Very low	29.5	Very low	99 Å²	99	116.2 Å²	116.2	53%	0.529	62%	0.622	S	S	.	*	S	Bend	trans	-115.3	146.3	-174.1	-59.8	15.9	0	0	0	109.1
357	S	27.8	Very low	29.6	Very low	42 Å²	42	118.7 Å²	118.7	29%	0.294	63%	0.626	S	S	.	*			trans	-74.4	148.8	179.7	72.3	0	0	0	0	111.7	E359 E360 E361	S357-E359 PolarHBondContact O-N 3.35Å; S357-E360 VanDerWaalsContact CB-OE2 3.31Å; S357-E360 WeakPolarHBondContact CB-OE2 3.35Å; S357-E360 PolarHBondContact N-OE2 3.07Å; S357-E360 VanDerWaalsContact N-OE2 3.15Å; S357-E360 PolarHBondContact O-N 2.79Å; S357-E360 VanDerWaalsContact OG-CD 3.29Å; S357-E360 VanDerWaalsContact OG-CG 3.26Å; S357-E360 WeakPolarHBondContact OG-CG 3.26Å; S357-E360 PolarHBondContact OG-N 2.8Å; S357-E360 PolarHBondContact OG-OE2 2.84Å; S357-E361 PolarHBondContact O-N 2.91Å
358	P	31.9	Very low	29.8	Very low	95 Å²	95	122.4 Å²	122.4	62%	0.617	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-2.4	176.7	29.8	-36.2	0	0	0	113.6	N362	P358-N362 PolarHBondContact O-ND2 2.89Å
359	E	31.8	Very low	29.7	Very low	162 Å²	162	120.7 Å²	120.7	76%	0.757	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-34.6	177.2	-61.4	-176.2	154.2	0	0	111	S357	S357-E359 PolarHBondContact O-N 3.35Å
360	E	32.1	Very low	29.6	Very low	125 Å²	125	114.9 Å²	114.9	58%	0.584	61%	0.608	S	S	*	*	H	α-helix	trans	-69.4	-42.3	172.5	-72.2	163.2	122.8	0	0	112.4	S357 N362 Y363 D364	S357-E360 VanDerWaalsContact CB-OE2 3.31Å; S357-E360 WeakPolarHBondContact CB-OE2 3.35Å; S357-E360 PolarHBondContact N-OE2 3.07Å; S357-E360 VanDerWaalsContact N-OE2 3.15Å; S357-E360 PolarHBondContact O-N 2.79Å; S357-E360 VanDerWaalsContact OG-CD 3.29Å; S357-E360 VanDerWaalsContact OG-CG 3.26Å; S357-E360 WeakPolarHBondContact OG-CG 3.26Å; S357-E360 PolarHBondContact OG-N 2.8Å; S357-E360 PolarHBondContact OG-OE2 2.84Å; E360-N362 PolarHBondContact O-N 2.79Å; E360-Y363 PolarHBondContact O-N 2.89Å; E360-Y363 VanDerWaalsContact O-N 3.11Å; E360-D364 PolarHBondContact O-N 2.93Å
361	E	31.4	Very low	29.5	Very low	107 Å²	107	115.9 Å²	115.9	50%	0.5	62%	0.617	S	S	.	*	H	α-helix	trans	-59.1	-33.4	176.7	-71.1	-164.1	135.9	0	0	112.2	S357 Y363 D364 L365	S357-E361 PolarHBondContact O-N 2.91Å; E361-Y363 VanDerWaalsContact C-N 3.34Å; E361-Y363 PolarHBondContact O-N 2.98Å; E361-D364 PolarHBondContact O-N 2.68Å; E361-L365 HydrophobicContact CB-CD1 4.47Å; E361-L365 VanDerWaalsContact O-CB 3.25Å; E361-L365 WeakPolarHBondContact O-CB 3.26Å; E361-L365 WeakPolarHBondContact O-CD1 3.22Å; E361-L365 VanDerWaalsContact O-CG 3.22Å; E361-L365 WeakPolarHBondContact O-CG 3.37Å; E361-L365 PolarHBondContact O-N 3.23Å
362	N	32.3	Very low	29.5	Very low	93 Å²	93	117.5 Å²	117.5	50%	0.497	62%	0.617	S	S	.	*	H	α-helix	trans	-69.7	-27.8	178.6	-91.2	-70.6	0	0	0	113.5	P358 E360 N366	P358-N362 PolarHBondContact O-ND2 2.89Å; E360-N362 PolarHBondContact O-N 2.79Å; N362-N366 PolarHBondContact O-N 3.44Å; N362-N366 PolarHBondContact O-ND2 3.45Å
363	Y	27.6	Very low	29.4	Very low	185 Å²	185	118.8 Å²	118.8	73%	0.725	63%	0.626	S	S	*	*	H	α-helix	trans	-75.5	-38.4	176.9	-130.9	-91.8	0	0	0	111.5	E360 E361 N367	E360-Y363 PolarHBondContact O-N 2.89Å; E360-Y363 VanDerWaalsContact O-N 3.11Å; E361-Y363 VanDerWaalsContact C-N 3.34Å; E361-Y363 PolarHBondContact O-N 2.98Å; Y363-N367 PolarHBondContact O-ND2 2.85Å
364	D	32.4	Very low	29.1	Very low	83 Å²	83	117 Å²	117	44%	0.444	63%	0.629	S	S	.	*	H	α-helix	trans	-79	-31.2	-180	-139.2	47.2	0	0	0	112.2	E360 E361 R368	E360-D364 PolarHBondContact O-N 2.93Å; E361-D364 PolarHBondContact O-N 2.68Å; D364-R368 WeakPolarHBondContact O-CD 3.37Å; D364-R368 WeakPolarHBondContact O-CG 3.23Å; D364-R368 PolarHBondContact O-N 2.63Å; D364-R368 IonicContact OD2-CZ 3.16Å; D364-R368 IonicContact OD2-NE 2.73Å; D364-R368 PolarHBondContact OD2-NE 2.8Å; D364-R368 VanDerWaalsContact OD2-NE 3.09Å; D364-R368 IonicContact OD2-NH2 2.67Å; D364-R368 PolarHBondContact OD2-NH2 3.29Å
365	L	30.4	Very low	29	Very low	85 Å²	85	113.4 Å²	113.4	45%	0.445	62%	0.624	S	S	.	*	H	α-helix	trans	-69.6	-37.1	173	-76.9	167.7	0	0	0	112.9	E361 R368 Y369	E361-L365 HydrophobicContact CB-CD1 4.47Å; E361-L365 VanDerWaalsContact O-CB 3.25Å; E361-L365 WeakPolarHBondContact O-CB 3.26Å; E361-L365 WeakPolarHBondContact O-CD1 3.22Å; E361-L365 VanDerWaalsContact O-CG 3.22Å; E361-L365 WeakPolarHBondContact O-CG 3.37Å; E361-L365 PolarHBondContact O-N 3.23Å; L365-R368 PolarHBondContact O-N 2.87Å; L365-Y369 HydrophobicContact CD2-CE2 4.2Å; L365-Y369 VanDerWaalsContact O-CD2 3.26Å; L365-Y369 WeakPolarHBondContact O-CD2 3.35Å
366	N	29.7	Very low	29	Very low	122 Å²	122	115.2 Å²	115.2	65%	0.652	62%	0.624	S	S	*	*	H	α-helix	trans	-72.7	-29.9	179.2	-79.7	-71.5	0	0	0	113.1	N362	N362-N366 PolarHBondContact O-N 3.44Å; N362-N366 PolarHBondContact O-ND2 3.45Å
367	N	30.7	Very low	28.9	Very low	121 Å²	121	119.1 Å²	119.1	65%	0.647	63%	0.632	S	S	*	*	H	α-helix	trans	-78.8	-15.3	175.8	-75.2	-43	0	0	0	114.3	Y363	Y363-N367 PolarHBondContact O-ND2 2.85Å
368	R	31.4	Very low	28.9	Very low	170 Å²	170	126.1 Å²	126.1	64%	0.642	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-5	-178.6	-73.7	173.4	-171.6	-149	6	115.2	D364 L365	D364-R368 WeakPolarHBondContact O-CD 3.37Å; D364-R368 WeakPolarHBondContact O-CG 3.23Å; D364-R368 PolarHBondContact O-N 2.63Å; D364-R368 IonicContact OD2-CZ 3.16Å; D364-R368 IonicContact OD2-NE 2.73Å; D364-R368 PolarHBondContact OD2-NE 2.8Å; D364-R368 VanDerWaalsContact OD2-NE 3.09Å; D364-R368 IonicContact OD2-NH2 2.67Å; D364-R368 PolarHBondContact OD2-NH2 3.29Å; L365-R368 PolarHBondContact O-N 2.87Å
369	Y	29.7	Very low	28.6	Very low	167 Å²	167	129.9 Å²	129.9	66%	0.655	66%	0.655	S	S	*	*	S	Bend	trans	-119.5	8.8	-175.1	-74.7	-101.5	0	0	0	113.9	L365	L365-Y369 HydrophobicContact CD2-CE2 4.2Å; L365-Y369 VanDerWaalsContact O-CD2 3.26Å; L365-Y369 WeakPolarHBondContact O-CD2 3.35Å
370	G	23.7	Very low	28.4	Very low	54 Å²	54	127.5 Å²	127.5	56%	0.557	65%	0.652	S	S	*	*	S	Bend	trans	-86.3	111.7	167.8	0	0	0	0	0	111.5
371	S	27	Very low	28.1	Very low	105 Å²	105	129.1 Å²	129.1	73%	0.734	66%	0.658	S	S	*	*	S	Bend	trans	66.3	156.5	-175.9	10.2	0	0	0	0	115.7
372	D	27	Very low	28	Very low	150 Å²	150	127.3 Å²	127.3	80%	0.802	66%	0.657	S	S	*	*			trans	47.8	72.8	167	-60.1	-10	0	0	0	117.3	A374	D372-A374 PolarHBondContact O-N 3.09Å
373	S	24.7	Very low	28	Very low	135 Å²	135	130.8 Å²	130.8	94%	0.944	68%	0.675	S	S	*	*			trans	-67.7	69.6	173.2	63.3	0	0	0	0	113
374	A	25.4	Very low	28.1	Very low	86 Å²	86	125.3 Å²	125.3	71%	0.711	68%	0.675	S	S	*	*			trans	-138.7	17.5	-168.7	0	0	0	0	0	115.2	D372	D372-A374 PolarHBondContact O-N 3.09Å
375	S	26.3	Very low	27.8	Very low	81 Å²	81	126 Å²	126	57%	0.566	68%	0.682	S	S	*	*			trans	-152.2	133.2	168.4	63.1	0	0	0	0	114.2
376	L	28.4	Very low	27.7	Very low	152 Å²	152	126.2 Å²	126.2	80%	0.796	69%	0.689	S	S	*	*			trans	-138.3	117.8	160.6	-80.5	177.6	0	0	0	108
377	Y	26	Very low	27.6	Very low	181 Å²	181	123.4 Å²	123.4	71%	0.71	68%	0.679	S	S	*	*			trans	-69.7	141.2	-176.2	-68.4	-98.3	0	0	0	111.3
378	R	27.2	Very low	27.5	Very low	190 Å²	190	122.3 Å²	122.3	72%	0.717	68%	0.681	S	S	*	*			trans	-125.1	111.2	173.9	-152.3	174.7	-164.9	-179.7	4.5	110.4	E510	R378-E510 IonicContact CZ-OE1 2.63Å; R378-E510 IonicContact NE-OE1 3.09Å; R378-E510 IonicContact NH2-OE1 3.18Å; R378-E510 PolarHBondContact NH2-OE1 3.27Å
379	Y	26.1	Very low	27.5	Very low	173 Å²	173	118.9 Å²	118.9	68%	0.678	68%	0.68	S	S	*	*			trans	-72	138.7	175.6	-67.9	-90.6	0	0	0	110.7
380	T	27.5	Very low	27.5	Very low	112 Å²	112	120.2 Å²	120.2	69%	0.687	69%	0.689	S	S	*	*			trans	-122.8	112	170.7	42.6	0	0	0	0	109.6	S382	T380-S382 PolarHBondContact O-N 2.88Å
381	F	25.9	Very low	27.7	Very low	160 Å²	160	122.9 Å²	122.9	70%	0.702	70%	0.697	S	S	*	*			trans	-75.2	123.9	176.9	-67.7	-85.2	0	0	0	110.2
382	S	28.7	Very low	28	Very low	68 Å²	68	127.4 Å²	127.4	48%	0.476	70%	0.7	S	S	.	*	B	Isolated β-bridge	trans	-125	139.5	162.6	57.9	0	0	0	0	109.1	T380 G384 V385	T380-S382 PolarHBondContact O-N 2.88Å; S382-G384 PolarHBondContact O-N 3.48Å; S382-V385 PolarHBondContact O-N 3.48Å
383	N	33.2	Very low	28.7	Very low	166 Å²	166	124 Å²	124	89%	0.888	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.6	21	179.1	-56.9	-10.1	0	0	0	116.5	V385	N383-V385 VanDerWaalsContact C-N 3.26Å; N383-V385 PolarHBondContact O-N 2.96Å
384	G	29.1	Very low	30.1	Very low	71 Å²	71	123.2 Å²	123.2	73%	0.732	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	76	4.7	176.8	0	0	0	0	0	115.6	S382	S382-G384 PolarHBondContact O-N 3.48Å
385	V	25	Very low	31.8	Very low	97 Å²	97	122.2 Å²	122.2	59%	0.588	66%	0.662	S	S	*	*	B	Isolated β-bridge	trans	-112.5	132.6	176.5	-178.1	0	0	0	0	108.7	S382 N383 S387	S382-V385 PolarHBondContact O-N 3.48Å; N383-V385 VanDerWaalsContact C-N 3.26Å; N383-V385 PolarHBondContact O-N 2.96Å; V385-S387 PolarHBondContact O-N 3.46Å
386	P	28.9	Very low	34	Very low	90 Å²	90	123 Å²	123	58%	0.584	66%	0.658	S	S	*	*			trans	-69.4	98.5	173.1	28.6	-33.3	0	0	0	109.6
387	S	28.5	Very low	36.3	Very low	62 Å²	62	115.8 Å²	115.8	43%	0.434	62%	0.621	S	S	.	*			trans	-65	139.4	172.1	56.8	0	0	0	0	110.4	V385	V385-S387 PolarHBondContact O-N 3.46Å
388	S	28.6	Very low	38.5	Very low	99 Å²	99	110.8 Å²	110.8	69%	0.692	61%	0.611	S	S	*	*			trans	-53.1	144.7	179.6	47.9	0	0	0	0	112.5	K390	S388-K390 PolarHBondContact O-N 3.01Å
389	P	31.3	Very low	40.7	Very low	98 Å²	98	105.6 Å²	105.6	64%	0.636	60%	0.598	S	S	*	*			trans	-64.5	109.4	-172.8	25.5	-34.3	0	0	0	110.8
390	K	29.5	Very low	43.2	Very low	194 Å²	194	99.3 Å²	99.3	84%	0.843	58%	0.579	S	S	*	*			trans	-68	131	173.2	-72.8	-171.5	176.2	-175.9	0	109.7	S388 Y392	S388-K390 PolarHBondContact O-N 3.01Å; K390-Y392 PolarHBondContact O-N 3.13Å
391	P	28	Very low	45.5	Very low	111 Å²	111	96.4 Å²	96.4	72%	0.721	57%	0.571	S	S	*	*	S	Bend	trans	-67.2	134.3	177.2	27.1	-33.6	0	0	0	111.3	G393	P391-G393 PolarHBondContact O-N 3.31Å
392	Y	32.5	Very low	47.7	Very low	200 Å²	200	95.8 Å²	95.8	78%	0.784	57%	0.569	S	S	*	*			trans	44.4	66.9	159.5	-65.2	-86.5	0	0	0	117.5	K390 K394	K390-Y392 PolarHBondContact O-N 3.13Å; Y392-K394 PolarHBondContact O-N 2.93Å
393	G	41.6	Very low	50	Low	77 Å²	77	96.2 Å²	96.2	79%	0.794	56%	0.563	S	S	*	*			trans	-68.5	105.5	145.9	0	0	0	0	0	108.9	P391 D395	P391-G393 PolarHBondContact O-N 3.31Å; G393-D395 PolarHBondContact O-N 2.78Å
394	K	53.9	Low	51.5	Low	119 Å²	119	88.8 Å²	88.8	52%	0.517	52%	0.524	S	S	.	.			trans	-65.9	126.4	176.4	-64.4	-172.7	160.5	-141.5	0	109.7	Y392 I396 E403	Y392-K394 PolarHBondContact O-N 2.93Å; K394-I396 HydrophobicContact CB-CG1 4.42Å; K394-I396 PolarHBondContact O-N 3.44Å; K394-E403 HydrophobicContact CB-CG 4.24Å; K394-E403 VanDerWaalsContact CD-CD 3.48Å; K394-E403 HydrophobicContact CD-CG 4.34Å; K394-E403 WeakPolarHBondContact CD-OE1 3.47Å; K394-E403 WeakPolarHBondContact CE-OE1 3.32Å; K394-E403 VanDerWaalsContact CG-OE1 3.27Å; K394-E403 WeakPolarHBondContact CG-OE1 3.27Å; K394-E403 IonicContact NZ-OE1 2.68Å; K394-E403 PolarHBondContact NZ-OE1 2.89Å; K394-E403 IonicContact NZ-OE2 3.06Å; K394-E403 PolarHBondContact NZ-OE2 3.17Å
395	D	62.4	Low	52.9	Low	65 Å²	65	91.1 Å²	91.1	35%	0.348	52%	0.524	S	S	.	.			trans	-65.9	99	171.3	-94.4	-13.6	0	0	0	107.9	G393 V404 R408 V415	G393-D395 PolarHBondContact O-N 2.78Å; D395-V404 HydrophobicContact CB-CB 4.36Å; D395-V404 WeakPolarHBondContact O-CB 3.16Å; D395-V404 WeakPolarHBondContact O-CG2 3.35Å; D395-V404 PolarHBondContact O-N 2.84Å; D395-R408 IonicContact OD2-NH1 3.89Å; D395-R408 PolarHBondContact OD2-NH1 3.09Å; D395-V415 HydrophobicContact CB-CG1 4.34Å
396	I	71.1	Confident	54.2	Low	97 Å²	97	90.1 Å²	90.1	50%	0.497	52%	0.521	S	S	.	.	B	Isolated β-bridge	trans	-91.4	132	179.9	-68	171.1	0	0	0	110	K394 C398 G401	K394-I396 HydrophobicContact CB-CG1 4.42Å; K394-I396 PolarHBondContact O-N 3.44Å; I396-C398 PolarHBondContact O-N 2.67Å; I396-G401 WeakPolarHBondContact CG2-O 3.2Å
397	C	77.4	Confident	55.5	Low	2 Å²	2	90.4 Å²	90.4	1%	0.014	52%	0.517	C	S	.	.			trans	-66.4	124.9	175.2	172.8	0	0	0	0	111.5	D399 C400 G401 F402 V404 V415 H417 C420	C397-D399 PolarHBondContact O-N 2.73Å; C397-D399 VanDerWaalsContact O-N 3.14Å; C397-D399 PolarHBondContact SG-N 2.94Å; C397-D399 VanDerWaalsContact SG-N 3.41Å; C397-C400 VanDerWaalsContact CB-SG 3.59Å; C397-G401 WeakPolarHBondContact O-CA 3.21Å; C397-G401 PolarHBondContact O-N 2.72Å; C397-F402 PolarHBondContact N-O 2.98Å; C397-V404 HydrophobicContact CB-CG2 3.67Å; C397-V415 WeakPolarHBondContact CA-O 3.49Å; C397-H417 WeakPolarHBondContact CB-ND1 3.36Å; C397-C420 VanDerWaalsContact SG-CB 3.56Å
398	C	72.4	Confident	57	Low	75 Å²	75	95 Å²	95	51%	0.507	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	3.1	-179.1	-62.8	0	0	0	0	115.7	I396 K414 V415 Y416	I396-C398 PolarHBondContact O-N 2.67Å; C398-K414 HydrophobicContact CB-CB 4.22Å; C398-K414 HydrophobicContact CB-CD 4.34Å; C398-V415 PolarHBondContact N-O 3.45Å; C398-Y416 HydrophobicContact CB-CD1 4.37Å; C398-Y416 HydrophobicContact CB-CE1 3.86Å
399	D	73.2	Confident	58.4	Low	81 Å²	81	91.8 Å²	91.8	43%	0.433	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-53.6	173.3	172.7	79.3	0	0	0	110.6	C397 Y416 C420 K422	C397-D399 PolarHBondContact O-N 2.73Å; C397-D399 VanDerWaalsContact O-N 3.14Å; C397-D399 PolarHBondContact SG-N 2.94Å; C397-D399 VanDerWaalsContact SG-N 3.41Å; D399-Y416 HydrophobicContact CB-CD1 3.95Å; D399-Y416 HydrophobicContact CB-CE1 4.09Å; D399-C420 HydrophobicContact CB-CB 4.1Å; D399-C420 WeakPolarHBondContact OD2-CB 3.4Å; D399-K422 IonicContact OD1-NZ 3.97Å; D399-K422 IonicContact OD2-NZ 3.5Å
400	C	78.1	Confident	60.1	Low	42 Å²	42	90.9 Å²	90.9	28%	0.284	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-6.4	-173.7	74.7	0	0	0	0	115.6	C397 F402 H417 C420	C397-C400 VanDerWaalsContact CB-SG 3.59Å; C400-F402 HydrophobicContact CB-CD2 4.08Å; C400-F402 WeakPolarHBondContact O-CD2 3.33Å; C400-F402 PolarHBondContact O-N 3.08Å; C400-H417 PolarHBondContact SG-ND1 2.76Å; C400-C420 VanDerWaalsContact SG-SG 3.66Å
401	G	75.9	Confident	61.3	Low	51 Å²	51	84.1 Å²	84.1	53%	0.526	47%	0.469	S	S	.	.			trans	72	2	178	0	0	0	0	0	116.3	I396 C397	I396-G401 WeakPolarHBondContact CG2-O 3.2Å; C397-G401 WeakPolarHBondContact O-CA 3.21Å; C397-G401 PolarHBondContact O-N 2.72Å
402	F	73.2	Confident	62.6	Low	147 Å²	147	87.3 Å²	87.3	65%	0.645	48%	0.475	S	S	*	.			trans	-91.3	158.9	178	-66.8	-77.2	0	0	0	112.4	C397 C400 H417	C397-F402 PolarHBondContact N-O 2.98Å; C400-F402 HydrophobicContact CB-CD2 4.08Å; C400-F402 WeakPolarHBondContact O-CD2 3.33Å; C400-F402 PolarHBondContact O-N 3.08Å; F402-H417 PolarHBondContact O-CE1 2.83Å
403	E	76.3	Confident	63.8	Low	76 Å²	76	90 Å²	90	36%	0.355	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-69.6	135.2	178.3	-178	172.6	-154.7	0	0	112.5	K394 T405 H417	K394-E403 HydrophobicContact CB-CG 4.24Å; K394-E403 VanDerWaalsContact CD-CD 3.48Å; K394-E403 HydrophobicContact CD-CG 4.34Å; K394-E403 WeakPolarHBondContact CD-OE1 3.47Å; K394-E403 WeakPolarHBondContact CE-OE1 3.32Å; K394-E403 VanDerWaalsContact CG-OE1 3.27Å; K394-E403 WeakPolarHBondContact CG-OE1 3.27Å; K394-E403 IonicContact NZ-OE1 2.68Å; K394-E403 PolarHBondContact NZ-OE1 2.89Å; K394-E403 IonicContact NZ-OE2 3.06Å; K394-E403 PolarHBondContact NZ-OE2 3.17Å; E403-T405 HydrophobicContact CG-CG2 4.08Å; E403-H417 PolarHBondContact O-CE1 3.2Å; E403-H417 PolarHBondContact O-NE2 3.43Å
404	V	64.2	Low	64.6	Low	11 Å²	11	91.5 Å²	91.5	7%	0.067	47%	0.468	C	S	.	.			trans	-101.6	81.2	-175.7	-168.3	0	0	0	0	110	D395 C397 R408 V415	D395-V404 HydrophobicContact CB-CB 4.36Å; D395-V404 WeakPolarHBondContact O-CB 3.16Å; D395-V404 WeakPolarHBondContact O-CG2 3.35Å; D395-V404 PolarHBondContact O-N 2.84Å; C397-V404 HydrophobicContact CB-CG2 3.67Å; V404-R408 HydrophobicContact CG1-CB 3.51Å; V404-V415 HydrophobicContact CB-CG1 4.31Å; V404-V415 HydrophobicContact CG1-CG1 4.34Å; V404-V415 HydrophobicContact CG2-CG1 4.18Å
405	T	59.4	Low	65.1	Low	120 Å²	120	86.9 Å²	86.9	74%	0.736	45%	0.45	S	S	*	.	S	Bend	trans	-77.9	-26.1	177.3	54.4	0	0	0	0	113.4	E403	E403-T405 HydrophobicContact CG-CG2 4.08Å
406	C	52	Low	65.3	Low	76 Å²	76	85.3 Å²	85.3	51%	0.514	44%	0.439	S	S	.	.	S	Bend	trans	-149.6	171.6	179.4	63.6	0	0	0	0	111.2	R408	C406-R408 VanDerWaalsContact C-N 3.3Å; C406-R408 PolarHBondContact O-N 3.42Å
407	D	55.6	Low	65.3	Low	95 Å²	95	82.6 Å²	82.6	51%	0.508	42%	0.424	S	S	.	.	S	Bend	trans	50.5	44.5	177.9	-91.3	-46.1	0	0	0	113.4	H417 R418	D407-H417 CarbonylContact O-C 3.48Å; D407-R418 HydrophobicContact CB-CB 3.88Å; D407-R418 WeakPolarHBondContact O-CB 3.33Å; D407-R418 PolarHBondContact O-N 3Å; D407-R418 WeakPolarHBondContact OD1-CD 3.35Å; D407-R418 IonicContact OD1-NH1 2.82Å; D407-R418 PolarHBondContact OD1-NH1 2.83Å
408	R	59.7	Low	64.5	Low	158 Å²	158	88.6 Å²	88.6	60%	0.596	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	135.9	-179.7	72	179.9	175	-172.8	-6.4	113	D395 V404 C406 V415 Y416	D395-R408 IonicContact OD2-NH1 3.89Å; D395-R408 PolarHBondContact OD2-NH1 3.09Å; V404-R408 HydrophobicContact CG1-CB 3.51Å; C406-R408 VanDerWaalsContact C-N 3.3Å; C406-R408 PolarHBondContact O-N 3.42Å; R408-V415 HydrophobicContact CB-CG1 4.2Å; R408-Y416 CarbonylContact C-O 3.59Å; R408-Y416 WeakPolarHBondContact CA-O 3.42Å
409	I	59.5	Low	64.2	Low	32 Å²	32	88.6 Å²	88.6	16%	0.164	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.8	166.2	-70.2	-175.4	0	0	0	108.2	V411 V415 Y416 R418 F421	I409-V411 HydrophobicContact CG2-CG2 3.8Å; I409-V415 CarbonylContact O-C 3.58Å; I409-Y416 PolarHBondContact N-O 3.14Å; I409-Y416 PolarHBondContact O-N 2.95Å; I409-R418 HydrophobicContact CD1-CB 4.32Å; I409-R418 HydrophobicContact CD1-CG 4.19Å; I409-F421 HydrophobicContact CB-CB 4.31Å; I409-F421 HydrophobicContact CD1-CB 4.04Å; I409-F421 HydrophobicContact CD1-CD1 4.37Å; I409-F421 HydrophobicContact CD1-CG 4.42Å; I409-F421 HydrophobicContact CG2-CB 4.1Å; I409-F421 HydrophobicContact CG2-CD1 4.28Å; I409-F421 HydrophobicContact CG2-CD2 4.13Å; I409-F421 HydrophobicContact CG2-CG 3.87Å
410	C	65.6	Low	63.7	Low	79 Å²	79	85.9 Å²	85.9	53%	0.534	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.6	178.5	-64.1	0	0	0	0	110	K414	C410-K414 CarbonylContact C-O 3.52Å; C410-K414 WeakPolarHBondContact CA-O 3.48Å
411	V	54.8	Low	63	Low	52 Å²	52	86.7 Å²	86.7	32%	0.315	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	128.1	-178.5	171.2	0	0	0	0	109.2	I409 R413 K414 F421	I409-V411 HydrophobicContact CG2-CG2 3.8Å; V411-R413 PolarHBondContact O-N 3.35Å; V411-R413 VanDerWaalsContact O-N 3.17Å; V411-K414 PolarHBondContact N-O 3.37Å; V411-K414 WeakPolarHBondContact O-CB 3.31Å; V411-K414 PolarHBondContact O-N 3.14Å; V411-F421 HydrophobicContact CB-CE2 3.91Å; V411-F421 HydrophobicContact CB-CZ 4.48Å; V411-F421 HydrophobicContact CG1-CE2 4.03Å; V411-F421 HydrophobicContact CG1-CZ 4.37Å; V411-F421 HydrophobicContact CG2-CD2 4.27Å; V411-F421 HydrophobicContact CG2-CE2 3.7Å; V411-F421 HydrophobicContact CG2-CZ 3.93Å
412	Q	55.8	Low	61.9	Low	179 Å²	179	90.3 Å²	90.3	84%	0.836	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	41.1	-178.7	-61.5	-178	-5.4	0	0	113.8	K414	Q412-K414 PolarHBondContact O-N 3.04Å
413	R	56.8	Low	60.6	Low	256 Å²	256	86 Å²	86	97%	0.966	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	4.3	-174.9	-51.9	178.1	177.6	175.1	-1.7	116	V411	V411-R413 PolarHBondContact O-N 3.35Å; V411-R413 VanDerWaalsContact O-N 3.17Å
414	K	58.5	Low	58.6	Low	108 Å²	108	87.6 Å²	87.6	47%	0.47	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	146	168.3	-65.8	-179.7	-178.6	179.6	0	110.3	C398 C410 V411 Q412 Y416	C398-K414 HydrophobicContact CB-CB 4.22Å; C398-K414 HydrophobicContact CB-CD 4.34Å; C410-K414 CarbonylContact C-O 3.52Å; C410-K414 WeakPolarHBondContact CA-O 3.48Å; V411-K414 PolarHBondContact N-O 3.37Å; V411-K414 WeakPolarHBondContact O-CB 3.31Å; V411-K414 PolarHBondContact O-N 3.14Å; Q412-K414 PolarHBondContact O-N 3.04Å; K414-Y416 HydrophobicContact CB-CD2 4.41Å; K414-Y416 HydrophobicContact CB-CE2 3.58Å; K414-Y416 WeakPolarHBondContact CD-OH 3.23Å
415	V	66	Low	57.1	Low	22 Å²	22	90.2 Å²	90.2	13%	0.133	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	142.1	177.5	-169.2	0	0	0	0	109.5	D395 C397 C398 V404 R408 I409	D395-V415 HydrophobicContact CB-CG1 4.34Å; C397-V415 WeakPolarHBondContact CA-O 3.49Å; C398-V415 PolarHBondContact N-O 3.45Å; V404-V415 HydrophobicContact CB-CG1 4.31Å; V404-V415 HydrophobicContact CG1-CG1 4.34Å; V404-V415 HydrophobicContact CG2-CG1 4.18Å; R408-V415 HydrophobicContact CB-CG1 4.2Å; I409-V415 CarbonylContact O-C 3.58Å
416	Y	65.6	Low	55.7	Low	33 Å²	33	92 Å²	92	13%	0.129	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.4	178.2	-59.9	-96.4	0	0	0	110.5	C398 D399 R408 I409 K414 F421	C398-Y416 HydrophobicContact CB-CD1 4.37Å; C398-Y416 HydrophobicContact CB-CE1 3.86Å; D399-Y416 HydrophobicContact CB-CD1 3.95Å; D399-Y416 HydrophobicContact CB-CE1 4.09Å; R408-Y416 CarbonylContact C-O 3.59Å; R408-Y416 WeakPolarHBondContact CA-O 3.42Å; I409-Y416 PolarHBondContact N-O 3.14Å; I409-Y416 PolarHBondContact O-N 2.95Å; K414-Y416 HydrophobicContact CB-CD2 4.41Å; K414-Y416 HydrophobicContact CB-CE2 3.58Å; K414-Y416 WeakPolarHBondContact CD-OH 3.23Å; Y416-F421 HydrophobicContact CD1-CD2 4.44Å; Y416-F421 AromaticContact CD2-CD2 3.8Å; Y416-F421 HydrophobicContact CD2-CD2 3.8Å; Y416-F421 HydrophobicContact CE2-CD2 4.03Å; Y416-F421 HydrophobicContact CE2-CE2 4.44Å; Y416-F421 HydrophobicContact CG-CB 4.2Å; Y416-F421 HydrophobicContact CG-CD2 4.03Å
417	H	72.3	Confident	54.6	Low	39 Å²	39	91.3 Å²	91.3	18%	0.181	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	149.8	156.7	-54.7	93.3	0	0	0	109.6	C397 C400 F402 E403 D407 G419 C420 F421	C397-H417 WeakPolarHBondContact CB-ND1 3.36Å; C400-H417 PolarHBondContact SG-ND1 2.76Å; F402-H417 PolarHBondContact O-CE1 2.83Å; E403-H417 PolarHBondContact O-CE1 3.2Å; E403-H417 PolarHBondContact O-NE2 3.43Å; D407-H417 CarbonylContact O-C 3.48Å; H417-G419 PolarHBondContact O-N 3.35Å; H417-G419 VanDerWaalsContact O-N 3.13Å; H417-C420 HydrophobicContact CB-CB 4.17Å; H417-C420 PolarHBondContact O-N 3.19Å; H417-F421 PolarHBondContact O-N 3.25Å
418	R	59.6	Low	53.3	Low	129 Å²	129	91.9 Å²	91.9	49%	0.487	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-34.8	177.6	-175	175.5	-173	166.4	4.5	114.5	D407 I409	D407-R418 HydrophobicContact CB-CB 3.88Å; D407-R418 WeakPolarHBondContact O-CB 3.33Å; D407-R418 PolarHBondContact O-N 3Å; D407-R418 WeakPolarHBondContact OD1-CD 3.35Å; D407-R418 IonicContact OD1-NH1 2.82Å; D407-R418 PolarHBondContact OD1-NH1 2.83Å; I409-R418 HydrophobicContact CD1-CB 4.32Å; I409-R418 HydrophobicContact CD1-CG 4.19Å
419	G	65.4	Low	51.7	Low	74 Å²	74	87.1 Å²	87.1	76%	0.763	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.3	176.2	0	0	0	0	0	115.2	H417	H417-G419 PolarHBondContact O-N 3.35Å; H417-G419 VanDerWaalsContact O-N 3.13Å
420	C	64.4	Low	50.2	Low	25 Å²	25	89.9 Å²	89.9	17%	0.169	49%	0.492	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-18.1	-178.5	-63.3	0	0	0	0	112.4	C397 D399 C400 H417 K422	C397-C420 VanDerWaalsContact SG-CB 3.56Å; D399-C420 HydrophobicContact CB-CB 4.1Å; D399-C420 WeakPolarHBondContact OD2-CB 3.4Å; C400-C420 VanDerWaalsContact SG-SG 3.66Å; H417-C420 HydrophobicContact CB-CB 4.17Å; H417-C420 PolarHBondContact O-N 3.19Å; C420-K422 PolarHBondContact O-N 3.44Å
421	F	62.3	Low	48.3	Very low	58 Å²	58	97.2 Å²	97.2	25%	0.254	51%	0.508	S	S	.	.			trans	-69.5	103.2	168.2	-176.8	-102.3	0	0	0	110.8	I409 V411 Y416 H417	I409-F421 HydrophobicContact CB-CB 4.31Å; I409-F421 HydrophobicContact CD1-CB 4.04Å; I409-F421 HydrophobicContact CD1-CD1 4.37Å; I409-F421 HydrophobicContact CD1-CG 4.42Å; I409-F421 HydrophobicContact CG2-CB 4.1Å; I409-F421 HydrophobicContact CG2-CD1 4.28Å; I409-F421 HydrophobicContact CG2-CD2 4.13Å; I409-F421 HydrophobicContact CG2-CG 3.87Å; V411-F421 HydrophobicContact CB-CE2 3.91Å; V411-F421 HydrophobicContact CB-CZ 4.48Å; V411-F421 HydrophobicContact CG1-CE2 4.03Å; V411-F421 HydrophobicContact CG1-CZ 4.37Å; V411-F421 HydrophobicContact CG2-CD2 4.27Å; V411-F421 HydrophobicContact CG2-CE2 3.7Å; V411-F421 HydrophobicContact CG2-CZ 3.93Å; Y416-F421 HydrophobicContact CD1-CD2 4.44Å; Y416-F421 AromaticContact CD2-CD2 3.8Å; Y416-F421 HydrophobicContact CD2-CD2 3.8Å; Y416-F421 HydrophobicContact CE2-CD2 4.03Å; Y416-F421 HydrophobicContact CE2-CE2 4.44Å; Y416-F421 HydrophobicContact CG-CB 4.2Å; Y416-F421 HydrophobicContact CG-CD2 4.03Å; H417-F421 PolarHBondContact O-N 3.25Å
422	K	53.2	Low	47	Very low	127 Å²	127	97.6 Å²	97.6	55%	0.552	51%	0.511	S	S	*	.			trans	-100	142.2	165.1	-62.8	163.7	-165.7	133.2	0	108	D399 C420 S424	D399-K422 IonicContact OD1-NZ 3.97Å; D399-K422 IonicContact OD2-NZ 3.5Å; C420-K422 PolarHBondContact O-N 3.44Å; K422-S424 PolarHBondContact O-N 2.93Å
423	C	46.3	Very low	45.7	Very low	57 Å²	57	97.6 Å²	97.6	39%	0.385	50%	0.503	S	S	.	.			trans	-77.7	61	175.3	-168.4	0	0	0	0	110.6	S425	C423-S425 PolarHBondContact O-N 2.88Å
424	S	33.9	Very low	44.4	Very low	110 Å²	110	92.2 Å²	92.2	77%	0.769	49%	0.488	S	S	*	.			trans	-77.3	61.3	-172.4	66	0	0	0	0	112.5	K422	K422-S424 PolarHBondContact O-N 2.93Å
425	S	33.5	Very low	43.2	Very low	65 Å²	65	92.8 Å²	92.8	46%	0.455	49%	0.488	S	S	.	.			trans	-155	111.5	167.6	60	0	0	0	0	109.9	C423 V427	C423-S425 PolarHBondContact O-N 2.88Å; S425-V427 PolarHBondContact O-N 3.24Å; S425-V427 VanDerWaalsContact O-N 3.08Å
426	E	28.5	Very low	41.6	Very low	159 Å²	159	95.6 Å²	95.6	74%	0.743	51%	0.505	S	S	*	.			trans	-61.8	109.1	153.8	-66.2	-171.2	130	0	0	107.1	S428	E426-S428 PolarHBondContact O-N 3.29Å; E426-S428 PolarHBondContact O-OG 3.41Å
427	V	30.2	Very low	40.1	Very low	61 Å²	61	100.5 Å²	100.5	37%	0.37	53%	0.528	S	S	.	.	B	Isolated β-bridge	trans	-83.5	66.6	167.2	-172.7	0	0	0	0	106.7	S425 G429 L430 V453	S425-V427 PolarHBondContact O-N 3.24Å; S425-V427 VanDerWaalsContact O-N 3.08Å; V427-G429 PolarHBondContact O-N 3.13Å; V427-L430 HydrophobicContact CG1-CB 4.27Å; V427-L430 HydrophobicContact CG1-CD1 4Å; V427-L430 HydrophobicContact CG1-CG 3.98Å; V427-L430 PolarHBondContact O-N 3.18Å; V427-V453 HydrophobicContact CB-CB 4.27Å; V427-V453 PolarHBondContact N-O 2.88Å
428	S	26.6	Very low	38.2	Very low	106 Å²	106	104 Å²	104	74%	0.741	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	41.1	-179.6	46.2	0	0	0	0	112.5	E426	E426-S428 PolarHBondContact O-N 3.29Å; E426-S428 PolarHBondContact O-OG 3.41Å
429	G	26.4	Very low	37.1	Very low	58 Å²	58	100 Å²	100	60%	0.598	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-159.1	4.5	-174.5	0	0	0	0	0	115.6	V427 R431	V427-G429 PolarHBondContact O-N 3.13Å; G429-R431 PolarHBondContact O-N 3.41Å
430	L	27.6	Very low	35.8	Very low	91 Å²	91	109 Å²	109	48%	0.476	56%	0.558	S	S	.	*			trans	-74.3	62.8	-179.4	-112.7	172.5	0	0	0	113.2	V427 V432 V453	V427-L430 HydrophobicContact CG1-CB 4.27Å; V427-L430 HydrophobicContact CG1-CD1 4Å; V427-L430 HydrophobicContact CG1-CG 3.98Å; V427-L430 PolarHBondContact O-N 3.18Å; L430-V432 PolarHBondContact O-N 2.76Å; L430-V453 HydrophobicContact CB-CG2 4.39Å; L430-V453 HydrophobicContact CD1-CB 4.39Å; L430-V453 HydrophobicContact CD1-CG2 3.75Å
431	R	26.4	Very low	34.3	Very low	233 Å²	233	112.8 Å²	112.8	88%	0.879	58%	0.58	S	S	*	*			trans	-66.5	95.1	169.6	-65.1	-172.4	-174.6	-169.1	2.9	109.4	G429 R433	G429-R431 PolarHBondContact O-N 3.41Å; R431-R433 PolarHBondContact O-N 2.86Å
432	V	27.9	Very low	33.1	Very low	60 Å²	60	114.2 Å²	114.2	36%	0.364	61%	0.611	S	S	.	*			trans	-50.4	130.6	163	-178.9	0	0	0	0	107.9	Y49 L430 E434 A451	Y49-V432 HydrophobicContact CE1-CG1 4.25Å; L430-V432 PolarHBondContact O-N 2.76Å; V432-E434 PolarHBondContact O-N 3.19Å; V432-A451 HydrophobicContact CG2-CB 3.76Å
433	R	28.6	Very low	32.3	Very low	179 Å²	179	114.1 Å²	114.1	68%	0.675	62%	0.616	S	S	*	*			trans	-67.7	130.6	-178.1	-81.3	-175.4	171.2	176.3	-2.4	109.3	Y49 R431 R435	Y49-R433 PolarHBondContact OH-N 3.33Å; R431-R433 PolarHBondContact O-N 2.86Å; R433-R435 PolarHBondContact O-N 2.77Å; R433-R435 VanDerWaalsContact O-N 3.07Å
434	E	30.4	Very low	31.6	Very low	142 Å²	142	113.5 Å²	113.5	66%	0.664	62%	0.619	S	S	*	*			trans	-66	102.2	-177.2	-171.8	173	-155	0	0	111.2	V432 V436 L448	V432-E434 PolarHBondContact O-N 3.19Å; E434-V436 HydrophobicContact CG-CG2 4.01Å; E434-L448 WeakPolarHBondContact OE1-CD1 3.2Å
435	R	31.3	Very low	31.9	Very low	120 Å²	120	108.8 Å²	108.8	45%	0.453	59%	0.587	S	S	.	*			trans	-91.2	90.7	163.7	-84.4	-168.7	178	174.6	3.5	109.1	R433 H437	R433-R435 PolarHBondContact O-N 2.77Å; R433-R435 VanDerWaalsContact O-N 3.07Å; R435-H437 PolarHBondContact O-N 2.99Å
436	V	34.1	Very low	32.2	Very low	81 Å²	81	108 Å²	108	49%	0.491	58%	0.58	S	S	.	*			trans	-65.7	102	163	-176.8	0	0	0	0	107.9	E434 P438 V446	E434-V436 HydrophobicContact CG-CG2 4.01Å; V436-P438 WeakPolarHBondContact O-CD 3.33Å; V436-V446 HydrophobicContact CG1-CG2 4.38Å; V436-V446 HydrophobicContact CG2-CG1 4.47Å
437	H	33.5	Very low	32.9	Very low	136 Å²	136	105.9 Å²	105.9	63%	0.63	57%	0.565	S	S	*	*			trans	-80.4	112.4	168.6	-88	-66.4	0	0	0	109.4	R435 S439	R435-H437 PolarHBondContact O-N 2.99Å; H437-S439 PolarHBondContact O-N 3.15Å; H437-S439 VanDerWaalsContact O-N 3.12Å
438	P	33.1	Very low	33.5	Very low	113 Å²	113	105.7 Å²	105.7	73%	0.734	56%	0.562	S	S	*	*			trans	-67.2	112.8	170.4	28.1	-33.2	0	0	0	108.8	V436 R440	V436-P438 WeakPolarHBondContact O-CD 3.33Å; P438-R440 PolarHBondContact O-N 3.35Å
439	S	34.8	Very low	34.3	Very low	46 Å²	46	106 Å²	106	32%	0.322	55%	0.547	S	S	.	.			trans	-61.9	126.9	172	54	0	0	0	0	109.4	H437 T441	H437-S439 PolarHBondContact O-N 3.15Å; H437-S439 VanDerWaalsContact O-N 3.12Å; S439-T441 CarbonylContact O-C 3.59Å; S439-T441 PolarHBondContact O-N 3.4Å; S439-T441 VanDerWaalsContact O-N 3.07Å; S439-T441 PolarHBondContact OG-O 3.28Å
440	R	38.1	Very low	35.2	Very low	263 Å²	263	108.5 Å²	108.5	99%	0.992	54%	0.538	S	S	*	.	S	Bend	trans	-62	-15	176.2	-76.7	-175.2	170.9	-174.2	-3.3	113.4	P438	P438-R440 PolarHBondContact O-N 3.35Å
441	T	34.6	Very low	35.9	Very low	103 Å²	103	104.8 Å²	104.8	63%	0.632	52%	0.521	S	S	*	.	S	Bend	trans	-81.4	123.6	163	51	0	0	0	0	110	S439 L443	S439-T441 CarbonylContact O-C 3.59Å; S439-T441 PolarHBondContact O-N 3.4Å; S439-T441 VanDerWaalsContact O-N 3.07Å; S439-T441 PolarHBondContact OG-O 3.28Å; T441-L443 PolarHBondContact O-N 3.05Å
442	G	35.4	Very low	36.8	Very low	88 Å²	88	96.8 Å²	96.8	91%	0.907	50%	0.498	S	S	*	.	S	Bend	trans	-68.4	31.2	-173.3	0	0	0	0	0	117.6
443	L	37.6	Very low	37.4	Very low	126 Å²	126	95.1 Å²	95.1	66%	0.66	49%	0.488	S	S	*	.	S	Bend	trans	-120	90.9	171.9	-70.8	170	0	0	0	107.6	T441 A445	T441-L443 PolarHBondContact O-N 3.05Å; L443-A445 PolarHBondContact O-N 3.32Å
444	G	31.7	Very low	38.6	Very low	43 Å²	43	87.5 Å²	87.5	44%	0.443	47%	0.465	S	S	.	.			trans	-63.9	96.9	-169.1	0	0	0	0	0	113.6
445	A	39.7	Very low	39	Very low	12 Å²	12	87.2 Å²	87.2	10%	0.099	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	105	168.8	0	0	0	0	0	109.6	L443 Y447 A464 V465	L443-A445 PolarHBondContact O-N 3.32Å; A445-Y447 HydrophobicContact CB-CE2 3.88Å; A445-Y447 WeakPolarHBondContact O-CD2 3.48Å; A445-A464 CarbonylContact C-O 3.54Å; A445-A464 WeakPolarHBondContact CA-O 3.44Å; A445-V465 HydrophobicContact CB-CG2 4.1Å
446	V	39.1	Very low	39.7	Very low	49 Å²	49	86.1 Å²	86.1	30%	0.297	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.9	173.1	-178.3	0	0	0	0	108.5	V436 L448 A464	V436-V446 HydrophobicContact CG1-CG2 4.38Å; V436-V446 HydrophobicContact CG2-CG1 4.47Å; V446-L448 HydrophobicContact CG1-CD1 4.47Å; V446-A464 HydrophobicContact CB-CB 4.4Å; V446-A464 PolarHBondContact N-O 3.26Å; V446-A464 PolarHBondContact O-N 2.81Å
447	Y	43	Very low	40.3	Very low	114 Å²	114	84.1 Å²	84.1	45%	0.447	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	102.1	175.2	-69.7	-96.1	0	0	0	108.7	A445 W449 E462 R463	A445-Y447 HydrophobicContact CB-CE2 3.88Å; A445-Y447 WeakPolarHBondContact O-CD2 3.48Å; Y447-W449 VanDerWaalsContact O-CD1 3.31Å; Y447-E462 WeakPolarHBondContact CA-O 3.29Å; Y447-R463 HydrophobicContact CD1-CB 4.31Å; Y447-R463 HydrophobicContact CD1-CG 4.21Å; Y447-R463 HydrophobicContact CE1-CB 4.18Å; Y447-R463 HydrophobicContact CE1-CG 3.79Å; Y447-R463 HydrophobicContact CE2-CG 4.49Å; Y447-R463 PolarHBondContact OH-NE 2.79Å; Y447-R463 VanDerWaalsContact OH-NE 3.13Å
448	L	43.5	Very low	40.9	Very low	57 Å²	57	84 Å²	84	30%	0.298	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122	171.5	-128.1	84.4	0	0	0	108.6	E434 V446 T461 E462	E434-L448 WeakPolarHBondContact OE1-CD1 3.2Å; V446-L448 HydrophobicContact CG1-CD1 4.47Å; L448-T461 CarbonylContact O-C 3.55Å; L448-T461 VanDerWaalsContact O-CA 3.31Å; L448-T461 WeakPolarHBondContact O-CA 3.41Å; L448-E462 HydrophobicContact CB-CB 3.9Å; L448-E462 PolarHBondContact N-O 3.21Å; L448-E462 PolarHBondContact O-N 3.4Å
449	W	44.4	Very low	41.6	Very low	111 Å²	111	81 Å²	81	42%	0.42	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.4	172.1	-66.1	77.7	0	0	0	108.9	V56 Y447 T461	V56-W449 HydrophobicContact CG1-CH2 4.14Å; Y447-W449 VanDerWaalsContact O-CD1 3.31Å; W449-T461 HydrophobicContact CD2-CG2 3.75Å; W449-T461 HydrophobicContact CE3-CG2 3.46Å; W449-T461 VanDerWaalsContact CE3-CG2 3.46Å; W449-T461 HydrophobicContact CH2-CG2 3.6Å; W449-T461 HydrophobicContact CZ2-CG2 3.87Å; W449-T461 HydrophobicContact CZ3-CG2 3.38Å
450	R	44.5	Very low	42.2	Very low	112 Å²	112	79.4 Å²	79.4	42%	0.423	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.9	176.1	-172	-172.6	-57.5	127.7	12.2	108.7	S460 E462	R450-S460 PolarHBondContact N-O 3.04Å; R450-S460 PolarHBondContact O-N 3.43Å; R450-S460 PolarHBondContact O-OG 3.08Å; R450-E462 IonicContact CZ-OE1 2.72Å; R450-E462 IonicContact NH1-OE1 3.37Å; R450-E462 PolarHBondContact NH1-OE1 3.43Å; R450-E462 VanDerWaalsContact NH2-CD 3.31Å; R450-E462 IonicContact NH2-OE1 2.91Å; R450-E462 PolarHBondContact NH2-OE1 2.84Å; R450-E462 IonicContact NH2-OE2 2.74Å; R450-E462 PolarHBondContact NH2-OE2 2.89Å; R450-E462 VanDerWaalsContact NH2-OE2 3.16Å
451	A	42.5	Very low	42.5	Very low	13 Å²	13	68.4 Å²	68.4	11%	0.107	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136	166	0	0	0	0	0	109	V432 R458 L459	V432-A451 HydrophobicContact CG2-CB 3.76Å; A451-R458 CarbonylContact C-O 3.54Å; A451-R458 VanDerWaalsContact CA-O 3.28Å; A451-R458 WeakPolarHBondContact CA-O 3.43Å; A451-L459 HydrophobicContact CB-CD2 3.75Å
452	T	45.6	Very low	43.1	Very low	65 Å²	65	66.3 Å²	66.3	40%	0.399	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.8	162.5	45.3	0	0	0	0	109.7	R458	T452-R458 PolarHBondContact N-O 3.04Å; T452-R458 PolarHBondContact O-N 3.5Å; T452-R458 WeakPolarHBondContact OG1-CB 3.36Å
453	V	40.7	Very low	43.7	Very low	25 Å²	25	66.6 Å²	66.6	15%	0.152	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	101.1	-171.1	-176.9	0	0	0	0	108.9	V427 L430 L457 L479	V427-V453 HydrophobicContact CB-CB 4.27Å; V427-V453 PolarHBondContact N-O 2.88Å; L430-V453 HydrophobicContact CB-CG2 4.39Å; L430-V453 HydrophobicContact CD1-CB 4.39Å; L430-V453 HydrophobicContact CD1-CG2 3.75Å; V453-L457 HydrophobicContact CG2-CD1 3.87Å; V453-L479 HydrophobicContact CG1-CD1 3.96Å
454	G	52.2	Low	44.1	Very low	19 Å²	19	62.7 Å²	62.7	20%	0.196	32%	0.318	C	S	.	.	S	Bend	trans	-119.4	-141.7	159.4	0	0	0	0	0	108.3	K456 L479	G454-K456 PolarHBondContact N-O 3.06Å; G454-K456 VanDerWaalsContact N-O 3.15Å; G454-K456 PolarHBondContact O-N 2.84Å; G454-L479 WeakPolarHBondContact O-CD1 3.35Å
455	D	40.5	Very low	44.8	Very low	135 Å²	135	62.4 Å²	62.4	72%	0.722	31%	0.307	S	S	*	.	S	Bend	trans	-52.2	-26.5	171.2	-57.8	-32.9	0	0	0	113.2	L479	D455-L479 PolarHBondContact O-N 3.44Å
456	K	45	Very low	45.2	Very low	97 Å²	97	67.2 Å²	67.2	42%	0.422	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.6	171.8	-65.2	171	169.3	-175.7	0	110.2	G454 R458 E476 I477	G454-K456 PolarHBondContact N-O 3.06Å; G454-K456 VanDerWaalsContact N-O 3.15Å; G454-K456 PolarHBondContact O-N 2.84Å; K456-R458 PolarHBondContact O-N 3.01Å; K456-E476 HydrophobicContact CD-CB 4.29Å; K456-E476 VanDerWaalsContact CD-OE2 3.32Å; K456-E476 WeakPolarHBondContact CD-OE2 3.29Å; K456-E476 WeakPolarHBondContact CE-OE2 3.4Å; K456-E476 IonicContact NZ-OE2 2.72Å; K456-E476 PolarHBondContact NZ-OE2 2.9Å; K456-I477 CarbonylContact C-O 3.57Å; K456-I477 VanDerWaalsContact CA-O 3.27Å; K456-I477 WeakPolarHBondContact CA-O 3.22Å
457	L	46.3	Very low	45.5	Very low	40 Å²	40	71.3 Å²	71.3	21%	0.209	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	110.2	156.2	175.3	64.3	0	0	0	107.9	V453 L459 I477 L479	V453-L457 HydrophobicContact CG2-CD1 3.87Å; L457-L459 HydrophobicContact CD1-CD2 3.94Å; L457-L459 HydrophobicContact CD1-CG 4.49Å; L457-L459 HydrophobicContact CD2-CG 4.47Å; L457-L459 HydrophobicContact CG-CD2 4.22Å; L457-L459 HydrophobicContact CG-CG 4.23Å; L457-I477 PolarHBondContact N-O 2.79Å; L457-I477 PolarHBondContact O-N 3.44Å; L457-L479 HydrophobicContact CB-CD2 4.12Å
458	R	46.4	Very low	45.3	Very low	132 Å²	132	75.4 Å²	75.4	50%	0.498	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.6	170.9	-72.2	177.2	155.5	158.2	-4.2	108.7	A451 T452 K456 L475 E476	A451-R458 CarbonylContact C-O 3.54Å; A451-R458 VanDerWaalsContact CA-O 3.28Å; A451-R458 WeakPolarHBondContact CA-O 3.43Å; T452-R458 PolarHBondContact N-O 3.04Å; T452-R458 PolarHBondContact O-N 3.5Å; T452-R458 WeakPolarHBondContact OG1-CB 3.36Å; K456-R458 PolarHBondContact O-N 3.01Å; R458-L475 WeakPolarHBondContact CA-O 3.26Å; R458-E476 HydrophobicContact CG-CG 4.18Å; R458-E476 IonicContact CZ-OE1 3.28Å; R458-E476 IonicContact NE-OE1 3.56Å; R458-E476 PolarHBondContact NE-OE1 3.45Å; R458-E476 IonicContact NH2-OE1 3.32Å; R458-E476 PolarHBondContact NH2-OE1 3.08Å
459	L	47.2	Very low	45.4	Very low	52 Å²	52	77.7 Å²	77.7	27%	0.272	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	120.2	167.9	-58.9	-179.9	0	0	0	108.5	A451 L457 H474 L475	A451-L459 HydrophobicContact CB-CD2 3.75Å; L457-L459 HydrophobicContact CD1-CD2 3.94Å; L457-L459 HydrophobicContact CD1-CG 4.49Å; L457-L459 HydrophobicContact CD2-CG 4.47Å; L457-L459 HydrophobicContact CG-CD2 4.22Å; L457-L459 HydrophobicContact CG-CG 4.23Å; L459-H474 WeakPolarHBondContact O-CA 3.3Å; L459-L475 HydrophobicContact CB-CB 4.43Å; L459-L475 PolarHBondContact N-O 2.88Å; L459-L475 PolarHBondContact O-N 2.92Å
460	S	47.3	Very low	45.5	Very low	11 Å²	11	75.8 Å²	75.8	8%	0.077	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.7	172.5	64.2	0	0	0	0	112.4	R450 C473 H474	R450-S460 PolarHBondContact N-O 3.04Å; R450-S460 PolarHBondContact O-N 3.43Å; R450-S460 PolarHBondContact O-OG 3.08Å; S460-C473 CarbonylContact C-O 3.59Å; S460-C473 VanDerWaalsContact CA-O 3.24Å; S460-C473 WeakPolarHBondContact CA-O 3.21Å; S460-H474 VanDerWaalsContact CB-ND1 3.33Å; S460-H474 WeakPolarHBondContact CB-ND1 3.36Å
461	T	44.6	Very low	45.6	Very low	32 Å²	32	76.6 Å²	76.6	20%	0.196	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.6	174.1	63.7	0	0	0	0	110.1	L448 W449 S472 C473	L448-T461 CarbonylContact O-C 3.55Å; L448-T461 VanDerWaalsContact O-CA 3.31Å; L448-T461 WeakPolarHBondContact O-CA 3.41Å; W449-T461 HydrophobicContact CD2-CG2 3.75Å; W449-T461 HydrophobicContact CE3-CG2 3.46Å; W449-T461 VanDerWaalsContact CE3-CG2 3.46Å; W449-T461 HydrophobicContact CH2-CG2 3.6Å; W449-T461 HydrophobicContact CZ2-CG2 3.87Å; W449-T461 HydrophobicContact CZ3-CG2 3.38Å; T461-S472 VanDerWaalsContact O-CA 3.26Å; T461-S472 WeakPolarHBondContact O-CA 3.38Å; T461-C473 PolarHBondContact N-O 2.89Å; T461-C473 PolarHBondContact O-N 3.23Å
462	E	48.8	Very low	45.8	Very low	59 Å²	59	79.1 Å²	79.1	28%	0.276	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.1	173	-67.1	168.4	-169.3	0	0	108.9	Y447 L448 R450	Y447-E462 WeakPolarHBondContact CA-O 3.29Å; L448-E462 HydrophobicContact CB-CB 3.9Å; L448-E462 PolarHBondContact N-O 3.21Å; L448-E462 PolarHBondContact O-N 3.4Å; R450-E462 IonicContact CZ-OE1 2.72Å; R450-E462 IonicContact NH1-OE1 3.37Å; R450-E462 PolarHBondContact NH1-OE1 3.43Å; R450-E462 VanDerWaalsContact NH2-CD 3.31Å; R450-E462 IonicContact NH2-OE1 2.91Å; R450-E462 PolarHBondContact NH2-OE1 2.84Å; R450-E462 IonicContact NH2-OE2 2.74Å; R450-E462 PolarHBondContact NH2-OE2 2.89Å; R450-E462 VanDerWaalsContact NH2-OE2 3.16Å
463	R	46.3	Very low	45.5	Very low	95 Å²	95	79.7 Å²	79.7	36%	0.358	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	101.9	174.8	-169.5	-171.3	-174	-160.2	-0.2	110.1	Y447 V465 V470 H471	Y447-R463 HydrophobicContact CD1-CB 4.31Å; Y447-R463 HydrophobicContact CD1-CG 4.21Å; Y447-R463 HydrophobicContact CE1-CB 4.18Å; Y447-R463 HydrophobicContact CE1-CG 3.79Å; Y447-R463 HydrophobicContact CE2-CG 4.49Å; Y447-R463 PolarHBondContact OH-NE 2.79Å; Y447-R463 VanDerWaalsContact OH-NE 3.13Å; R463-V465 HydrophobicContact CG-CG2 4.05Å; R463-V470 PolarHBondContact O-N 3.06Å; R463-H471 PolarHBondContact N-O 3.11Å
464	A	47.7	Very low	45.9	Very low	43 Å²	43	84.7 Å²	84.7	36%	0.355	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.5	169.1	0	0	0	0	0	110	A445 V446 R468	A445-A464 CarbonylContact C-O 3.54Å; A445-A464 WeakPolarHBondContact CA-O 3.44Å; V446-A464 HydrophobicContact CB-CB 4.4Å; V446-A464 PolarHBondContact N-O 3.26Å; V446-A464 PolarHBondContact O-N 2.81Å; A464-R468 WeakPolarHBondContact CA-O 3.38Å
465	V	46.4	Very low	45.5	Very low	37 Å²	37	87.5 Å²	87.5	22%	0.224	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.3	171.8	-174.5	0	0	0	0	107	A445 R463 S467 R468 V470	A445-V465 HydrophobicContact CB-CG2 4.1Å; R463-V465 HydrophobicContact CG-CG2 4.05Å; V465-S467 PolarHBondContact O-N 3.47Å; V465-R468 PolarHBondContact N-O 3.39Å; V465-R468 PolarHBondContact O-N 3.48Å; V465-R468 VanDerWaalsContact O-N 3.07Å; V465-V470 HydrophobicContact CB-CG2 3.95Å; V465-V470 HydrophobicContact CG2-CG2 4.02Å
466	N	47.3	Very low	45.7	Very low	113 Å²	113	85.1 Å²	85.1	60%	0.604	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.2	67.7	177.4	-62.8	-1.3	0	0	0	113.1	R468	N466-R468 PolarHBondContact O-N 2.93Å
467	S	44.3	Very low	45.8	Very low	136 Å²	136	83.2 Å²	83.2	95%	0.951	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	12.8	-179.5	62.3	0	0	0	0	117.7	V465	V465-S467 PolarHBondContact O-N 3.47Å
468	R	40.1	Very low	45.8	Very low	200 Å²	200	83.1 Å²	83.1	76%	0.755	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	132.2	168.2	-63.7	-176.3	179.1	-176.7	-0.6	111.1	A464 V465 N466 V470	A464-R468 WeakPolarHBondContact CA-O 3.38Å; V465-R468 PolarHBondContact N-O 3.39Å; V465-R468 PolarHBondContact O-N 3.48Å; V465-R468 VanDerWaalsContact O-N 3.07Å; N466-R468 PolarHBondContact O-N 2.93Å; R468-V470 PolarHBondContact O-N 3.09Å
469	S	45.8	Very low	45.8	Very low	105 Å²	105	78.6 Å²	78.6	73%	0.734	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	108	165.9	39.3	0	0	0	0	108.6
470	V	45.5	Very low	45.5	Very low	71 Å²	71	77.8 Å²	77.8	43%	0.43	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-43.6	-170.9	-179.9	0	0	0	0	111.5	R463 V465 R468	R463-V470 PolarHBondContact O-N 3.06Å; V465-V470 HydrophobicContact CB-CG2 3.95Å; V465-V470 HydrophobicContact CG2-CG2 4.02Å; R468-V470 PolarHBondContact O-N 3.09Å
471	H	47.3	Very low	45.3	Very low	128 Å²	128	82 Å²	82	59%	0.593	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	140.6	174.9	-66.5	-34.7	0	0	0	110.5	R463	R463-H471 PolarHBondContact N-O 3.11Å
472	S	45.9	Very low	45.1	Very low	67 Å²	67	82.7 Å²	82.7	47%	0.469	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	143.4	151.1	65.9	0	0	0	0	109.7	T461 H474	T461-S472 VanDerWaalsContact O-CA 3.26Å; T461-S472 WeakPolarHBondContact O-CA 3.38Å; S472-H474 WeakPolarHBondContact CB-NE2 3.28Å; S472-H474 PolarHBondContact OG-NE2 3.32Å
473	C	40.4	Very low	44.7	Very low	77 Å²	77	84 Å²	84	52%	0.52	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.8	161.3	-64.8	0	0	0	0	107.7	S460 T461	S460-C473 CarbonylContact C-O 3.59Å; S460-C473 VanDerWaalsContact CA-O 3.24Å; S460-C473 WeakPolarHBondContact CA-O 3.21Å; T461-C473 PolarHBondContact N-O 2.89Å; T461-C473 PolarHBondContact O-N 3.23Å
474	H	48.6	Very low	44.4	Very low	130 Å²	130	84.4 Å²	84.4	60%	0.602	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	123.1	179.9	-59.3	-92.4	0	0	0	108.7	L459 S460 S472	L459-H474 WeakPolarHBondContact O-CA 3.3Å; S460-H474 VanDerWaalsContact CB-ND1 3.33Å; S460-H474 WeakPolarHBondContact CB-ND1 3.36Å; S472-H474 WeakPolarHBondContact CB-NE2 3.28Å; S472-H474 PolarHBondContact OG-NE2 3.32Å
475	L	43.5	Very low	44	Very low	78 Å²	78	88.6 Å²	88.6	41%	0.408	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	113.1	170.2	-177.8	67.7	0	0	0	107.7	R458 L459 I477	R458-L475 WeakPolarHBondContact CA-O 3.26Å; L459-L475 HydrophobicContact CB-CB 4.43Å; L459-L475 PolarHBondContact N-O 2.88Å; L459-L475 PolarHBondContact O-N 2.92Å; L475-I477 HydrophobicContact CD2-CD1 3.95Å; L475-I477 HydrophobicContact CD2-CG1 4.15Å; L475-I477 HydrophobicContact CG-CD1 4.33Å; L475-I477 HydrophobicContact CG-CG1 3.96Å
476	E	46.1	Very low	43.4	Very low	85 Å²	85	90 Å²	90	40%	0.397	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	127.7	167.4	-52.8	-157.1	144.6	0	0	109.2	K456 R458	K456-E476 HydrophobicContact CD-CB 4.29Å; K456-E476 VanDerWaalsContact CD-OE2 3.32Å; K456-E476 WeakPolarHBondContact CD-OE2 3.29Å; K456-E476 WeakPolarHBondContact CE-OE2 3.4Å; K456-E476 IonicContact NZ-OE2 2.72Å; K456-E476 PolarHBondContact NZ-OE2 2.9Å; R458-E476 HydrophobicContact CG-CG 4.18Å; R458-E476 IonicContact CZ-OE1 3.28Å; R458-E476 IonicContact NE-OE1 3.56Å; R458-E476 PolarHBondContact NE-OE1 3.45Å; R458-E476 IonicContact NH2-OE1 3.32Å; R458-E476 PolarHBondContact NH2-OE1 3.08Å
477	I	46.7	Very low	43	Very low	57 Å²	57	90 Å²	90	29%	0.292	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	126.9	169	-36.2	179.4	0	0	0	107.5	K456 L457 L475 L479 V482	K456-I477 CarbonylContact C-O 3.57Å; K456-I477 VanDerWaalsContact CA-O 3.27Å; K456-I477 WeakPolarHBondContact CA-O 3.22Å; L457-I477 PolarHBondContact N-O 2.79Å; L457-I477 PolarHBondContact O-N 3.44Å; L475-I477 HydrophobicContact CD2-CD1 3.95Å; L475-I477 HydrophobicContact CD2-CG1 4.15Å; L475-I477 HydrophobicContact CG-CD1 4.33Å; L475-I477 HydrophobicContact CG-CG1 3.96Å; I477-L479 PolarHBondContact O-N 2.86Å; I477-V482 HydrophobicContact CB-CG2 4.12Å; I477-V482 HydrophobicContact CG2-CG2 3.54Å
478	S	46.8	Very low	42.6	Very low	37 Å²	37	85.7 Å²	85.7	26%	0.259	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	133.1	171	175.3	0	0	0	0	109.6	G480 D481 V482	S478-G480 PolarHBondContact O-N 3Å; S478-G480 PolarHBondContact OG-N 2.88Å; S478-G480 VanDerWaalsContact OG-N 3.13Å; S478-D481 VanDerWaalsContact CB-OD2 3.23Å; S478-D481 WeakPolarHBondContact CB-OD2 3.4Å; S478-D481 PolarHBondContact O-N 3.13Å; S478-D481 PolarHBondContact OG-N 3.44Å; S478-V482 PolarHBondContact O-N 2.77Å
479	L	44.6	Very low	42.3	Very low	38 Å²	38	83 Å²	83	20%	0.199	44%	0.44	C	S	.	.	H	α-helix	trans	-62.1	-29.4	170.2	-72.8	-176.6	0	0	0	111	V453 G454 D455 L457 I477 D481 V482 M483	V453-L479 HydrophobicContact CG1-CD1 3.96Å; G454-L479 WeakPolarHBondContact O-CD1 3.35Å; D455-L479 PolarHBondContact O-N 3.44Å; L457-L479 HydrophobicContact CB-CD2 4.12Å; I477-L479 PolarHBondContact O-N 2.86Å; L479-D481 VanDerWaalsContact C-N 3.32Å; L479-D481 PolarHBondContact O-N 3.23Å; L479-V482 PolarHBondContact O-N 2.75Å; L479-M483 WeakPolarHBondContact O-CB 3.4Å; L479-M483 WeakPolarHBondContact O-CG 3.45Å; L479-M483 PolarHBondContact O-N 3.33Å
480	G	40.7	Very low	41.7	Very low	35 Å²	35	79.6 Å²	79.6	36%	0.361	42%	0.417	S	S	.	.	H	α-helix	trans	-60	-40.7	170.2	0	0	0	0	0	112.3	S478 N484	S478-G480 PolarHBondContact O-N 3Å; S478-G480 PolarHBondContact OG-N 2.88Å; S478-G480 VanDerWaalsContact OG-N 3.13Å; G480-N484 WeakPolarHBondContact O-CB 3.48Å; G480-N484 PolarHBondContact O-N 3.45Å; G480-N484 PolarHBondContact O-ND2 2.97Å
481	D	44.2	Very low	41.1	Very low	100 Å²	100	80 Å²	80	54%	0.535	42%	0.417	S	S	.	.	H	α-helix	trans	-75.2	-38.5	178.9	-63.7	-28.5	0	0	0	112.1	S478 L479 N484 W485	S478-D481 VanDerWaalsContact CB-OD2 3.23Å; S478-D481 WeakPolarHBondContact CB-OD2 3.4Å; S478-D481 PolarHBondContact O-N 3.13Å; S478-D481 PolarHBondContact OG-N 3.44Å; L479-D481 VanDerWaalsContact C-N 3.32Å; L479-D481 PolarHBondContact O-N 3.23Å; D481-N484 PolarHBondContact O-N 3.24Å; D481-W485 VanDerWaalsContact O-CB 3.29Å; D481-W485 WeakPolarHBondContact O-CB 3.25Å; D481-W485 PolarHBondContact O-N 3.36Å
482	V	40.6	Very low	40.4	Very low	46 Å²	46	80.8 Å²	80.8	28%	0.279	42%	0.415	S	S	.	.	H	α-helix	trans	-59.9	-48.9	172.1	177.4	0	0	0	0	110.3	I477 S478 L479 W485 V486	I477-V482 HydrophobicContact CB-CG2 4.12Å; I477-V482 HydrophobicContact CG2-CG2 3.54Å; S478-V482 PolarHBondContact O-N 2.77Å; L479-V482 PolarHBondContact O-N 2.75Å; V482-W485 WeakPolarHBondContact O-CB 3.48Å; V482-W485 PolarHBondContact O-N 2.86Å; V482-V486 HydrophobicContact CG1-CG2 4.49Å; V482-V486 WeakPolarHBondContact O-CG2 3.26Å; V482-V486 PolarHBondContact O-N 2.83Å
483	M	40.3	Very low	39.8	Very low	87 Å²	87	82.3 Å²	82.3	43%	0.429	42%	0.417	S	S	.	.	H	α-helix	trans	-65.4	-45.2	178.7	-68	-64.5	-82.9	0	0	111	L479 W485 V486 W487	L479-M483 WeakPolarHBondContact O-CB 3.4Å; L479-M483 WeakPolarHBondContact O-CG 3.45Å; L479-M483 PolarHBondContact O-N 3.33Å; M483-W485 PolarHBondContact O-N 3.41Å; M483-V486 PolarHBondContact O-N 2.98Å; M483-W487 HydrophobicContact CE-CZ2 4.38Å; M483-W487 WeakPolarHBondContact O-CB 3.47Å; M483-W487 PolarHBondContact O-N 3.05Å
484	N	39.4	Very low	39.2	Very low	102 Å²	102	84.2 Å²	84.2	55%	0.545	41%	0.414	S	S	.	.	H	α-helix	trans	-58.1	-36.7	174.8	-76.5	-30.3	0	0	0	112.3	G480 D481 S488	G480-N484 WeakPolarHBondContact O-CB 3.48Å; G480-N484 PolarHBondContact O-N 3.45Å; G480-N484 PolarHBondContact O-ND2 2.97Å; D481-N484 PolarHBondContact O-N 3.24Å; N484-S488 WeakPolarHBondContact O-CB 3.4Å; N484-S488 PolarHBondContact O-N 3.12Å
485	W	38.9	Very low	38.5	Very low	131 Å²	131	81.6 Å²	81.6	50%	0.496	40%	0.402	S	S	.	.	H	α-helix	trans	-67	-53.3	174.5	-171.8	82.3	0	0	0	111.2	D481 V482 M483 W487 S488 W489	D481-W485 VanDerWaalsContact O-CB 3.29Å; D481-W485 WeakPolarHBondContact O-CB 3.25Å; D481-W485 PolarHBondContact O-N 3.36Å; V482-W485 WeakPolarHBondContact O-CB 3.48Å; V482-W485 PolarHBondContact O-N 2.86Å; M483-W485 PolarHBondContact O-N 3.41Å; W485-W487 VanDerWaalsContact C-N 3.35Å; W485-W487 PolarHBondContact O-N 2.95Å; W485-S488 PolarHBondContact O-N 3.14Å; W485-S488 VanDerWaalsContact O-N 3.08Å; W485-S488 PolarHBondContact O-OG 2.7Å; W485-W489 AromaticContact CD2-NE1 3.91Å; W485-W489 AromaticContact CE2-CD1 3.86Å; W485-W489 AromaticContact CE2-NE1 3.28Å; W485-W489 VanDerWaalsContact CE2-NE1 3.28Å; W485-W489 HydrophobicContact CH2-CZ2 4.44Å; W485-W489 AromaticContact CZ2-CE2 3.75Å; W485-W489 AromaticContact CZ2-CZ2 3.95Å; W485-W489 HydrophobicContact CZ2-CZ2 3.95Å; W485-W489 AromaticContact CZ2-NE1 3.37Å; W485-W489 AromaticContact NE1-NE1 3.48Å; W485-W489 PolarHBondContact O-N 3.07Å
486	V	34.5	Very low	37.7	Very low	68 Å²	68	79.6 Å²	79.6	41%	0.412	40%	0.4	S	S	.	.	H	α-helix	trans	-57.5	-44.8	177.4	173	0	0	0	0	111.7	V482 M483 S488 W489 S490	V482-V486 HydrophobicContact CG1-CG2 4.49Å; V482-V486 WeakPolarHBondContact O-CG2 3.26Å; V482-V486 PolarHBondContact O-N 2.83Å; M483-V486 PolarHBondContact O-N 2.98Å; V486-S488 VanDerWaalsContact C-N 3.34Å; V486-S488 PolarHBondContact O-N 3.16Å; V486-W489 PolarHBondContact O-N 3.34Å; V486-W489 VanDerWaalsContact O-N 3.15Å; V486-S490 PolarHBondContact O-N 3.2Å
487	W	39.2	Very low	36.9	Very low	112 Å²	112	79.2 Å²	79.2	42%	0.424	40%	0.4	S	S	.	.	H	α-helix	trans	-64.8	-35.5	176.2	-70.4	121.1	0	0	0	112.5	M483 W485 W489 S490 D491	M483-W487 HydrophobicContact CE-CZ2 4.38Å; M483-W487 WeakPolarHBondContact O-CB 3.47Å; M483-W487 PolarHBondContact O-N 3.05Å; W485-W487 VanDerWaalsContact C-N 3.35Å; W485-W487 PolarHBondContact O-N 2.95Å; W487-W489 VanDerWaalsContact C-N 3.29Å; W487-W489 PolarHBondContact O-N 3Å; W487-S490 WeakPolarHBondContact CA-OG 3.31Å; W487-S490 PolarHBondContact O-N 3.2Å; W487-S490 PolarHBondContact O-OG 3.15Å; W487-D491 PolarHBondContact O-N 3.33Å
488	S	35.9	Very low	36	Very low	46 Å²	46	81.3 Å²	81.3	32%	0.322	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-35.4	173.3	76.6	0	0	0	0	112.1	N484 W485 V486 Y492	N484-S488 WeakPolarHBondContact O-CB 3.4Å; N484-S488 PolarHBondContact O-N 3.12Å; W485-S488 PolarHBondContact O-N 3.14Å; W485-S488 VanDerWaalsContact O-N 3.08Å; W485-S488 PolarHBondContact O-OG 2.7Å; V486-S488 VanDerWaalsContact C-N 3.34Å; V486-S488 PolarHBondContact O-N 3.16Å; S488-Y492 WeakPolarHBondContact O-CD2 3.4Å; S488-Y492 PolarHBondContact O-N 2.98Å
489	W	34.5	Very low	35.1	Very low	142 Å²	142	82.1 Å²	82.1	54%	0.538	42%	0.422	S	S	.	.	H	α-helix	trans	-71.7	-38.7	173.5	-80.6	69.8	0	0	0	112.1	W485 V486 W487 D491 Y492 I493	W485-W489 AromaticContact CD2-NE1 3.91Å; W485-W489 AromaticContact CE2-CD1 3.86Å; W485-W489 AromaticContact CE2-NE1 3.28Å; W485-W489 VanDerWaalsContact CE2-NE1 3.28Å; W485-W489 HydrophobicContact CH2-CZ2 4.44Å; W485-W489 AromaticContact CZ2-CE2 3.75Å; W485-W489 AromaticContact CZ2-CZ2 3.95Å; W485-W489 HydrophobicContact CZ2-CZ2 3.95Å; W485-W489 AromaticContact CZ2-NE1 3.37Å; W485-W489 AromaticContact NE1-NE1 3.48Å; W485-W489 PolarHBondContact O-N 3.07Å; V486-W489 PolarHBondContact O-N 3.34Å; V486-W489 VanDerWaalsContact O-N 3.15Å; W487-W489 VanDerWaalsContact C-N 3.29Å; W487-W489 PolarHBondContact O-N 3Å; W489-D491 VanDerWaalsContact C-N 3.32Å; W489-D491 PolarHBondContact O-N 2.9Å; W489-Y492 PolarHBondContact O-N 3.12Å; W489-I493 VanDerWaalsContact O-CG1 3.29Å; W489-I493 WeakPolarHBondContact O-CG1 3.22Å; W489-I493 PolarHBondContact O-N 2.96Å
490	S	33	Very low	34.3	Very low	34 Å²	34	84.8 Å²	84.8	24%	0.238	44%	0.443	C	S	.	.	H	α-helix	trans	-64.8	-36.6	173.9	65.8	0	0	0	0	112.2	V486 W487 I493 Y494	V486-S490 PolarHBondContact O-N 3.2Å; W487-S490 WeakPolarHBondContact CA-OG 3.31Å; W487-S490 PolarHBondContact O-N 3.2Å; W487-S490 PolarHBondContact O-OG 3.15Å; S490-I493 PolarHBondContact O-N 2.82Å; S490-Y494 WeakPolarHBondContact O-CB 3.24Å; S490-Y494 PolarHBondContact O-N 2.67Å
491	D	32.8	Very low	33.6	Very low	81 Å²	81	86.1 Å²	86.1	43%	0.433	46%	0.457	S	S	.	.	H	α-helix	trans	-64.3	-40.9	172.9	-80.3	-9.8	0	0	0	111.5	W487 W489 Q495	W487-D491 PolarHBondContact O-N 3.33Å; W489-D491 VanDerWaalsContact C-N 3.32Å; W489-D491 PolarHBondContact O-N 2.9Å; D491-Q495 VanDerWaalsContact O-CB 3.26Å; D491-Q495 WeakPolarHBondContact O-CB 3.19Å; D491-Q495 VanDerWaalsContact O-CG 3.23Å; D491-Q495 WeakPolarHBondContact O-CG 3.48Å; D491-Q495 PolarHBondContact O-N 3.5Å
492	Y	31.4	Very low	32.9	Very low	143 Å²	143	88.5 Å²	88.5	56%	0.561	47%	0.465	S	S	*	.	H	α-helix	trans	-64.3	-38.4	172.5	-84.7	-64	0	0	0	112.7	S488 W489 G496	S488-Y492 WeakPolarHBondContact O-CD2 3.4Å; S488-Y492 PolarHBondContact O-N 2.98Å; W489-Y492 PolarHBondContact O-N 3.12Å; Y492-G496 PolarHBondContact O-N 3.38Å
493	I	32.9	Very low	32.2	Very low	100 Å²	100	91.6 Å²	91.6	51%	0.513	49%	0.489	S	S	.	.	H	α-helix	trans	-69.4	-46.6	178.4	-69.8	162.6	0	0	0	110.6	W489 S490 G496 L497	W489-I493 VanDerWaalsContact O-CG1 3.29Å; W489-I493 WeakPolarHBondContact O-CG1 3.22Å; W489-I493 PolarHBondContact O-N 2.96Å; S490-I493 PolarHBondContact O-N 2.82Å; I493-G496 PolarHBondContact O-N 3.17Å; I493-L497 HydrophobicContact CG2-CD1 4.03Å; I493-L497 WeakPolarHBondContact O-CB 3.1Å; I493-L497 WeakPolarHBondContact O-CG 3.15Å; I493-L497 PolarHBondContact O-N 2.68Å
494	Y	29.8	Very low	31.5	Very low	116 Å²	116	94.6 Å²	94.6	46%	0.455	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-44.5	175.6	-106.2	-87.4	0	0	0	111.9	S490 L497 C498	S490-Y494 WeakPolarHBondContact O-CB 3.24Å; S490-Y494 PolarHBondContact O-N 2.67Å; Y494-L497 PolarHBondContact O-N 3.03Å; Y494-C498 WeakPolarHBondContact O-CB 3.27Å; Y494-C498 PolarHBondContact O-N 3.32Å; Y494-C498 PolarHBondContact O-SG 3.06Å
495	Q	31.9	Very low	31	Very low	76 Å²	76	93.5 Å²	93.5	36%	0.355	50%	0.503	S	S	.	.	H	α-helix	trans	-68.1	-35.5	177.3	-70.2	172.4	38.4	0	0	112	D491 C498 V499	D491-Q495 VanDerWaalsContact O-CB 3.26Å; D491-Q495 WeakPolarHBondContact O-CB 3.19Å; D491-Q495 VanDerWaalsContact O-CG 3.23Å; D491-Q495 WeakPolarHBondContact O-CG 3.48Å; D491-Q495 PolarHBondContact O-N 3.5Å; Q495-C498 PolarHBondContact O-N 3.26Å; Q495-V499 WeakPolarHBondContact O-CB 3.17Å; Q495-V499 VanDerWaalsContact O-CG2 3.29Å; Q495-V499 WeakPolarHBondContact O-CG2 3.26Å; Q495-V499 PolarHBondContact O-N 3.31Å
496	G	28.1	Very low	30.4	Very low	35 Å²	35	97.4 Å²	97.4	36%	0.361	52%	0.519	S	S	.	.	H	α-helix	trans	-61	-48.7	172.4	0	0	0	0	0	112.3	Y492 I493 C498 V499 C500	Y492-G496 PolarHBondContact O-N 3.38Å; I493-G496 PolarHBondContact O-N 3.17Å; G496-C498 PolarHBondContact O-N 3.48Å; G496-V499 PolarHBondContact O-N 3.16Å; G496-C500 PolarHBondContact O-N 3.01Å; G496-C500 PolarHBondContact O-SG 3.3Å
497	L	27.9	Very low	30	Very low	77 Å²	77	97.8 Å²	97.8	40%	0.403	53%	0.53	S	S	.	.	H	α-helix	trans	-61.2	-44.2	176.7	-71.7	168.3	0	0	0	112	I493 Y494 V499 C500 V505	I493-L497 HydrophobicContact CG2-CD1 4.03Å; I493-L497 WeakPolarHBondContact O-CB 3.1Å; I493-L497 WeakPolarHBondContact O-CG 3.15Å; I493-L497 PolarHBondContact O-N 2.68Å; Y494-L497 PolarHBondContact O-N 3.03Å; L497-V499 VanDerWaalsContact C-N 3.33Å; L497-V499 PolarHBondContact O-N 3.15Å; L497-C500 PolarHBondContact O-N 2.93Å; L497-V505 HydrophobicContact CD2-CG1 4.4Å
498	C	28.4	Very low	29.4	Very low	101 Å²	101	98.3 Å²	98.3	68%	0.682	54%	0.535	S	S	*	.	H	α-helix	trans	-66	-29	177.7	-70.5	0	0	0	0	114	Y494 Q495 G496	Y494-C498 WeakPolarHBondContact O-CB 3.27Å; Y494-C498 PolarHBondContact O-N 3.32Å; Y494-C498 PolarHBondContact O-SG 3.06Å; Q495-C498 PolarHBondContact O-N 3.26Å; G496-C498 PolarHBondContact O-N 3.48Å
499	V	29.3	Very low	28.9	Very low	54 Å²	54	99.2 Å²	99.2	33%	0.327	55%	0.552	S	S	.	*	H	α-helix	trans	-83.1	-22.6	178.3	172.4	0	0	0	0	112.7	L313 L317 Q495 G496 L497 G501	L313-V499 HydrophobicContact CB-CG1 4.11Å; L313-V499 HydrophobicContact CD1-CG1 4.12Å; L313-V499 HydrophobicContact CD1-CG2 4.27Å; L313-V499 HydrophobicContact CD2-CG1 4.46Å; L313-V499 HydrophobicContact CG-CG1 4.45Å; L317-V499 HydrophobicContact CD1-CG1 4.32Å; Q495-V499 WeakPolarHBondContact O-CB 3.17Å; Q495-V499 VanDerWaalsContact O-CG2 3.29Å; Q495-V499 WeakPolarHBondContact O-CG2 3.26Å; Q495-V499 PolarHBondContact O-N 3.31Å; G496-V499 PolarHBondContact O-N 3.16Å; L497-V499 VanDerWaalsContact C-N 3.33Å; L497-V499 PolarHBondContact O-N 3.15Å; V499-G501 PolarHBondContact O-N 3.08Å; V499-G501 VanDerWaalsContact O-N 3.1Å
500	C	27.4	Very low	28.5	Very low	94 Å²	94	99.6 Å²	99.6	64%	0.635	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-2.3	-178.5	-78.2	0	0	0	0	115.5	G496 L497 Q502	G496-C500 PolarHBondContact O-N 3.01Å; G496-C500 PolarHBondContact O-SG 3.3Å; L497-C500 PolarHBondContact O-N 2.93Å; C500-Q502 PolarHBondContact O-N 3.13Å
501	G	26.1	Very low	28.3	Very low	64 Å²	64	101.6 Å²	101.6	66%	0.66	58%	0.578	S	S	*	*			trans	67.3	-0.9	171.3	0	0	0	0	0	116	V499 S503	V499-G501 PolarHBondContact O-N 3.08Å; V499-G501 VanDerWaalsContact O-N 3.1Å; G501-S503 VanDerWaalsContact C-N 3.35Å; G501-S503 PolarHBondContact O-N 3.19Å
502	Q	28.4	Very low	28	Very low	149 Å²	149	101 Å²	101	70%	0.696	58%	0.575	S	S	*	*			trans	-81.6	82.3	175.2	-70.1	-168.7	-14	0	0	110.2	C500 N504 V505	C500-Q502 PolarHBondContact O-N 3.13Å; Q502-N504 PolarHBondContact O-N 2.93Å; Q502-V505 HydrophobicContact CB-CG2 4.49Å
503	S	25.7	Very low	28.1	Very low	111 Å²	111	99.7 Å²	99.7	78%	0.776	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	67.9	168.1	56.2	0	0	0	0	111.2	G501	G501-S503 VanDerWaalsContact C-N 3.35Å; G501-S503 PolarHBondContact O-N 3.19Å
504	N	26.8	Very low	28	Very low	151 Å²	151	98.7 Å²	98.7	81%	0.807	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-174.5	30.5	164.3	-95.5	-35.9	0	0	0	112.3	Q502	Q502-N504 PolarHBondContact O-N 2.93Å
505	V	27.5	Very low	28	Very low	78 Å²	78	98.4 Å²	98.4	47%	0.473	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-97.1	116.7	165.9	-176.6	0	0	0	0	108.1	L497 Q502 A507	L497-V505 HydrophobicContact CD2-CG1 4.4Å; Q502-V505 HydrophobicContact CB-CG2 4.49Å; V505-A507 PolarHBondContact O-N 3.05Å
506	Y	26.7	Very low	27.9	Very low	213 Å²	213	101.9 Å²	101.9	84%	0.835	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-52.1	122.6	176.6	-65.8	-95.5	0	0	0	110.2	F508	Y506-F508 PolarHBondContact O-N 3.12Å
507	A	26	Very low	27.7	Very low	77 Å²	77	107.6 Å²	107.6	64%	0.636	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-57.4	135.8	162.1	0	0	0	0	0	107.8	V505 G509	V505-A507 PolarHBondContact O-N 3.05Å; A507-G509 PolarHBondContact O-N 2.82Å
508	F	26.9	Very low	27.7	Very low	122 Å²	122	109.2 Å²	109.2	54%	0.535	63%	0.633	S	S	.	*			trans	-71.7	67.4	-176.5	-82.4	-98.4	0	0	0	111.9	Y506	Y506-F508 PolarHBondContact O-N 3.12Å
509	G	25.6	Very low	27.7	Very low	66 Å²	66	109.6 Å²	109.6	68%	0.68	63%	0.631	S	S	*	*	S	Bend	trans	-64.4	126	154.5	0	0	0	0	0	108	A507	A507-G509 PolarHBondContact O-N 2.82Å
510	E	25.8	Very low	27.6	Very low	150 Å²	150	112.7 Å²	112.7	70%	0.701	65%	0.647	S	S	*	*	S	Bend	trans	61.5	70	-169.3	-44.3	-141.7	133.2	0	0	112.4	R378 D512	R378-E510 IonicContact CZ-OE1 2.63Å; R378-E510 IonicContact NE-OE1 3.09Å; R378-E510 IonicContact NH2-OE1 3.18Å; R378-E510 PolarHBondContact NH2-OE1 3.27Å; E510-D512 VanDerWaalsContact C-N 3.26Å; E510-D512 PolarHBondContact O-N 3.2Å
511	A	28.2	Very low	27.6	Very low	75 Å²	75	113.8 Å²	113.8	62%	0.62	65%	0.648	S	S	*	*			trans	-57.5	95.8	153.2	0	0	0	0	0	108.9
512	D	28	Very low	27.7	Very low	68 Å²	68	116.9 Å²	116.9	36%	0.364	65%	0.647	S	S	.	*			trans	-52	125.3	170.4	179.2	-6.6	0	0	0	108.5	E510 N514 I515	E510-D512 VanDerWaalsContact C-N 3.26Å; E510-D512 PolarHBondContact O-N 3.2Å; D512-N514 PolarHBondContact O-N 2.72Å; D512-N514 WeakPolarHBondContact OD1-CB 3.35Å; D512-N514 PolarHBondContact OD1-N 2.78Å; D512-N514 PolarHBondContact OD1-ND2 2.73Å; D512-I515 HydrophobicContact CB-CB 4.47Å; D512-I515 HydrophobicContact CB-CD1 3.88Å; D512-I515 HydrophobicContact CB-CG1 4.02Å; D512-I515 PolarHBondContact O-N 2.92Å
513	P	32.7	Very low	27.7	Very low	117 Å²	117	114.7 Å²	114.7	76%	0.76	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-10.3	177.5	24.9	-35.7	0	0	0	114
514	N	30.2	Very low	27.8	Very low	79 Å²	79	115 Å²	115	42%	0.422	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.3	-9.6	173.2	-57.3	-69.5	0	0	0	114.7	F44 D512	F44-N514 HydrophobicContact CZ-CB 4.19Å; F44-N514 WeakPolarHBondContact CZ-OD1 3.29Å; D512-N514 PolarHBondContact O-N 2.72Å; D512-N514 WeakPolarHBondContact OD1-CB 3.35Å; D512-N514 PolarHBondContact OD1-N 2.78Å; D512-N514 PolarHBondContact OD1-ND2 2.73Å
515	I	30	Very low	27.9	Very low	110 Å²	110	112.2 Å²	112.2	56%	0.564	62%	0.621	S	S	*	*	S	Bend	trans	-88.9	-11.8	-175.8	-75.5	177.5	0	0	0	113.2	D512 Q517	D512-I515 HydrophobicContact CB-CB 4.47Å; D512-I515 HydrophobicContact CB-CD1 3.88Å; D512-I515 HydrophobicContact CB-CG1 4.02Å; D512-I515 PolarHBondContact O-N 2.92Å; I515-Q517 PolarHBondContact O-N 3.24Å
516	I	29.6	Very low	27.9	Very low	149 Å²	149	115.1 Å²	115.1	76%	0.764	63%	0.634	S	S	*	*			trans	-89	91.9	163.8	-53.5	179.5	0	0	0	108.1
517	Q	25.4	Very low	28	Very low	155 Å²	155	106.2 Å²	106.2	72%	0.724	62%	0.616	S	S	*	*			trans	-107	0	167.4	-71.3	-167.7	-12.8	0	0	110.4	V51 I515	V51-Q517 WeakPolarHBondContact CG1-OXT 3.32Å; I515-Q517 PolarHBondContact O-N 3.24Å

Retrieved 517 of 517 residues in 191.3 ms (Link to these results)

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