A0A060XXX4_ONCMY Loading...

45 kDa calcium-binding protein

AlphaFold DB , UniProt , Accession A0A060XXX4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110532595, Length 360 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	49.6	Very low	45.9	Very low	251 Å²	251	152.8 Å²	152.8	100%	1.236	75%	0.754	S	S	*	*				0	52.3	0	-159.1	164.4	173.7	0	0	110.9
2	A	47	Very low	46.3	Very low	89 Å²	89	151.2 Å²	151.2	74%	0.736	74%	0.742	S	S	*	*			trans	-154.7	12.8	-177.3	0	0	0	0	0	114.9
3	M	44.3	Very low	46.7	Very low	177 Å²	177	148.5 Å²	148.5	87%	0.872	73%	0.732	S	S	*	*	S	Bend	trans	-118.9	-3.1	178.8	-84.5	179.8	78.8	0	0	114.7
4	Y	43	Very low	47	Very low	214 Å²	214	147.4 Å²	147.4	84%	0.839	73%	0.727	S	S	*	*	S	Bend	trans	-99.3	-8.6	178.8	-110.4	-93	0	0	0	114.5
5	C	44.7	Very low	47.5	Very low	106 Å²	106	141.4 Å²	141.4	72%	0.716	71%	0.71	S	S	*	*	S	Bend	trans	-89.5	-12.7	179.6	-88.3	0	0	0	0	114.9
6	R	42.9	Very low	48	Very low	213 Å²	213	138.1 Å²	138.1	80%	0.804	70%	0.699	S	S	*	*	H	α-helix	trans	-86.3	-26.7	-177.1	-83.4	-175.8	164.3	-170.6	-4.6	114
7	T	46.1	Very low	48.4	Very low	93 Å²	93	133.6 Å²	133.6	57%	0.571	68%	0.683	S	S	*	*	H	α-helix	trans	-83.7	-27.3	-177.7	43.9	0	0	0	0	113.5
8	A	45.4	Very low	48.5	Very low	49 Å²	49	133.4 Å²	133.4	41%	0.405	68%	0.681	S	S	.	*	H	α-helix	trans	-73.5	-38.5	175.2	0	0	0	0	0	112.3	R11 H12	A8-R11 PolarHBondContact O-N 2.8Å; A8-H12 PolarHBondContact O-CD2 3.35Å; A8-H12 PolarHBondContact O-N 3.29Å
9	W	45.2	Very low	48.7	Very low	197 Å²	197	129.1 Å²	129.1	75%	0.746	67%	0.667	S	S	*	*	H	α-helix	trans	-68.1	-39.5	179.3	-101.6	46.3	0	0	0	113.3	R11 H12 L13	W9-R11 VanDerWaalsContact C-N 3.34Å; W9-R11 PolarHBondContact O-N 3.34Å; W9-H12 PolarHBondContact O-N 3.37Å; W9-L13 PolarHBondContact O-N 3.13Å
10	C	48	Very low	48.7	Very low	88 Å²	88	127.5 Å²	127.5	60%	0.595	66%	0.659	S	S	*	*	H	α-helix	trans	-68	-30.7	176.6	-79.9	0	0	0	0	113.5	M14	C10-M14 WeakPolarHBondContact O-CG 2.98Å; C10-M14 PolarHBondContact O-N 2.85Å
11	R	48.9	Very low	48.6	Very low	204 Å²	204	127.6 Å²	127.6	77%	0.77	66%	0.655	S	S	*	*	H	α-helix	trans	-72.8	-36.8	177.1	-78.7	-177.1	161.4	-166	-5.6	112.4	A8 W9 A15	A8-R11 PolarHBondContact O-N 2.8Å; W9-R11 VanDerWaalsContact C-N 3.34Å; W9-R11 PolarHBondContact O-N 3.34Å; R11-A15 WeakPolarHBondContact O-CB 3.42Å; R11-A15 PolarHBondContact O-N 3.41Å; R11-A15 VanDerWaalsContact O-N 3.14Å
12	H	50.5	Low	48.4	Very low	133 Å²	133	118.8 Å²	118.8	62%	0.616	62%	0.617	S	S	*	*	H	α-helix	trans	-73.2	-36	175.1	-73.7	-60.5	0	0	0	112.7	A8 W9 A15 V16	A8-H12 PolarHBondContact O-CD2 3.35Å; A8-H12 PolarHBondContact O-N 3.29Å; W9-H12 PolarHBondContact O-N 3.37Å; H12-A15 PolarHBondContact O-N 3.11Å; H12-V16 WeakPolarHBondContact O-CB 3.48Å; H12-V16 WeakPolarHBondContact O-CG2 3.46Å; H12-V16 PolarHBondContact O-N 3.07Å
13	L	51.5	Low	48	Very low	117 Å²	117	120.5 Å²	120.5	61%	0.613	61%	0.613	S	S	*	*	H	α-helix	trans	-66.5	-40	175.2	-109.3	116.1	0	0	0	113.2	W9 V16 S17	W9-L13 PolarHBondContact O-N 3.13Å; L13-V16 PolarHBondContact O-N 2.81Å; L13-S17 WeakPolarHBondContact O-CB 3.25Å; L13-S17 PolarHBondContact O-N 2.9Å
14	M	51.5	Low	47.8	Very low	133 Å²	133	117.6 Å²	117.6	66%	0.655	60%	0.601	S	S	*	*	H	α-helix	trans	-69.5	-35.2	176	-73.6	-79.5	-91.2	0	0	112.3	C10 S17 M18	C10-M14 WeakPolarHBondContact O-CG 2.98Å; C10-M14 PolarHBondContact O-N 2.85Å; M14-S17 PolarHBondContact O-OG 2.81Å; M14-M18 WeakPolarHBondContact O-CB 3.46Å; M14-M18 PolarHBondContact O-N 2.91Å
15	A	53.5	Low	47.6	Very low	57 Å²	57	114.2 Å²	114.2	47%	0.471	59%	0.592	S	S	.	*	H	α-helix	trans	-69.4	-38.3	175.3	0	0	0	0	0	112	R11 H12 A19	R11-A15 WeakPolarHBondContact O-CB 3.42Å; R11-A15 PolarHBondContact O-N 3.41Å; R11-A15 VanDerWaalsContact O-N 3.14Å; H12-A15 PolarHBondContact O-N 3.11Å; A15-A19 VanDerWaalsContact O-CB 3.3Å; A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 3.36Å
16	V	56.1	Low	47	Very low	89 Å²	89	114.8 Å²	114.8	54%	0.539	59%	0.588	S	S	.	*	H	α-helix	trans	-71	-36	175.5	173.4	0	0	0	0	111.2	H12 L13 A19 L20	H12-V16 WeakPolarHBondContact O-CB 3.48Å; H12-V16 WeakPolarHBondContact O-CG2 3.46Å; H12-V16 PolarHBondContact O-N 3.07Å; L13-V16 PolarHBondContact O-N 2.81Å; V16-A19 PolarHBondContact O-N 3.45Å; V16-L20 HydrophobicContact CG1-CD1 4.08Å; V16-L20 WeakPolarHBondContact O-CB 3.29Å; V16-L20 PolarHBondContact O-N 2.81Å
17	S	54.3	Low	46.7	Very low	62 Å²	62	109.5 Å²	109.5	43%	0.434	58%	0.58	S	S	.	*	H	α-helix	trans	-71.3	-36.8	175.5	78.5	0	0	0	0	112.7	L13 M14 F21	L13-S17 WeakPolarHBondContact O-CB 3.25Å; L13-S17 PolarHBondContact O-N 2.9Å; M14-S17 PolarHBondContact O-OG 2.81Å; S17-F21 WeakPolarHBondContact O-CB 3.34Å; S17-F21 PolarHBondContact O-N 3.28Å
18	M	51.4	Low	46.1	Very low	130 Å²	130	112.8 Å²	112.8	64%	0.64	59%	0.591	S	S	*	*	H	α-helix	trans	-69.1	-36.3	172	-78	-165.6	78.8	0	0	112	M14 F21 C22	M14-M18 WeakPolarHBondContact O-CB 3.46Å; M14-M18 PolarHBondContact O-N 2.91Å; M18-F21 PolarHBondContact O-N 3.33Å; M18-C22 WeakPolarHBondContact O-CB 3.21Å; M18-C22 PolarHBondContact O-N 3.19Å; M18-C22 PolarHBondContact O-SG 2.71Å
19	A	51.7	Low	45.4	Very low	50 Å²	50	116.7 Å²	116.7	41%	0.413	61%	0.605	S	S	.	*	H	α-helix	trans	-66.5	-38.7	174.4	0	0	0	0	0	112.1	A15 V16 L23	A15-A19 VanDerWaalsContact O-CB 3.3Å; A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 3.36Å; V16-A19 PolarHBondContact O-N 3.45Å; A19-L23 WeakPolarHBondContact O-CB 3.18Å; A19-L23 VanDerWaalsContact O-CG 3.25Å; A19-L23 WeakPolarHBondContact O-CG 3.41Å; A19-L23 PolarHBondContact O-N 2.89Å
20	L	49.1	Very low	44.8	Very low	97 Å²	97	113.6 Å²	113.6	51%	0.508	61%	0.607	S	S	.	*	H	α-helix	trans	-67.8	-36.8	172.2	-96.2	149.4	0	0	0	112.5	V16 L23 L24	V16-L20 HydrophobicContact CG1-CD1 4.08Å; V16-L20 WeakPolarHBondContact O-CB 3.29Å; V16-L20 PolarHBondContact O-N 2.81Å; L20-L23 PolarHBondContact O-N 3.47Å; L20-L24 WeakPolarHBondContact O-CB 3.13Å; L20-L24 WeakPolarHBondContact O-CD1 3.49Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.48Å; L20-L24 PolarHBondContact O-N 3.11Å
21	F	46.5	Very low	44	Very low	130 Å²	130	116.9 Å²	116.9	57%	0.57	61%	0.614	S	S	*	*	H	α-helix	trans	-70.9	-36.5	175.8	-151.1	-96.2	0	0	0	111.9	S17 M18 L24 H25	S17-F21 WeakPolarHBondContact O-CB 3.34Å; S17-F21 PolarHBondContact O-N 3.28Å; M18-F21 PolarHBondContact O-N 3.33Å; F21-L24 PolarHBondContact O-N 2.97Å; F21-H25 AromaticContact CD1-CD2 3.82Å; F21-H25 AromaticContact CE1-CD2 3.4Å; F21-H25 WeakPolarHBondContact CE1-CD2 3.34Å; F21-H25 AromaticContact CE1-NE2 3.67Å; F21-H25 WeakPolarHBondContact O-CB 3.42Å; F21-H25 PolarHBondContact O-N 3.07Å
22	C	44.5	Very low	43.3	Very low	66 Å²	66	111.1 Å²	111.1	45%	0.446	61%	0.609	S	S	.	*	H	α-helix	trans	-70.1	-33.2	171.8	-71.1	0	0	0	0	112.2	M18 N26	M18-C22 WeakPolarHBondContact O-CB 3.21Å; M18-C22 PolarHBondContact O-N 3.19Å; M18-C22 PolarHBondContact O-SG 2.71Å; C22-N26 VanDerWaalsContact O-CB 3.28Å; C22-N26 WeakPolarHBondContact O-CB 3.27Å; C22-N26 PolarHBondContact O-N 3.35Å; C22-N26 PolarHBondContact O-ND2 3.05Å
23	L	39.8	Very low	42.7	Very low	126 Å²	126	110.7 Å²	110.7	66%	0.66	60%	0.602	S	S	*	*	H	α-helix	trans	-73.9	-29.8	173.9	-74.8	166.1	0	0	0	112.5	A19 L20	A19-L23 WeakPolarHBondContact O-CB 3.18Å; A19-L23 VanDerWaalsContact O-CG 3.25Å; A19-L23 WeakPolarHBondContact O-CG 3.41Å; A19-L23 PolarHBondContact O-N 2.89Å; L20-L23 PolarHBondContact O-N 3.47Å
24	L	39.1	Very low	42	Very low	116 Å²	116	109.8 Å²	109.8	61%	0.607	60%	0.604	S	S	*	*	H	α-helix	trans	-81.7	-19.6	174.8	-72.7	166	0	0	0	113.8	L20 F21 T27	L20-L24 WeakPolarHBondContact O-CB 3.13Å; L20-L24 WeakPolarHBondContact O-CD1 3.49Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.48Å; L20-L24 PolarHBondContact O-N 3.11Å; F21-L24 PolarHBondContact O-N 2.97Å; L24-T27 PolarHBondContact O-OG1 3.48Å
25	H	38.9	Very low	41.3	Very low	142 Å²	142	105.6 Å²	105.6	66%	0.657	59%	0.59	S	S	*	*	H	α-helix	trans	-98	-6.9	170.7	-95.2	-41.2	0	0	0	114.3	F21	F21-H25 AromaticContact CD1-CD2 3.82Å; F21-H25 AromaticContact CE1-CD2 3.4Å; F21-H25 WeakPolarHBondContact CE1-CD2 3.34Å; F21-H25 AromaticContact CE1-NE2 3.67Å; F21-H25 WeakPolarHBondContact O-CB 3.42Å; F21-H25 PolarHBondContact O-N 3.07Å
26	N	32.9	Very low	40.6	Very low	118 Å²	118	106.8 Å²	106.8	63%	0.631	59%	0.588	S	S	*	*			trans	-101.1	18.2	168.7	-76.8	-74.1	0	0	0	112.3	C22 M28	C22-N26 VanDerWaalsContact O-CB 3.28Å; C22-N26 WeakPolarHBondContact O-CB 3.27Å; C22-N26 PolarHBondContact O-N 3.35Å; C22-N26 PolarHBondContact O-ND2 3.05Å; N26-M28 PolarHBondContact O-N 3.27Å
27	T	35.5	Very low	39.5	Very low	103 Å²	103	110.2 Å²	110.2	63%	0.632	60%	0.6	S	S	*	*	S	Bend	trans	-67.1	89.7	148.7	54	0	0	0	0	105	L24 D29	L24-T27 PolarHBondContact O-OG1 3.48Å; T27-D29 PolarHBondContact O-N 3Å
28	M	33.7	Very low	38.5	Very low	161 Å²	161	109.6 Å²	109.6	79%	0.793	60%	0.596	S	S	*	*			trans	-46.2	126.9	175.6	-65.3	-163.3	69.1	0	0	107.7	N26 V30	N26-M28 PolarHBondContact O-N 3.27Å; M28-V30 PolarHBondContact O-N 3.11Å
29	D	31	Very low	37.5	Very low	131 Å²	131	106.9 Å²	106.9	70%	0.701	59%	0.594	S	S	*	*			trans	-45.2	99.8	157.8	-81.2	-59.3	0	0	0	107.1	T27 H31	T27-D29 PolarHBondContact O-N 3Å; D29-H31 VanDerWaalsContact CB-CE1 3.43Å; D29-H31 WeakPolarHBondContact CB-CE1 3.1Å; D29-H31 VanDerWaalsContact CB-ND1 3.33Å; D29-H31 WeakPolarHBondContact CB-ND1 3.16Å; D29-H31 PolarHBondContact O-N 3.15Å; D29-H31 PolarHBondContact O-ND1 3.03Å
30	V	33	Very low	36.4	Very low	132 Å²	132	112.7 Å²	112.7	80%	0.8	62%	0.618	S	S	*	*			trans	-64.4	91.8	152.9	178.3	0	0	0	0	102.5	M28 A32	M28-V30 PolarHBondContact O-N 3.11Å; V30-A32 PolarHBondContact O-N 3.15Å
31	H	30.6	Very low	35.5	Very low	158 Å²	158	115.9 Å²	115.9	73%	0.731	63%	0.627	S	S	*	*			trans	-63.6	84.7	161.4	-74.2	70.1	0	0	0	104.4	D29 R33	D29-H31 VanDerWaalsContact CB-CE1 3.43Å; D29-H31 WeakPolarHBondContact CB-CE1 3.1Å; D29-H31 VanDerWaalsContact CB-ND1 3.33Å; D29-H31 WeakPolarHBondContact CB-ND1 3.16Å; D29-H31 PolarHBondContact O-N 3.15Å; D29-H31 PolarHBondContact O-ND1 3.03Å; H31-R33 PolarHBondContact O-N 2.82Å
32	A	34	Very low	34.5	Very low	82 Å²	82	115.7 Å²	115.7	68%	0.678	63%	0.632	S	S	*	*			trans	-56	113.6	160.7	0	0	0	0	0	104.4	V30	V30-A32 PolarHBondContact O-N 3.15Å
33	R	38.3	Very low	33.9	Very low	125 Å²	125	120.8 Å²	120.8	47%	0.472	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-53.5	140.9	167.5	-79	-178	175.2	170.2	-0.8	106.8	H31 A35 D200 E238	H31-R33 PolarHBondContact O-N 2.82Å; R33-A35 PolarHBondContact O-N 3.04Å; R33-D200 IonicContact CZ-OD2 3.09Å; R33-D200 IonicContact NH1-OD2 2.93Å; R33-D200 PolarHBondContact NH1-OD2 3.23Å; R33-D200 IonicContact NH2-OD1 2.95Å; R33-D200 PolarHBondContact NH2-OD1 3.28Å; R33-D200 IonicContact NH2-OD2 3.75Å; R33-D200 PolarHBondContact NH2-OD2 3.07Å; R33-E238 IonicContact NH1-OE2 2.72Å
34	P	36.9	Very low	33.2	Very low	98 Å²	98	121.3 Å²	121.3	64%	0.636	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-50.7	129.6	163.1	-16.8	29.3	0	0	0	106.9	N36	P34-N36 PolarHBondContact O-N 3.46Å
35	A	37.5	Very low	32.4	Very low	44 Å²	44	121.7 Å²	121.7	36%	0.364	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-49.4	137.3	172.6	0	0	0	0	0	107.7	R33 M37	R33-A35 PolarHBondContact O-N 3.04Å; A35-M37 VanDerWaalsContact C-N 3.29Å; A35-M37 PolarHBondContact O-N 2.81Å
36	N	37.8	Very low	31.9	Very low	83 Å²	83	120.4 Å²	120.4	44%	0.444	66%	0.657	S	S	.	*			trans	-48.6	105.4	167.1	-103	-17.3	0	0	0	105.7	P34 S38	P34-N36 PolarHBondContact O-N 3.46Å; N36-S38 VanDerWaalsContact C-N 3.3Å; N36-S38 PolarHBondContact O-N 3.28Å
37	M	32.5	Very low	31.5	Very low	161 Å²	161	120.1 Å²	120.1	79%	0.793	66%	0.66	S	S	*	*			trans	-70.1	101.9	176.2	-74.8	-151	65.2	0	0	104.2	A35 A39	A35-M37 VanDerWaalsContact C-N 3.29Å; A35-M37 PolarHBondContact O-N 2.81Å; M37-A39 PolarHBondContact O-N 3.11Å
38	S	34.9	Very low	31.2	Very low	48 Å²	48	119.6 Å²	119.6	34%	0.336	66%	0.66	S	S	.	*			trans	-52.4	100.9	167.5	-26.6	0	0	0	0	105	N36 L40 D68	N36-S38 VanDerWaalsContact C-N 3.3Å; N36-S38 PolarHBondContact O-N 3.28Å; S38-L40 PolarHBondContact O-N 3.36Å; S38-D68 PolarHBondContact OG-OD2 3.23Å
39	A	29.5	Very low	31.2	Very low	74 Å²	74	118 Å²	118	61%	0.612	65%	0.649	S	S	*	*			trans	-64.8	100.1	171.7	0	0	0	0	0	103.5	M37 K41	M37-A39 PolarHBondContact O-N 3.11Å; A39-K41 PolarHBondContact O-N 2.98Å
40	L	29.3	Very low	31.5	Very low	172 Å²	172	120.7 Å²	120.7	90%	0.901	66%	0.657	S	S	*	*			trans	-53.8	89	169.7	-107.8	144.2	0	0	0	106.5	S38 D42	S38-L40 PolarHBondContact O-N 3.36Å; L40-D42 PolarHBondContact O-N 3.45Å
41	K	29.9	Very low	31.7	Very low	163 Å²	163	122 Å²	122	71%	0.709	66%	0.655	S	S	*	*			trans	-71.1	93.1	174.8	-166	176.4	-176	179.6	0	104.1	A39 K43	A39-K41 PolarHBondContact O-N 2.98Å; K41-K43 PolarHBondContact O-N 2.97Å
42	D	25.1	Very low	32.5	Very low	126 Å²	126	119.6 Å²	119.6	67%	0.674	65%	0.647	S	S	*	*			trans	-52.1	108.8	167.3	-143.3	-16.2	0	0	0	106	L40 N44	L40-D42 PolarHBondContact O-N 3.45Å; D42-N44 PolarHBondContact O-N 2.72Å
43	K	32.1	Very low	33.6	Very low	173 Å²	173	122.7 Å²	122.7	75%	0.752	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	19.4	-173.1	-80.7	-168.5	172.8	-165.9	0	113.8	K41	K41-K43 PolarHBondContact O-N 2.97Å
44	N	24.6	Very low	34.9	Very low	138 Å²	138	117.2 Å²	117.2	74%	0.738	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	13.2	-167.9	-75	-35.6	0	0	0	115.4	D42 P46	D42-N44 PolarHBondContact O-N 2.72Å; N44-P46 WeakPolarHBondContact O-CD 3.23Å
45	N	23.4	Very low	36.4	Very low	123 Å²	123	115.4 Å²	115.4	66%	0.658	61%	0.613	S	S	*	*			trans	-115.6	99.8	175.7	-155.5	17.8	0	0	0	113.1	T47	N45-T47 VanDerWaalsContact C-N 3.26Å; N45-T47 PolarHBondContact O-N 3.25Å; N45-T47 VanDerWaalsContact O-N 3.13Å; N45-T47 PolarHBondContact OD1-OG1 3.16Å; N45-T47 VanDerWaalsContact OD1-OG1 3.09Å
46	P	27.3	Very low	37.9	Very low	116 Å²	116	114 Å²	114	75%	0.753	60%	0.6	S	S	*	*			trans	-85.7	31.8	-173.4	35.1	-35.2	0	0	0	113.9	N44	N44-P46 WeakPolarHBondContact O-CD 3.23Å
47	T	24.4	Very low	39.3	Very low	112 Å²	112	112 Å²	112	69%	0.687	59%	0.591	S	S	*	*	S	Bend	trans	-120.5	22	-169.8	44.6	0	0	0	0	116.9	N45	N45-T47 VanDerWaalsContact C-N 3.26Å; N45-T47 PolarHBondContact O-N 3.25Å; N45-T47 VanDerWaalsContact O-N 3.13Å; N45-T47 PolarHBondContact OD1-OG1 3.16Å; N45-T47 VanDerWaalsContact OD1-OG1 3.09Å
48	S	29	Very low	40.6	Very low	91 Å²	91	107.8 Å²	107.8	64%	0.636	57%	0.572	S	S	*	*			trans	-132.7	15.8	175.3	54.9	0	0	0	0	115.8	E50	S48-E50 VanDerWaalsContact C-N 3.29Å; S48-E50 PolarHBondContact O-N 3.04Å
49	K	34.4	Very low	42.1	Very low	129 Å²	129	107.8 Å²	107.8	56%	0.561	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	12.3	-167.6	-108.4	-167.2	179.9	-156.8	0	117.5	E90	K49-E90 IonicContact NZ-OE1 3.3Å; K49-E90 PolarHBondContact NZ-OE1 3.4Å
50	E	36	Very low	44	Very low	186 Å²	186	104.3 Å²	104.3	87%	0.869	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.5	5.8	-172	-79.8	-168.4	161.6	0	0	118.7	S48	S48-E50 VanDerWaalsContact C-N 3.29Å; S48-E50 PolarHBondContact O-N 3.04Å
51	E	38.3	Very low	45.8	Very low	161 Å²	161	99.2 Å²	99.2	75%	0.752	51%	0.511	S	S	*	.	S	Bend	trans	-110.4	91.2	178.1	-70.2	-171.7	176.6	0	0	111.6	E53	E51-E53 PolarHBondContact O-N 3.29Å
52	N	46.8	Very low	47.7	Very low	107 Å²	107	91.9 Å²	91.9	57%	0.572	48%	0.482	S	S	*	.			trans	25.2	88.6	164.3	-61.9	-37.5	0	0	0	113.5	I54	N52-I54 HydrophobicContact CB-CD1 4.38Å; N52-I54 HydrophobicContact CB-CG1 4.28Å; N52-I54 WeakPolarHBondContact O-CG1 3.43Å; N52-I54 PolarHBondContact O-N 3.43Å
53	E	56.8	Low	50.3	Low	146 Å²	146	86 Å²	86	68%	0.682	45%	0.45	S	S	*	.			trans	-64.7	86	173.6	-71.4	-171.8	161.9	0	0	109.2	E51 L55	E51-E53 PolarHBondContact O-N 3.29Å; E53-L55 PolarHBondContact O-N 3.02Å
54	I	66.3	Low	52.5	Low	11 Å²	11	78.3 Å²	78.3	6%	0.056	42%	0.417	C	S	.	.			trans	-79.7	-5.6	172.6	-63.2	162.9	0	0	0	109.6	N52 V147 Y160 K163 L223	N52-I54 HydrophobicContact CB-CD1 4.38Å; N52-I54 HydrophobicContact CB-CG1 4.28Å; N52-I54 WeakPolarHBondContact O-CG1 3.43Å; N52-I54 PolarHBondContact O-N 3.43Å; I54-V147 HydrophobicContact CD1-CG1 4.21Å; I54-V147 HydrophobicContact CG1-CG1 4.37Å; I54-V147 HydrophobicContact CG2-CG1 3.9Å; I54-Y160 HydrophobicContact CG2-CD2 3.77Å; I54-Y160 HydrophobicContact CG2-CE2 3.23Å; I54-Y160 VanDerWaalsContact O-CE2 3.25Å; I54-Y160 WeakPolarHBondContact O-CE2 3.28Å; I54-Y160 PolarHBondContact O-OH 2.92Å; I54-K163 HydrophobicContact CD1-CB 4.16Å; I54-L223 WeakPolarHBondContact O-CD2 3.42Å
55	L	69.4	Low	55.2	Low	60 Å²	60	71.9 Å²	71.9	31%	0.314	38%	0.383	S	S	.	.	S	Bend	trans	-80.2	128.8	171	-83.2	173.5	0	0	0	109.7	E53 F164 V194 L198	E53-L55 PolarHBondContact O-N 3.02Å; L55-F164 HydrophobicContact CD1-CE2 3.96Å; L55-F164 HydrophobicContact CD2-CD2 3.77Å; L55-F164 HydrophobicContact CD2-CE2 3.28Å; L55-F164 HydrophobicContact CD2-CZ 4.2Å; L55-F164 HydrophobicContact CG-CD2 4.03Å; L55-F164 HydrophobicContact CG-CE2 3.66Å; L55-V194 HydrophobicContact CD2-CG1 4.32Å; L55-L198 HydrophobicContact CD2-CD1 3.65Å; L55-L198 HydrophobicContact CD2-CD2 4.31Å
56	P	68.4	Low	57.9	Low	14 Å²	14	68 Å²	68	9%	0.091	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-54.1	137.1	161.5	-18.4	28.7	0	0	0	109.5	L198 F222 L223	P56-L198 VanDerWaalsContact CD-CD2 3.45Å; P56-L198 HydrophobicContact CG-CD2 3.67Å; P56-F222 HydrophobicContact CG-CD1 4.21Å; P56-F222 HydrophobicContact CG-CE1 3.67Å; P56-F222 HydrophobicContact CG-CE2 4.06Å; P56-F222 HydrophobicContact CG-CZ 3.59Å; P56-L223 HydrophobicContact CG-CD2 4.12Å
57	P	67.3	Low	60	Low	42 Å²	42	63.3 Å²	63.3	27%	0.273	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-68.5	145	177.1	33.4	-33.8	0	0	0	109.2	H59 L60 L223	P57-H59 VanDerWaalsContact C-N 3.29Å; P57-H59 VanDerWaalsContact CB-O 3.29Å; P57-H59 WeakPolarHBondContact CB-O 3.39Å; P57-L60 HydrophobicContact CG-CD2 4.28Å; P57-L223 WeakPolarHBondContact CD-O 3.1Å
58	D	58.7	Low	62.1	Low	72 Å²	72	58.6 Å²	58.6	39%	0.385	30%	0.299	S	S	.	.	S	Bend	trans	-69.2	-37.9	173.7	-165	22.5	0	0	0	110.5
59	H	67.8	Low	64.2	Low	47 Å²	47	54.3 Å²	54.3	22%	0.218	27%	0.27	C	S	.	.	S	Bend	trans	-95.5	132.1	176.4	169.3	91.9	0	0	0	111	P57 N61 N72 E78	P57-H59 VanDerWaalsContact C-N 3.29Å; P57-H59 VanDerWaalsContact CB-O 3.29Å; P57-H59 WeakPolarHBondContact CB-O 3.39Å; H59-N61 PolarHBondContact CD2-OD1 2.94Å; H59-N61 VanDerWaalsContact CD2-OD1 3.27Å; H59-N61 PolarHBondContact NE2-OD1 2.87Å; H59-N72 PolarHBondContact CE1-ND2 3.21Å; H59-N72 PolarHBondContact CE1-OD1 3.09Å; H59-E78 IonicContact CE1-OE1 3.7Å; H59-E78 PolarHBondContact CE1-OE1 2.93Å; H59-E78 IonicContact CE1-OE2 2.86Å; H59-E78 PolarHBondContact CE1-OE2 2.7Å; H59-E78 IonicContact NE2-OE1 3.48Å; H59-E78 PolarHBondContact NE2-OE1 3.42Å; H59-E78 IonicContact NE2-OE2 2.88Å; H59-E78 PolarHBondContact NE2-OE2 3.04Å
60	L	68.7	Low	66.2	Low	2 Å²	2	50.2 Å²	50.2	1%	0.01	25%	0.252	C	S	.	.			trans	-102.5	113.8	177.3	-53.8	178.3	0	0	0	109.4	P57 G62 V63 M67 P225 M235	P57-L60 HydrophobicContact CG-CD2 4.28Å; L60-G62 PolarHBondContact O-N 2.97Å; L60-V63 HydrophobicContact CB-CB 3.91Å; L60-V63 HydrophobicContact CB-CG2 3.65Å; L60-V63 HydrophobicContact CD1-CG2 4.37Å; L60-V63 PolarHBondContact O-N 2.81Å; L60-M67 HydrophobicContact CD1-SD 4.39Å; L60-P225 HydrophobicContact CD1-CB 4.47Å; L60-P225 HydrophobicContact CD1-CG 3.55Å; L60-P225 HydrophobicContact CD2-CG 3.31Å; L60-P225 HydrophobicContact CG-CG 4.06Å; L60-M235 HydrophobicContact CD1-CE 3.42Å; L60-M235 VanDerWaalsContact CD1-CE 3.42Å; L60-M235 HydrophobicContact CD1-SD 3.28Å; L60-M235 WeakPolarHBondContact CD1-SD 3.39Å
61	N	67.6	Low	68.2	Low	64 Å²	64	42.8 Å²	42.8	34%	0.342	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	129.4	-179.5	-72.2	-32.9	0	0	0	110.3	H59 V63 E78 H132	H59-N61 PolarHBondContact CD2-OD1 2.94Å; H59-N61 VanDerWaalsContact CD2-OD1 3.27Å; H59-N61 PolarHBondContact NE2-OD1 2.87Å; N61-V63 VanDerWaalsContact C-N 3.31Å; N61-E78 WeakPolarHBondContact CA-OE2 3.37Å; N61-H132 WeakPolarHBondContact CB-NE2 3.46Å; N61-H132 PolarHBondContact ND2-CE1 3.06Å; N61-H132 VanDerWaalsContact ND2-CE1 3.26Å
62	G	69	Low	70.2	Confident	9 Å²	9	35.4 Å²	35.4	9%	0.093	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	17.1	-179.8	0	0	0	0	0	114.6	L60 F75 E78 P307	L60-G62 PolarHBondContact O-N 2.97Å; G62-F75 VanDerWaalsContact C-CE2 3.47Å; G62-F75 WeakPolarHBondContact O-CE2 3.23Å; G62-E78 PolarHBondContact N-OE2 3.24Å; G62-P307 VanDerWaalsContact O-CB 3.32Å; G62-P307 WeakPolarHBondContact O-CB 3.21Å
63	V	80.8	Confident	71.7	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.012	19%	0.193	C	C	.	.			trans	-114.8	140.2	169.4	-173.7	0	0	0	0	110.3	L60 N61 N72 F75 E226 M305	L60-V63 HydrophobicContact CB-CB 3.91Å; L60-V63 HydrophobicContact CB-CG2 3.65Å; L60-V63 HydrophobicContact CD1-CG2 4.37Å; L60-V63 PolarHBondContact O-N 2.81Å; N61-V63 VanDerWaalsContact C-N 3.31Å; V63-N72 WeakPolarHBondContact O-CB 3.46Å; V63-N72 PolarHBondContact O-ND2 3.44Å; V63-F75 WeakPolarHBondContact O-CD2 3.4Å; V63-E226 HydrophobicContact CG2-CB 4.07Å; V63-M305 HydrophobicContact CG1-CE 3.28Å; V63-M305 HydrophobicContact CG1-SD 3.58Å; V63-M305 VanDerWaalsContact CG1-SD 3.58Å
64	K	78.3	Confident	72.6	Confident	13 Å²	13	32.2 Å²	32.2	6%	0.057	17%	0.167	C	C	.	.	S	Bend	trans	-79.5	-24.8	-173.1	-72.8	-167.8	167.1	-155	0	115.1	N72 F75 E283 Y304 E316	K64-N72 WeakPolarHBondContact O-CB 3.43Å; K64-N72 PolarHBondContact O-N 2.84Å; K64-F75 HydrophobicContact CB-CD2 4.47Å; K64-F75 HydrophobicContact CB-CE2 4.48Å; K64-F75 HydrophobicContact CD-CE1 4.12Å; K64-F75 HydrophobicContact CD-CZ 4.19Å; K64-F75 HydrophobicContact CG-CD1 3.9Å; K64-F75 HydrophobicContact CG-CD2 3.77Å; K64-F75 HydrophobicContact CG-CE1 3.69Å; K64-F75 HydrophobicContact CG-CE2 3.52Å; K64-F75 HydrophobicContact CG-CG 3.94Å; K64-F75 HydrophobicContact CG-CZ 3.49Å; K64-F75 VanDerWaalsContact CG-CZ 3.49Å; K64-E283 IonicContact NZ-OE2 3.14Å; K64-Y304 HydrophobicContact CB-CE1 3.73Å; K64-Y304 HydrophobicContact CB-CE2 4.36Å; K64-Y304 WeakPolarHBondContact CB-OH 3.41Å; K64-Y304 HydrophobicContact CD-CD2 4.37Å; K64-Y304 HydrophobicContact CD-CE1 4.37Å; K64-Y304 HydrophobicContact CD-CE2 3.47Å; K64-Y304 VanDerWaalsContact CD-CE2 3.47Å; K64-Y304 VanDerWaalsContact CD-CZ 3.48Å; K64-Y304 WeakPolarHBondContact CD-OH 3.12Å; K64-Y304 HydrophobicContact CG-CE2 4.49Å; K64-E316 WeakPolarHBondContact CE-OE2 3.32Å; K64-E316 IonicContact NZ-OE2 2.67Å; K64-E316 PolarHBondContact NZ-OE2 2.75Å
65	L	81	Confident	73.4	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-114.5	141.8	173.5	-60.5	164.5	0	0	0	110.4	H70 I71 I239 F256 L301 Y304 M305	L65-H70 CarbonylContact C-O 3.47Å; L65-H70 VanDerWaalsContact CA-O 3.27Å; L65-H70 WeakPolarHBondContact CA-O 3.4Å; L65-H70 WeakPolarHBondContact CD2-O 3.39Å; L65-I71 HydrophobicContact CD2-CG1 4.04Å; L65-I239 HydrophobicContact CB-CD1 4.3Å; L65-I239 HydrophobicContact CD1-CD1 4.46Å; L65-F256 HydrophobicContact CD1-CE2 4.46Å; L65-F256 HydrophobicContact CD2-CZ 4.49Å; L65-L301 HydrophobicContact CD1-CD1 3.84Å; L65-Y304 HydrophobicContact CD1-CD1 4.16Å; L65-Y304 HydrophobicContact CD1-CE1 3.84Å; L65-Y304 HydrophobicContact CG-CE1 3.87Å; L65-M305 HydrophobicContact CB-CE 3.94Å; L65-M305 HydrophobicContact CB-SD 3.63Å; L65-M305 HydrophobicContact CD1-SD 3.93Å; L65-M305 HydrophobicContact CG-SD 4.02Å
66	E	80.1	Confident	74.1	Confident	42 Å²	42	31.8 Å²	31.8	20%	0.196	16%	0.162	C	C	.	.			trans	-75.8	166.7	168.9	-65	177.7	-158.9	0	0	110.1	D68 G69 H70 N72	E66-D68 WeakPolarHBondContact CB-OD1 3.31Å; E66-D68 PolarHBondContact O-N 2.89Å; E66-G69 PolarHBondContact O-N 3.17Å; E66-H70 PolarHBondContact N-O 3.31Å; E66-N72 HydrophobicContact CG-CB 4.44Å
67	M	71.1	Confident	74.9	Confident	17 Å²	17	32.9 Å²	32.9	8%	0.084	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.2	-178.8	-72.9	-67.7	-47.9	0	0	113.7	L60 G69 M235	L60-M67 HydrophobicContact CD1-SD 4.39Å; M67-G69 VanDerWaalsContact C-N 3.28Å; M67-M235 HydrophobicContact CE-CB 4.44Å; M67-M235 HydrophobicContact CE-CG 3.82Å; M67-M235 HydrophobicContact CE-SD 4.22Å; M67-M235 HydrophobicContact SD-CB 4.29Å; M67-M235 HydrophobicContact SD-CG 3.57Å; M67-M235 VanDerWaalsContact SD-CG 3.57Å; M67-M235 HydrophobicContact SD-SD 3.16Å
68	D	69.2	Low	75.7	Confident	13 Å²	13	31.9 Å²	31.9	7%	0.07	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	2.1	178.4	66.3	5.4	0	0	0	113	S38 E66 H70 P260	S38-D68 PolarHBondContact OG-OD2 3.23Å; E66-D68 WeakPolarHBondContact CB-OD1 3.31Å; E66-D68 PolarHBondContact O-N 2.89Å; D68-H70 WeakPolarHBondContact OD1-CB 3.38Å; D68-H70 IonicContact OD1-CG 3.54Å; D68-H70 PolarHBondContact OD1-N 3.18Å; D68-H70 IonicContact OD1-ND1 2.66Å; D68-H70 PolarHBondContact OD1-ND1 2.83Å; D68-H70 IonicContact OD2-CE1 2.68Å; D68-H70 PolarHBondContact OD2-CE1 2.83Å; D68-H70 IonicContact OD2-CG 2.93Å; D68-H70 IonicContact OD2-ND1 3.7Å; D68-H70 PolarHBondContact OD2-ND1 2.65Å; D68-P260 VanDerWaalsContact O-CG 3.27Å; D68-P260 WeakPolarHBondContact O-CG 3.41Å
69	G	73.1	Confident	76.9	Confident	2 Å²	2	28.7 Å²	28.7	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	85	3.3	179.3	0	0	0	0	0	114.7	E66 M67 R280	E66-G69 PolarHBondContact O-N 3.17Å; M67-G69 VanDerWaalsContact C-N 3.28Å; G69-R280 PolarHBondContact O-NH1 2.77Å; G69-R280 PolarHBondContact O-NH2 3.05Å
70	H	75.9	Confident	77.8	Confident	42 Å²	42	26.5 Å²	26.5	19%	0.194	13%	0.131	C	C	.	.			trans	-70.3	154.1	171.6	-69.3	115.8	0	0	0	112.1	L65 E66 D68	L65-H70 CarbonylContact C-O 3.47Å; L65-H70 VanDerWaalsContact CA-O 3.27Å; L65-H70 WeakPolarHBondContact CA-O 3.4Å; L65-H70 WeakPolarHBondContact CD2-O 3.39Å; E66-H70 PolarHBondContact N-O 3.31Å; D68-H70 WeakPolarHBondContact OD1-CB 3.38Å; D68-H70 IonicContact OD1-CG 3.54Å; D68-H70 PolarHBondContact OD1-N 3.18Å; D68-H70 IonicContact OD1-ND1 2.66Å; D68-H70 PolarHBondContact OD1-ND1 2.83Å; D68-H70 IonicContact OD2-CE1 2.68Å; D68-H70 PolarHBondContact OD2-CE1 2.83Å; D68-H70 IonicContact OD2-CG 2.93Å; D68-H70 IonicContact OD2-ND1 3.7Å; D68-H70 PolarHBondContact OD2-ND1 2.65Å
71	I	77.6	Confident	78.5	Confident	30 Å²	30	26.5 Å²	26.5	15%	0.154	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-73.7	128.6	172.1	-67.7	179	0	0	0	108.7	L65 K73 R280 E283	L65-I71 HydrophobicContact CD2-CG1 4.04Å; I71-K73 PolarHBondContact O-N 3.32Å; I71-K73 VanDerWaalsContact O-N 3.15Å; I71-R280 HydrophobicContact CD1-CB 4.28Å; I71-R280 HydrophobicContact CD1-CG 3.44Å; I71-R280 VanDerWaalsContact CD1-CG 3.44Å; I71-R280 HydrophobicContact CG1-CG 4.02Å; I71-E283 HydrophobicContact CD1-CG 4.19Å
72	N	80.2	Confident	79.2	Confident	7 Å²	7	24.4 Å²	24.4	4%	0.037	13%	0.125	C	C	.	.			trans	-65.6	108.9	171.4	172.5	1.7	0	0	0	110.3	H59 V63 K64 E66 G74 F75 E78	H59-N72 PolarHBondContact CE1-ND2 3.21Å; H59-N72 PolarHBondContact CE1-OD1 3.09Å; V63-N72 WeakPolarHBondContact O-CB 3.46Å; V63-N72 PolarHBondContact O-ND2 3.44Å; K64-N72 WeakPolarHBondContact O-CB 3.43Å; K64-N72 PolarHBondContact O-N 2.84Å; E66-N72 HydrophobicContact CG-CB 4.44Å; N72-G74 VanDerWaalsContact C-N 3.31Å; N72-G74 PolarHBondContact O-N 2.78Å; N72-G74 WeakPolarHBondContact OD1-CA 3.47Å; N72-G74 PolarHBondContact OD1-N 3.47Å; N72-F75 HydrophobicContact CB-CB 4.11Å; N72-F75 WeakPolarHBondContact ND2-CA 3.45Å; N72-F75 WeakPolarHBondContact ND2-CB 3.05Å; N72-F75 WeakPolarHBondContact O-CB 3.23Å; N72-F75 PolarHBondContact O-N 3.25Å; N72-F75 PolarHBondContact OD1-N 2.8Å; N72-E78 PolarHBondContact ND2-OE2 2.77Å; N72-E78 VanDerWaalsContact ND2-OE2 3.16Å
73	K	77.8	Confident	79.5	Confident	174 Å²	174	28 Å²	28	76%	0.757	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.3	178.7	-63.7	-177.3	-178.4	177.8	0	113.7	I71	I71-K73 PolarHBondContact O-N 3.32Å; I71-K73 VanDerWaalsContact O-N 3.15Å
74	G	77.4	Confident	79.2	Confident	12 Å²	12	29.3 Å²	29.3	12%	0.124	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-9.8	179	0	0	0	0	0	113.9	N72 H76 Q77 E78	N72-G74 VanDerWaalsContact C-N 3.31Å; N72-G74 PolarHBondContact O-N 2.78Å; N72-G74 WeakPolarHBondContact OD1-CA 3.47Å; N72-G74 PolarHBondContact OD1-N 3.47Å; G74-H76 VanDerWaalsContact C-N 3.35Å; G74-H76 PolarHBondContact O-N 3.43Å; G74-H76 VanDerWaalsContact O-N 3.15Å; G74-Q77 WeakPolarHBondContact O-CA 3.45Å; G74-Q77 WeakPolarHBondContact O-CB 3.29Å; G74-Q77 PolarHBondContact O-N 2.92Å; G74-E78 VanDerWaalsContact C-OE1 3.26Å; G74-E78 WeakPolarHBondContact CA-OE1 3.17Å; G74-E78 PolarHBondContact O-N 3.32Å
75	F	82.8	Confident	78.9	Confident	17 Å²	17	30.4 Å²	30.4	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-47.4	-52.4	-169.8	179	-101.3	0	0	0	113.5	G62 V63 K64 N72 Q77 E78 V79 E316	G62-F75 VanDerWaalsContact C-CE2 3.47Å; G62-F75 WeakPolarHBondContact O-CE2 3.23Å; V63-F75 WeakPolarHBondContact O-CD2 3.4Å; K64-F75 HydrophobicContact CB-CD2 4.47Å; K64-F75 HydrophobicContact CB-CE2 4.48Å; K64-F75 HydrophobicContact CD-CE1 4.12Å; K64-F75 HydrophobicContact CD-CZ 4.19Å; K64-F75 HydrophobicContact CG-CD1 3.9Å; K64-F75 HydrophobicContact CG-CD2 3.77Å; K64-F75 HydrophobicContact CG-CE1 3.69Å; K64-F75 HydrophobicContact CG-CE2 3.52Å; K64-F75 HydrophobicContact CG-CG 3.94Å; K64-F75 HydrophobicContact CG-CZ 3.49Å; K64-F75 VanDerWaalsContact CG-CZ 3.49Å; N72-F75 HydrophobicContact CB-CB 4.11Å; N72-F75 WeakPolarHBondContact ND2-CA 3.45Å; N72-F75 WeakPolarHBondContact ND2-CB 3.05Å; N72-F75 WeakPolarHBondContact O-CB 3.23Å; N72-F75 PolarHBondContact O-N 3.25Å; N72-F75 PolarHBondContact OD1-N 2.8Å; F75-Q77 VanDerWaalsContact C-N 3.26Å; F75-Q77 PolarHBondContact O-N 2.86Å; F75-E78 PolarHBondContact O-N 2.88Å; F75-V79 HydrophobicContact CD2-CG1 4.16Å; F75-V79 HydrophobicContact CE1-CG1 4.12Å; F75-V79 HydrophobicContact CE1-CG2 4.33Å; F75-V79 HydrophobicContact CE2-CG1 3.71Å; F75-V79 HydrophobicContact CZ-CG1 3.68Å; F75-V79 WeakPolarHBondContact O-CG2 3.42Å; F75-V79 PolarHBondContact O-N 2.87Å; F75-E316 HydrophobicContact CE1-CG 3.72Å; F75-E316 VanDerWaalsContact CE1-OE2 3.28Å; F75-E316 WeakPolarHBondContact CE1-OE2 3.44Å; F75-E316 HydrophobicContact CZ-CG 4.47Å
76	H	83.1	Confident	78.4	Confident	44 Å²	44	36.1 Å²	36.1	20%	0.204	18%	0.176	C	C	.	.	H	α-helix	trans	-61.4	-34	-178.7	-57.5	-55.7	0	0	0	113	G74 F80 E316 Y343	G74-H76 VanDerWaalsContact C-N 3.35Å; G74-H76 PolarHBondContact O-N 3.43Å; G74-H76 VanDerWaalsContact O-N 3.15Å; H76-F80 WeakPolarHBondContact O-CB 3.44Å; H76-F80 PolarHBondContact O-N 2.91Å; H76-E316 IonicContact CE1-OE1 3.43Å; H76-E316 PolarHBondContact CE1-OE1 3.02Å; H76-E316 IonicContact CE1-OE2 2.99Å; H76-E316 IonicContact CG-OE1 3.79Å; H76-E316 IonicContact ND1-OE1 2.74Å; H76-E316 PolarHBondContact ND1-OE1 3.49Å; H76-E316 IonicContact ND1-OE2 2.73Å; H76-Y343 AromaticContact CD2-CE2 3.9Å; H76-Y343 AromaticContact CD2-CZ 3.74Å; H76-Y343 PolarHBondContact CD2-OH 2.76Å; H76-Y343 VanDerWaalsContact CD2-OH 3.24Å; H76-Y343 PolarHBondContact CE1-OH 3.27Å; H76-Y343 AromaticContact CG-CZ 3.95Å; H76-Y343 PolarHBondContact NE2-OH 3.5Å
77	Q	85	Confident	77.9	Confident	38 Å²	38	38.9 Å²	38.9	18%	0.178	19%	0.189	C	C	.	.	H	α-helix	trans	-75.2	-40.7	179.6	-62.1	135	21.1	0	0	110.4	G74 F75 F80 L81 M85	G74-Q77 WeakPolarHBondContact O-CA 3.45Å; G74-Q77 WeakPolarHBondContact O-CB 3.29Å; G74-Q77 PolarHBondContact O-N 2.92Å; F75-Q77 VanDerWaalsContact C-N 3.26Å; F75-Q77 PolarHBondContact O-N 2.86Å; Q77-F80 PolarHBondContact O-N 3Å; Q77-L81 VanDerWaalsContact O-CB 3.28Å; Q77-L81 WeakPolarHBondContact O-CB 3.48Å; Q77-L81 PolarHBondContact O-N 2.95Å; Q77-M85 HydrophobicContact CB-CE 4.33Å
78	E	84.6	Confident	77.9	Confident	20 Å²	20	38.2 Å²	38.2	9%	0.093	19%	0.186	C	C	.	.	H	α-helix	trans	-64	-48.9	178	-70.6	153.5	-145.3	0	0	111.9	H59 N61 G62 N72 G74 F75 F80 G82 M85	H59-E78 IonicContact CE1-OE1 3.7Å; H59-E78 PolarHBondContact CE1-OE1 2.93Å; H59-E78 IonicContact CE1-OE2 2.86Å; H59-E78 PolarHBondContact CE1-OE2 2.7Å; H59-E78 IonicContact NE2-OE1 3.48Å; H59-E78 PolarHBondContact NE2-OE1 3.42Å; H59-E78 IonicContact NE2-OE2 2.88Å; H59-E78 PolarHBondContact NE2-OE2 3.04Å; N61-E78 WeakPolarHBondContact CA-OE2 3.37Å; G62-E78 PolarHBondContact N-OE2 3.24Å; N72-E78 PolarHBondContact ND2-OE2 2.77Å; N72-E78 VanDerWaalsContact ND2-OE2 3.16Å; G74-E78 VanDerWaalsContact C-OE1 3.26Å; G74-E78 WeakPolarHBondContact CA-OE1 3.17Å; G74-E78 PolarHBondContact O-N 3.32Å; F75-E78 PolarHBondContact O-N 2.88Å; E78-F80 PolarHBondContact O-N 2.87Å; E78-G82 WeakPolarHBondContact O-CA 2.85Å; E78-G82 PolarHBondContact O-N 3.41Å; E78-M85 HydrophobicContact CG-CE 4.5Å; E78-M85 HydrophobicContact CG-SD 3.8Å
79	V	84.8	Confident	77.7	Confident	5 Å²	5	43.1 Å²	43.1	3%	0.03	21%	0.208	C	C	.	.	H	α-helix	trans	-70.3	-22.9	-179.3	-59.2	0	0	0	0	112.6	F75 I125 E316	F75-V79 HydrophobicContact CD2-CG1 4.16Å; F75-V79 HydrophobicContact CE1-CG1 4.12Å; F75-V79 HydrophobicContact CE1-CG2 4.33Å; F75-V79 HydrophobicContact CE2-CG1 3.71Å; F75-V79 HydrophobicContact CZ-CG1 3.68Å; F75-V79 WeakPolarHBondContact O-CG2 3.42Å; F75-V79 PolarHBondContact O-N 2.87Å; V79-I125 HydrophobicContact CB-CG1 4.32Å; V79-I125 HydrophobicContact CB-CG2 4.07Å; V79-I125 HydrophobicContact CG1-CG2 4.49Å; V79-I125 HydrophobicContact CG2-CG1 4.23Å; V79-E316 HydrophobicContact CG2-CG 4.45Å
80	F	85.2	Confident	77.3	Confident	2 Å²	2	49 Å²	49	1%	0.009	24%	0.235	C	C	.	.	H	α-helix	trans	-89.5	-45.9	179.3	-175.4	-104.8	0	0	0	113.3	H76 Q77 E78 L101 I104 M121 W124 M320 F344	H76-F80 WeakPolarHBondContact O-CB 3.44Å; H76-F80 PolarHBondContact O-N 2.91Å; Q77-F80 PolarHBondContact O-N 3Å; E78-F80 PolarHBondContact O-N 2.87Å; F80-L101 HydrophobicContact CE1-CD1 3.62Å; F80-L101 HydrophobicContact CZ-CD1 4.01Å; F80-I104 HydrophobicContact CE1-CG2 4.02Å; F80-I104 HydrophobicContact CE2-CG2 4.19Å; F80-I104 HydrophobicContact CZ-CG2 3.66Å; F80-M121 HydrophobicContact CD2-CE 4.24Å; F80-M121 HydrophobicContact CD2-SD 3.9Å; F80-M121 HydrophobicContact CE2-CE 3.9Å; F80-M121 HydrophobicContact CE2-SD 4.01Å; F80-W124 PolarHBondContact O-NE1 3.4Å; F80-M320 HydrophobicContact CB-CE 3.7Å; F80-M320 HydrophobicContact CD2-CE 3.81Å; F80-M320 HydrophobicContact CG-CE 3.92Å; F80-F344 HydrophobicContact CD1-CB 3.8Å; F80-F344 AromaticContact CD1-CD1 3.96Å; F80-F344 HydrophobicContact CD1-CD1 3.96Å; F80-F344 HydrophobicContact CD1-CG 4.33Å; F80-F344 AromaticContact CD2-CD1 3.93Å; F80-F344 HydrophobicContact CD2-CD1 3.93Å; F80-F344 HydrophobicContact CD2-CE1 4.46Å; F80-F344 HydrophobicContact CE1-CB 3.77Å; F80-F344 AromaticContact CE1-CD1 3.98Å; F80-F344 HydrophobicContact CE1-CD1 3.98Å; F80-F344 HydrophobicContact CE1-CG 4.18Å; F80-F344 AromaticContact CE2-CD1 3.94Å; F80-F344 HydrophobicContact CE2-CD1 3.94Å; F80-F344 HydrophobicContact CE2-CE1 4.36Å; F80-F344 AromaticContact CG-CD1 3.94Å; F80-F344 HydrophobicContact CG-CD1 3.94Å; F80-F344 HydrophobicContact CZ-CB 4.47Å; F80-F344 AromaticContact CZ-CD1 3.96Å; F80-F344 HydrophobicContact CZ-CD1 3.96Å; F80-F344 HydrophobicContact CZ-CG 4.42Å
81	L	83.7	Confident	76.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-90.7	-32.8	-177.7	-61.5	-175	0	0	0	112.5	Q77 K83 E84 M85 F88 I104 T345	Q77-L81 VanDerWaalsContact O-CB 3.28Å; Q77-L81 WeakPolarHBondContact O-CB 3.48Å; Q77-L81 PolarHBondContact O-N 2.95Å; L81-K83 PolarHBondContact O-N 3.28Å; L81-E84 WeakPolarHBondContact O-CB 3.31Å; L81-E84 PolarHBondContact O-N 3.47Å; L81-E84 VanDerWaalsContact O-N 3.13Å; L81-M85 HydrophobicContact CB-CB 4.03Å; L81-M85 HydrophobicContact CD1-CB 4.25Å; L81-M85 HydrophobicContact CD1-CG 4.43Å; L81-F88 HydrophobicContact CD1-CB 4.15Å; L81-F88 HydrophobicContact CD1-CD2 3.94Å; L81-F88 HydrophobicContact CD1-CG 4.06Å; L81-F88 HydrophobicContact CD2-CD2 4.05Å; L81-F88 HydrophobicContact CD2-CE2 3.8Å; L81-F88 HydrophobicContact CD2-CZ 4.17Å; L81-I104 HydrophobicContact CD2-CD1 3.45Å; L81-I104 VanDerWaalsContact CD2-CD1 3.45Å; L81-T345 HydrophobicContact CD1-CG2 4.42Å; L81-T345 HydrophobicContact CD2-CG2 4.33Å
82	G	82.4	Confident	76	Confident	21 Å²	21	52.8 Å²	52.8	22%	0.216	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	-128.7	-167.7	0	0	0	0	0	110.8	E78 E84 M85	E78-G82 WeakPolarHBondContact O-CA 2.85Å; E78-G82 PolarHBondContact O-N 3.41Å; G82-E84 PolarHBondContact O-N 2.88Å; G82-E84 VanDerWaalsContact O-N 3.12Å; G82-M85 WeakPolarHBondContact O-CB 3.24Å; G82-M85 PolarHBondContact O-N 3.01Å
83	K	75.4	Confident	75.4	Confident	84 Å²	84	57.2 Å²	57.2	37%	0.365	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.3	179.5	-49.1	-173.8	-171.1	-153	0	114.6	L81 M85 E135	L81-K83 PolarHBondContact O-N 3.28Å; K83-M85 PolarHBondContact O-N 3.37Å; K83-E135 WeakPolarHBondContact CD-OE2 3.46Å; K83-E135 WeakPolarHBondContact CE-OE2 3.41Å; K83-E135 WeakPolarHBondContact CG-OE2 3.34Å; K83-E135 IonicContact NZ-OE1 3.89Å; K83-E135 PolarHBondContact NZ-OE1 2.67Å; K83-E135 IonicContact NZ-OE2 3.79Å; K83-E135 PolarHBondContact NZ-OE2 3.38Å
84	E	74.1	Confident	75	Confident	30 Å²	30	51.3 Å²	51.3	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-69.4	-16.7	179.6	-58.9	-177.9	-168.4	0	0	110.5	L81 G82 E86 E87 F88 I104 K107	L81-E84 WeakPolarHBondContact O-CB 3.31Å; L81-E84 PolarHBondContact O-N 3.47Å; L81-E84 VanDerWaalsContact O-N 3.13Å; G82-E84 PolarHBondContact O-N 2.88Å; G82-E84 VanDerWaalsContact O-N 3.12Å; E84-E86 PolarHBondContact O-N 3.13Å; E84-E87 WeakPolarHBondContact O-CB 3.47Å; E84-E87 PolarHBondContact O-N 2.96Å; E84-F88 HydrophobicContact CB-CD2 4.24Å; E84-F88 HydrophobicContact CB-CE2 4.16Å; E84-F88 VanDerWaalsContact O-CD2 3.27Å; E84-F88 WeakPolarHBondContact O-CD2 3.47Å; E84-F88 PolarHBondContact O-N 3.48Å; E84-I104 VanDerWaalsContact OE2-CD1 3.22Å; E84-I104 WeakPolarHBondContact OE2-CD1 3.37Å; E84-I104 WeakPolarHBondContact OE2-CG1 3Å; E84-K107 IonicContact OE1-NZ 2.94Å; E84-K107 PolarHBondContact OE1-NZ 3.27Å
85	M	73.5	Confident	74.8	Confident	35 Å²	35	60.8 Å²	60.8	17%	0.172	30%	0.298	C	S	.	.	H	α-helix	trans	-51.8	-49.1	180	-174	175.5	179.5	0	0	113	Q77 E78 L81 G82 K83 E87 F88 E89	Q77-M85 HydrophobicContact CB-CE 4.33Å; E78-M85 HydrophobicContact CG-CE 4.5Å; E78-M85 HydrophobicContact CG-SD 3.8Å; L81-M85 HydrophobicContact CB-CB 4.03Å; L81-M85 HydrophobicContact CD1-CB 4.25Å; L81-M85 HydrophobicContact CD1-CG 4.43Å; G82-M85 WeakPolarHBondContact O-CB 3.24Å; G82-M85 PolarHBondContact O-N 3.01Å; K83-M85 PolarHBondContact O-N 3.37Å; M85-E87 VanDerWaalsContact C-N 3.26Å; M85-E87 PolarHBondContact O-N 2.91Å; M85-F88 PolarHBondContact O-N 3.36Å; M85-F88 VanDerWaalsContact O-N 3.09Å; M85-E89 PolarHBondContact O-N 3.43Å
86	E	68.9	Low	74.5	Confident	122 Å²	122	66 Å²	66	57%	0.57	32%	0.317	S	S	*	.	H	α-helix	trans	-61.2	-37.9	179	-62	-169.7	171.4	0	0	111.8	E84 F88 E89 E90	E84-E86 PolarHBondContact O-N 3.13Å; E86-F88 VanDerWaalsContact C-N 3.31Å; E86-F88 PolarHBondContact O-N 2.96Å; E86-E89 PolarHBondContact O-N 3.32Å; E86-E90 WeakPolarHBondContact O-CB 3.47Å; E86-E90 WeakPolarHBondContact O-CG 3.32Å; E86-E90 PolarHBondContact O-N 3.34Å
87	E	70.5	Confident	74.1	Confident	100 Å²	100	64.1 Å²	64.1	47%	0.467	31%	0.309	S	S	.	.	H	α-helix	trans	-71.3	-26.7	178.6	-48.2	-171.5	178.9	0	0	113	E84 M85 D91 K100	E84-E87 WeakPolarHBondContact O-CB 3.47Å; E84-E87 PolarHBondContact O-N 2.96Å; M85-E87 VanDerWaalsContact C-N 3.26Å; M85-E87 PolarHBondContact O-N 2.91Å; E87-D91 WeakPolarHBondContact O-CB 3.37Å; E87-D91 PolarHBondContact O-N 3.23Å; E87-D91 VanDerWaalsContact O-N 3.1Å; E87-K100 PolarHBondContact O-NZ 3.18Å; E87-K100 IonicContact OE2-NZ 3.49Å; E87-K100 PolarHBondContact OE2-NZ 3.25Å
88	F	70.1	Confident	73.9	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-76.9	-31.5	174.1	-87.1	-94.1	0	0	0	111.9	L81 E84 M85 E86 N97 K100 L101 I104 T345 L349	L81-F88 HydrophobicContact CD1-CB 4.15Å; L81-F88 HydrophobicContact CD1-CD2 3.94Å; L81-F88 HydrophobicContact CD1-CG 4.06Å; L81-F88 HydrophobicContact CD2-CD2 4.05Å; L81-F88 HydrophobicContact CD2-CE2 3.8Å; L81-F88 HydrophobicContact CD2-CZ 4.17Å; E84-F88 HydrophobicContact CB-CD2 4.24Å; E84-F88 HydrophobicContact CB-CE2 4.16Å; E84-F88 VanDerWaalsContact O-CD2 3.27Å; E84-F88 WeakPolarHBondContact O-CD2 3.47Å; E84-F88 PolarHBondContact O-N 3.48Å; M85-F88 PolarHBondContact O-N 3.36Å; M85-F88 VanDerWaalsContact O-N 3.09Å; E86-F88 VanDerWaalsContact C-N 3.31Å; E86-F88 PolarHBondContact O-N 2.96Å; F88-N97 HydrophobicContact CD1-CB 3.77Å; F88-N97 HydrophobicContact CE1-CB 3.82Å; F88-N97 WeakPolarHBondContact CE1-O 3.39Å; F88-N97 PolarHBondContact O-ND2 2.72Å; F88-K100 HydrophobicContact CD2-CD 4.33Å; F88-K100 HydrophobicContact CE1-CB 4.03Å; F88-K100 HydrophobicContact CE2-CB 3.73Å; F88-K100 HydrophobicContact CE2-CD 3.98Å; F88-K100 HydrophobicContact CZ-CB 3.3Å; F88-K100 HydrophobicContact CZ-CD 4.2Å; F88-K100 HydrophobicContact CZ-CG 4.39Å; F88-L101 HydrophobicContact CZ-CB 4.49Å; F88-I104 HydrophobicContact CE2-CD1 3.82Å; F88-I104 HydrophobicContact CZ-CD1 3.91Å; F88-T345 HydrophobicContact CD1-CG2 3.93Å; F88-T345 HydrophobicContact CE1-CG2 3.84Å; F88-L349 HydrophobicContact CE1-CD1 4.41Å
89	E	66.6	Low	73.8	Confident	115 Å²	115	74.9 Å²	74.9	54%	0.537	35%	0.351	S	S	.	.	H	α-helix	trans	-70.4	-38.7	171.8	-69.8	-167.3	160.7	0	0	111.7	M85 E86	M85-E89 PolarHBondContact O-N 3.43Å; E86-E89 PolarHBondContact O-N 3.32Å
90	E	63.8	Low	73.8	Confident	127 Å²	127	76 Å²	76	59%	0.593	36%	0.355	S	S	*	.	H	α-helix	trans	-76.3	-37.9	-179.3	-72.8	-179.1	-175.3	0	0	113.6	K49 E86 S92	K49-E90 IonicContact NZ-OE1 3.3Å; K49-E90 PolarHBondContact NZ-OE1 3.4Å; E86-E90 WeakPolarHBondContact O-CB 3.47Å; E86-E90 WeakPolarHBondContact O-CG 3.32Å; E86-E90 PolarHBondContact O-N 3.34Å; E90-S92 PolarHBondContact O-N 2.82Å; E90-S92 VanDerWaalsContact O-N 3.08Å
91	D	63.8	Low	73.7	Confident	35 Å²	35	76 Å²	76	19%	0.187	36%	0.355	C	S	.	.			trans	-78.3	95.7	177.4	-87.1	-42.3	0	0	0	110.7	E87 E93 R96 N97 K100	E87-D91 WeakPolarHBondContact O-CB 3.37Å; E87-D91 PolarHBondContact O-N 3.23Å; E87-D91 VanDerWaalsContact O-N 3.1Å; D91-E93 PolarHBondContact O-N 3.28Å; D91-R96 IonicContact OD1-NH1 2.71Å; D91-R96 PolarHBondContact OD1-NH1 2.91Å; D91-N97 WeakPolarHBondContact CB-OD1 3.37Å; D91-N97 PolarHBondContact O-ND2 2.86Å; D91-N97 PolarHBondContact O-OD1 3.41Å; D91-K100 WeakPolarHBondContact OD2-CE 3.48Å; D91-K100 IonicContact OD2-NZ 2.77Å; D91-K100 PolarHBondContact OD2-NZ 2.82Å
92	S	62.8	Low	73.9	Confident	115 Å²	115	78.6 Å²	78.6	80%	0.804	37%	0.368	S	S	*	.			trans	-72	-2.3	171.6	52.3	0	0	0	0	114.3	E90 P94	E90-S92 PolarHBondContact O-N 2.82Å; E90-S92 VanDerWaalsContact O-N 3.08Å; S92-P94 VanDerWaalsContact O-CD 3.32Å; S92-P94 WeakPolarHBondContact O-CD 3.18Å
93	E	67.5	Low	74.2	Confident	100 Å²	100	83 Å²	83	47%	0.467	38%	0.384	S	S	.	.			trans	-88.3	111.4	-179.6	-74.2	-167	170.6	0	0	112.2	D91 R95 R96 N97	D91-E93 PolarHBondContact O-N 3.28Å; E93-R95 PolarHBondContact O-N 2.99Å; E93-R96 HydrophobicContact CB-CB 4.35Å; E93-R96 HydrophobicContact CB-CG 4.05Å; E93-R96 PolarHBondContact O-N 3.23Å; E93-R96 WeakPolarHBondContact OE2-CD 3.36Å; E93-R96 IonicContact OE2-CZ 3.66Å; E93-R96 IonicContact OE2-NE 3.04Å; E93-R96 PolarHBondContact OE2-NE 3.14Å; E93-R96 IonicContact OE2-NH2 2.69Å; E93-N97 PolarHBondContact O-N 3.12Å
94	P	69.3	Low	74.8	Confident	51 Å²	51	79 Å²	79	33%	0.331	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-26.8	-176.3	-24.5	34.5	0	0	0	113.9	S92 R98	S92-P94 VanDerWaalsContact O-CD 3.32Å; S92-P94 WeakPolarHBondContact O-CD 3.18Å; P94-R98 WeakPolarHBondContact O-CB 2.92Å; P94-R98 PolarHBondContact O-N 2.95Å
95	R	73.4	Confident	75.5	Confident	211 Å²	211	78.2 Å²	78.2	80%	0.796	36%	0.362	S	S	*	.	H	α-helix	trans	-71.5	-32.7	178.1	-73.9	-177.6	174.4	153.6	0.4	113.2	E93 K99	E93-R95 PolarHBondContact O-N 2.99Å; R95-K99 WeakPolarHBondContact O-CG 3.4Å; R95-K99 PolarHBondContact O-N 2.95Å
96	R	75.6	Confident	76.3	Confident	125 Å²	125	80 Å²	80	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-74.9	-48.5	177.8	-67.8	-173.5	-172.9	-167.1	-0.8	109.8	D91 E93 R98 K99 K100	D91-R96 IonicContact OD1-NH1 2.71Å; D91-R96 PolarHBondContact OD1-NH1 2.91Å; E93-R96 HydrophobicContact CB-CB 4.35Å; E93-R96 HydrophobicContact CB-CG 4.05Å; E93-R96 PolarHBondContact O-N 3.23Å; E93-R96 WeakPolarHBondContact OE2-CD 3.36Å; E93-R96 IonicContact OE2-CZ 3.66Å; E93-R96 IonicContact OE2-NE 3.04Å; E93-R96 PolarHBondContact OE2-NE 3.14Å; E93-R96 IonicContact OE2-NH2 2.69Å; R96-R98 VanDerWaalsContact C-N 3.27Å; R96-R98 PolarHBondContact O-N 3Å; R96-K99 WeakPolarHBondContact O-CA 3.4Å; R96-K99 WeakPolarHBondContact O-CB 3.47Å; R96-K99 PolarHBondContact O-N 2.89Å; R96-K100 PolarHBondContact O-N 3.18Å
97	N	75.1	Confident	77.3	Confident	5 Å²	5	79.2 Å²	79.2	3%	0.027	37%	0.373	C	S	.	.	H	α-helix	trans	-61.7	-37.5	178.1	-64.4	5	0	0	0	111.5	F88 D91 E93 K99 K100 L101 L349	F88-N97 HydrophobicContact CD1-CB 3.77Å; F88-N97 HydrophobicContact CE1-CB 3.82Å; F88-N97 WeakPolarHBondContact CE1-O 3.39Å; F88-N97 PolarHBondContact O-ND2 2.72Å; D91-N97 WeakPolarHBondContact CB-OD1 3.37Å; D91-N97 PolarHBondContact O-ND2 2.86Å; D91-N97 PolarHBondContact O-OD1 3.41Å; E93-N97 PolarHBondContact O-N 3.12Å; N97-K99 PolarHBondContact O-N 3.17Å; N97-K100 PolarHBondContact O-N 3.38Å; N97-L101 WeakPolarHBondContact O-CB 3.31Å; N97-L101 PolarHBondContact O-N 3.11Å; N97-L349 HydrophobicContact CB-CD1 3.98Å; N97-L349 HydrophobicContact CB-CD2 3.22Å; N97-L349 HydrophobicContact CB-CG 4.26Å; N97-L349 WeakPolarHBondContact ND2-CD2 3.34Å
98	R	80.3	Confident	78.3	Confident	147 Å²	147	74.8 Å²	74.8	56%	0.555	35%	0.352	S	S	*	.	H	α-helix	trans	-59.8	-42.6	170.7	-177	173.6	-178.6	-153.4	0.5	112.8	P94 R96 L101 I102 L338	P94-R98 WeakPolarHBondContact O-CB 2.92Å; P94-R98 PolarHBondContact O-N 2.95Å; R96-R98 VanDerWaalsContact C-N 3.27Å; R96-R98 PolarHBondContact O-N 3Å; R98-L101 PolarHBondContact O-N 2.91Å; R98-I102 HydrophobicContact CG-CD1 4.11Å; R98-I102 WeakPolarHBondContact O-CD1 3.31Å; R98-I102 VanDerWaalsContact O-CG1 3.22Å; R98-I102 WeakPolarHBondContact O-CG1 3.27Å; R98-I102 PolarHBondContact O-N 3.5Å; R98-I102 VanDerWaalsContact O-N 3.1Å; R98-L338 HydrophobicContact CG-CD2 3.82Å
99	K	84	Confident	79.3	Confident	138 Å²	138	75 Å²	75	60%	0.6	35%	0.354	S	S	*	.	H	α-helix	trans	-65.7	-44.2	177	-75.5	177	178	-176.7	0	111.4	R95 R96 N97 L101 I102 E103	R95-K99 WeakPolarHBondContact O-CG 3.4Å; R95-K99 PolarHBondContact O-N 2.95Å; R96-K99 WeakPolarHBondContact O-CA 3.4Å; R96-K99 WeakPolarHBondContact O-CB 3.47Å; R96-K99 PolarHBondContact O-N 2.89Å; N97-K99 PolarHBondContact O-N 3.17Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-L101 PolarHBondContact O-N 3.41Å; K99-I102 WeakPolarHBondContact O-CB 3.18Å; K99-I102 PolarHBondContact O-N 3.04Å; K99-I102 VanDerWaalsContact O-N 3.16Å; K99-E103 WeakPolarHBondContact O-CG 3.29Å; K99-E103 PolarHBondContact O-N 3.42Å
100	K	83.6	Confident	80.4	Confident	29 Å²	29	75.8 Å²	75.8	13%	0.126	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-44.8	175.4	-65.7	-174.5	-172.4	-172.7	0	111.3	E87 F88 D91 R96 N97 I102 E103 I104	E87-K100 PolarHBondContact O-NZ 3.18Å; E87-K100 IonicContact OE2-NZ 3.49Å; E87-K100 PolarHBondContact OE2-NZ 3.25Å; F88-K100 HydrophobicContact CD2-CD 4.33Å; F88-K100 HydrophobicContact CE1-CB 4.03Å; F88-K100 HydrophobicContact CE2-CB 3.73Å; F88-K100 HydrophobicContact CE2-CD 3.98Å; F88-K100 HydrophobicContact CZ-CB 3.3Å; F88-K100 HydrophobicContact CZ-CD 4.2Å; F88-K100 HydrophobicContact CZ-CG 4.39Å; D91-K100 WeakPolarHBondContact OD2-CE 3.48Å; D91-K100 IonicContact OD2-NZ 2.77Å; D91-K100 PolarHBondContact OD2-NZ 2.82Å; R96-K100 PolarHBondContact O-N 3.18Å; N97-K100 PolarHBondContact O-N 3.38Å; K100-I102 VanDerWaalsContact C-N 3.29Å; K100-I102 PolarHBondContact O-N 3.06Å; K100-E103 CarbonylContact O-C 3.59Å; K100-E103 WeakPolarHBondContact O-CA 3.33Å; K100-E103 WeakPolarHBondContact O-CB 3.39Å; K100-E103 PolarHBondContact O-N 3.08Å; K100-I104 WeakPolarHBondContact O-CG1 3.36Å; K100-I104 PolarHBondContact O-N 3.03Å
101	L	84.4	Confident	81.7	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-34.7	177.7	-167.9	57.6	0	0	0	112.5	F80 F88 N97 R98 K99 F105 I337 L338 T345 L349	F80-L101 HydrophobicContact CE1-CD1 3.62Å; F80-L101 HydrophobicContact CZ-CD1 4.01Å; F88-L101 HydrophobicContact CZ-CB 4.49Å; N97-L101 WeakPolarHBondContact O-CB 3.31Å; N97-L101 PolarHBondContact O-N 3.11Å; R98-L101 PolarHBondContact O-N 2.91Å; K99-L101 VanDerWaalsContact C-N 3.33Å; K99-L101 PolarHBondContact O-N 3.41Å; L101-F105 WeakPolarHBondContact O-CB 3.45Å; L101-F105 PolarHBondContact O-N 2.91Å; L101-I337 HydrophobicContact CD1-CG2 3.78Å; L101-I337 HydrophobicContact CD2-CG2 3.85Å; L101-I337 HydrophobicContact CG-CG2 3.73Å; L101-L338 HydrophobicContact CB-CD2 4.43Å; L101-L338 HydrophobicContact CD2-CD2 3.93Å; L101-L338 HydrophobicContact CG-CD2 4.31Å; L101-T345 HydrophobicContact CD1-CG2 4.29Å; L101-T345 HydrophobicContact CD2-CG2 4.45Å; L101-L349 HydrophobicContact CD2-CD1 4.33Å
102	I	87.5	Confident	83	Confident	57 Å²	57	80.2 Å²	80.2	29%	0.292	38%	0.375	S	S	.	.	H	α-helix	trans	-67	-37.9	171.6	-66.9	161.8	0	0	0	111.3	R98 K99 K100 S106 L334 L338	R98-I102 HydrophobicContact CG-CD1 4.11Å; R98-I102 WeakPolarHBondContact O-CD1 3.31Å; R98-I102 VanDerWaalsContact O-CG1 3.22Å; R98-I102 WeakPolarHBondContact O-CG1 3.27Å; R98-I102 PolarHBondContact O-N 3.5Å; R98-I102 VanDerWaalsContact O-N 3.1Å; K99-I102 WeakPolarHBondContact O-CB 3.18Å; K99-I102 PolarHBondContact O-N 3.04Å; K99-I102 VanDerWaalsContact O-N 3.16Å; K100-I102 VanDerWaalsContact C-N 3.29Å; K100-I102 PolarHBondContact O-N 3.06Å; I102-S106 PolarHBondContact O-N 3.19Å; I102-S106 PolarHBondContact O-OG 2.89Å; I102-L334 HydrophobicContact CG1-CD1 4.01Å; I102-L334 HydrophobicContact CG1-CD2 4.36Å; I102-L338 HydrophobicContact CG1-CD2 4.44Å
103	E	88.4	Confident	84.4	Confident	114 Å²	114	78.8 Å²	78.8	53%	0.533	36%	0.359	S	S	.	.	H	α-helix	trans	-66.9	-44.5	175.9	-71	173.8	-163.4	0	0	111.3	K99 K100 S106 K107	K99-E103 WeakPolarHBondContact O-CG 3.29Å; K99-E103 PolarHBondContact O-N 3.42Å; K100-E103 CarbonylContact O-C 3.59Å; K100-E103 WeakPolarHBondContact O-CA 3.33Å; K100-E103 WeakPolarHBondContact O-CB 3.39Å; K100-E103 PolarHBondContact O-N 3.08Å; E103-S106 WeakPolarHBondContact O-CB 3.11Å; E103-S106 PolarHBondContact O-N 3.42Å; E103-K107 WeakPolarHBondContact O-CG 3.47Å; E103-K107 PolarHBondContact O-N 3.13Å
104	I	87.9	Confident	85.5	Confident	0 Å²	0	81.9 Å²	81.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-57	-51.7	172.2	-66.7	172.9	0	0	0	109.8	F80 L81 E84 F88 K100 S106 K107 V108 W124	F80-I104 HydrophobicContact CE1-CG2 4.02Å; F80-I104 HydrophobicContact CE2-CG2 4.19Å; F80-I104 HydrophobicContact CZ-CG2 3.66Å; L81-I104 HydrophobicContact CD2-CD1 3.45Å; L81-I104 VanDerWaalsContact CD2-CD1 3.45Å; E84-I104 VanDerWaalsContact OE2-CD1 3.22Å; E84-I104 WeakPolarHBondContact OE2-CD1 3.37Å; E84-I104 WeakPolarHBondContact OE2-CG1 3Å; F88-I104 HydrophobicContact CE2-CD1 3.82Å; F88-I104 HydrophobicContact CZ-CD1 3.91Å; K100-I104 WeakPolarHBondContact O-CG1 3.36Å; K100-I104 PolarHBondContact O-N 3.03Å; I104-S106 PolarHBondContact O-N 3.38Å; I104-S106 VanDerWaalsContact O-N 3.16Å; I104-K107 WeakPolarHBondContact O-CA 3.37Å; I104-K107 WeakPolarHBondContact O-CB 3.47Å; I104-K107 PolarHBondContact O-N 3.1Å; I104-V108 HydrophobicContact CG2-CG2 3.92Å; I104-V108 VanDerWaalsContact O-CG2 3.27Å; I104-V108 WeakPolarHBondContact O-CG2 3.43Å; I104-V108 PolarHBondContact O-N 2.92Å; I104-W124 HydrophobicContact CG2-CZ2 3.75Å
105	F	88.8	Confident	86.5	Confident	12 Å²	12	80.3 Å²	80.3	5%	0.053	36%	0.361	C	S	.	.	H	α-helix	trans	-51.7	-43.5	177.4	-179.2	-90.9	0	0	0	112.1	L101 K107 V108 D109 K114 V116 L334 I337	L101-F105 WeakPolarHBondContact O-CB 3.45Å; L101-F105 PolarHBondContact O-N 2.91Å; F105-K107 VanDerWaalsContact C-N 3.28Å; F105-K107 PolarHBondContact O-N 3.46Å; F105-V108 PolarHBondContact O-N 3.19Å; F105-D109 HydrophobicContact CE1-CB 4.35Å; F105-D109 WeakPolarHBondContact O-CB 3.35Å; F105-D109 PolarHBondContact O-N 2.9Å; F105-K114 WeakPolarHBondContact CZ-O 3.5Å; F105-V116 HydrophobicContact CD2-CG2 3.91Å; F105-V116 HydrophobicContact CE2-CG2 3.62Å; F105-V116 HydrophobicContact CZ-CG2 4.2Å; F105-L334 HydrophobicContact CB-CD1 3.86Å; F105-L334 HydrophobicContact CD1-CB 4.33Å; F105-L334 HydrophobicContact CD1-CD1 4.02Å; F105-L334 HydrophobicContact CD2-CB 4.37Å; F105-L334 HydrophobicContact CD2-CD1 4.06Å; F105-L334 HydrophobicContact CE1-CB 4.12Å; F105-L334 HydrophobicContact CE2-CB 4.14Å; F105-L334 HydrophobicContact CG-CB 4.45Å; F105-L334 HydrophobicContact CG-CD1 3.7Å; F105-L334 HydrophobicContact CZ-CB 4.02Å; F105-I337 HydrophobicContact CD2-CD1 3.54Å; F105-I337 HydrophobicContact CE2-CD1 3.86Å
106	S	89.2	Confident	87.5	Confident	74 Å²	74	70.2 Å²	70.2	52%	0.517	32%	0.323	S	S	.	.	H	α-helix	trans	-69.4	-24.1	179.2	-55.4	0	0	0	0	113.6	I102 E103 I104	I102-S106 PolarHBondContact O-N 3.19Å; I102-S106 PolarHBondContact O-OG 2.89Å; E103-S106 WeakPolarHBondContact O-CB 3.11Å; E103-S106 PolarHBondContact O-N 3.42Å; I104-S106 PolarHBondContact O-N 3.38Å; I104-S106 VanDerWaalsContact O-N 3.16Å
107	K	90.1	Very high	88.4	Confident	105 Å²	105	65.7 Å²	65.7	46%	0.457	31%	0.31	S	S	.	.	H	α-helix	trans	-79.4	-40	172.8	-66.1	172.5	-172.2	174.8	0	111	E84 E103 I104 F105 W124	E84-K107 IonicContact OE1-NZ 2.94Å; E84-K107 PolarHBondContact OE1-NZ 3.27Å; E103-K107 WeakPolarHBondContact O-CG 3.47Å; E103-K107 PolarHBondContact O-N 3.13Å; I104-K107 WeakPolarHBondContact O-CA 3.37Å; I104-K107 WeakPolarHBondContact O-CB 3.47Å; I104-K107 PolarHBondContact O-N 3.1Å; F105-K107 VanDerWaalsContact C-N 3.28Å; F105-K107 PolarHBondContact O-N 3.46Å; K107-W124 HydrophobicContact CB-CE3 4.39Å; K107-W124 HydrophobicContact CB-CH2 3.86Å; K107-W124 HydrophobicContact CB-CZ3 3.56Å; K107-W124 HydrophobicContact CD-CH2 3.72Å; K107-W124 HydrophobicContact CD-CZ3 4.08Å; K107-W124 HydrophobicContact CG-CH2 4.46Å; K107-W124 HydrophobicContact CG-CZ3 4.46Å
108	V	91.6	Very high	89.2	Confident	6 Å²	6	66.4 Å²	66.4	4%	0.036	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-43.3	179.8	-176.3	0	0	0	0	111.1	I104 F105 F110 V116 M121 W124	I104-V108 HydrophobicContact CG2-CG2 3.92Å; I104-V108 VanDerWaalsContact O-CG2 3.27Å; I104-V108 WeakPolarHBondContact O-CG2 3.43Å; I104-V108 PolarHBondContact O-N 2.92Å; F105-V108 PolarHBondContact O-N 3.19Å; V108-F110 VanDerWaalsContact C-N 3.25Å; V108-F110 PolarHBondContact O-N 2.92Å; V108-V116 HydrophobicContact CB-CG2 4.09Å; V108-V116 HydrophobicContact CG1-CB 4.26Å; V108-V116 HydrophobicContact CG1-CG1 3.44Å; V108-V116 VanDerWaalsContact CG1-CG1 3.44Å; V108-V116 HydrophobicContact CG1-CG2 3.76Å; V108-M121 HydrophobicContact CG1-SD 4.45Å; V108-W124 HydrophobicContact CB-CG 4.49Å; V108-W124 HydrophobicContact CG1-CB 4.09Å; V108-W124 HydrophobicContact CG1-CG 4.39Å; V108-W124 HydrophobicContact CG2-CB 4.14Å; V108-W124 HydrophobicContact CG2-CD2 3.52Å; V108-W124 HydrophobicContact CG2-CE3 4.01Å; V108-W124 HydrophobicContact CG2-CG 3.59Å; V108-W124 HydrophobicContact CG2-CZ2 4.34Å
109	D	91.8	Very high	89.9	Confident	10 Å²	10	67 Å²	67	5%	0.053	32%	0.323	C	S	.	.			trans	-70	78.8	175.6	178.8	10.7	0	0	0	110.9	F105 N111 K112 D113 K114 V116	F105-D109 HydrophobicContact CE1-CB 4.35Å; F105-D109 WeakPolarHBondContact O-CB 3.35Å; F105-D109 PolarHBondContact O-N 2.9Å; D109-N111 VanDerWaalsContact C-N 3.35Å; D109-N111 PolarHBondContact OD1-OD1 2.9Å; D109-K112 PolarHBondContact O-N 3.31Å; D109-K112 WeakPolarHBondContact OD1-CA 3.25Å; D109-K112 PolarHBondContact OD1-N 3.39Å; D109-K112 VanDerWaalsContact OD2-CA 3.29Å; D109-K112 WeakPolarHBondContact OD2-CA 3.24Å; D109-D113 PolarHBondContact OD1-N 3Å; D109-D113 PolarHBondContact OD2-N 3.36Å; D109-K114 VanDerWaalsContact OD2-CA 3.23Å; D109-K114 WeakPolarHBondContact OD2-CA 3.48Å; D109-K114 PolarHBondContact OD2-N 2.87Å; D109-V116 HydrophobicContact CB-CG2 4.31Å
110	F	90.3	Very high	90.4	Very high	131 Å²	131	61.3 Å²	61.3	58%	0.575	30%	0.299	S	S	*	.	S	Bend	trans	-66.7	-37.4	-176.3	-177.2	-99	0	0	0	112.1	V108 E120 R123	V108-F110 VanDerWaalsContact C-N 3.25Å; V108-F110 PolarHBondContact O-N 2.92Å; F110-E120 HydrophobicContact CB-CG 4.35Å; F110-R123 VanDerWaalsContact CD2-NH1 3.3Å; F110-R123 VanDerWaalsContact CZ-NH1 3.33Å
111	N	91.1	Very high	90.8	Very high	82 Å²	82	60 Å²	60	44%	0.439	29%	0.293	S	S	.	.	S	Bend	trans	-84.5	-13.1	-176.4	78.8	31.6	0	0	0	113	D109 D113 E120	D109-N111 VanDerWaalsContact C-N 3.35Å; D109-N111 PolarHBondContact OD1-OD1 2.9Å; N111-D113 PolarHBondContact ND2-OD2 3.4Å; N111-D113 WeakPolarHBondContact OD1-CA 3.3Å; N111-D113 WeakPolarHBondContact OD1-CB 3.26Å; N111-D113 PolarHBondContact OD1-N 2.84Å; N111-D113 PolarHBondContact OD1-OD1 3.35Å; N111-D113 PolarHBondContact OD1-OD2 2.74Å; N111-D113 VanDerWaalsContact OD1-OD2 3.07Å; N111-E120 WeakPolarHBondContact CB-OE1 3.11Å; N111-E120 PolarHBondContact N-OE1 2.95Å; N111-E120 PolarHBondContact ND2-OE1 2.81Å
112	K	91.4	Very high	91.2	Very high	172 Å²	172	61.6 Å²	61.6	75%	0.748	30%	0.301	S	S	*	.			trans	66.1	30.6	179.1	-55	-177.6	-179.3	-178.2	0	114.3	D109	D109-K112 PolarHBondContact O-N 3.31Å; D109-K112 WeakPolarHBondContact OD1-CA 3.25Å; D109-K112 PolarHBondContact OD1-N 3.39Å; D109-K112 VanDerWaalsContact OD2-CA 3.29Å; D109-K112 WeakPolarHBondContact OD2-CA 3.24Å
113	D	91.4	Very high	91.5	Very high	85 Å²	85	64.7 Å²	64.7	46%	0.455	31%	0.309	S	S	.	.	S	Bend	trans	-84	0.1	176.7	71.5	19.5	0	0	0	113.2	D109 N111 S115	D109-D113 PolarHBondContact OD1-N 3Å; D109-D113 PolarHBondContact OD2-N 3.36Å; N111-D113 PolarHBondContact ND2-OD2 3.4Å; N111-D113 WeakPolarHBondContact OD1-CA 3.3Å; N111-D113 WeakPolarHBondContact OD1-CB 3.26Å; N111-D113 PolarHBondContact OD1-N 2.84Å; N111-D113 PolarHBondContact OD1-OD1 3.35Å; N111-D113 PolarHBondContact OD1-OD2 2.74Å; N111-D113 VanDerWaalsContact OD1-OD2 3.07Å; D113-S115 VanDerWaalsContact CG-OG 3.31Å; D113-S115 WeakPolarHBondContact OD1-CA 3.48Å; D113-S115 WeakPolarHBondContact OD1-CB 2.94Å; D113-S115 PolarHBondContact OD1-N 2.69Å; D113-S115 PolarHBondContact OD1-OG 3.19Å
114	K	89.8	Confident	91.7	Very high	166 Å²	166	59.8 Å²	59.8	72%	0.722	29%	0.285	S	S	*	.	S	Bend	trans	66.8	22.4	-177.7	-50.4	177.3	177.7	179.9	0	113.5	F105 D109	F105-K114 WeakPolarHBondContact CZ-O 3.5Å; D109-K114 VanDerWaalsContact OD2-CA 3.23Å; D109-K114 WeakPolarHBondContact OD2-CA 3.48Å; D109-K114 PolarHBondContact OD2-N 2.87Å
115	S	91.9	Very high	91.7	Very high	17 Å²	17	60 Å²	60	12%	0.119	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	147.7	170	69.8	0	0	0	0	109.2	D113 L332	D113-S115 VanDerWaalsContact CG-OG 3.31Å; D113-S115 WeakPolarHBondContact OD1-CA 3.48Å; D113-S115 WeakPolarHBondContact OD1-CB 2.94Å; D113-S115 PolarHBondContact OD1-N 2.69Å; D113-S115 PolarHBondContact OD1-OG 3.19Å; S115-L332 CarbonylContact C-O 3.57Å; S115-L332 WeakPolarHBondContact CA-O 3.26Å
116	V	93.1	Very high	91.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.3	176.9	169.9	0	0	0	0	108.5	F105 V108 D109 E120 M121 N331 L332	F105-V116 HydrophobicContact CD2-CG2 3.91Å; F105-V116 HydrophobicContact CE2-CG2 3.62Å; F105-V116 HydrophobicContact CZ-CG2 4.2Å; V108-V116 HydrophobicContact CB-CG2 4.09Å; V108-V116 HydrophobicContact CG1-CB 4.26Å; V108-V116 HydrophobicContact CG1-CG1 3.44Å; V108-V116 VanDerWaalsContact CG1-CG1 3.44Å; V108-V116 HydrophobicContact CG1-CG2 3.76Å; D109-V116 HydrophobicContact CB-CG2 4.31Å; V116-E120 HydrophobicContact CG1-CB 4.36Å; V116-M121 HydrophobicContact CG1-CB 3.99Å; V116-M121 HydrophobicContact CG1-CE 3.92Å; V116-N331 CarbonylContact O-C 3.59Å; V116-N331 VanDerWaalsContact O-CA 3.31Å; V116-N331 WeakPolarHBondContact O-CA 3.43Å; V116-L332 HydrophobicContact CB-CB 4.28Å; V116-L332 PolarHBondContact N-O 3.37Å; V116-L332 PolarHBondContact O-N 3.06Å
117	S	94.1	Very high	91.9	Very high	29 Å²	29	62 Å²	62	20%	0.203	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	160.8	174.1	68.1	0	0	0	0	112.1	K119 E120 M121 N331	S117-K119 PolarHBondContact O-N 3.33Å; S117-K119 VanDerWaalsContact O-N 3.09Å; S117-E120 WeakPolarHBondContact CB-OE2 3.43Å; S117-E120 PolarHBondContact N-OE2 3.14Å; S117-E120 PolarHBondContact O-N 2.98Å; S117-E120 PolarHBondContact OG-N 3.21Å; S117-E120 PolarHBondContact OG-OE2 2.96Å; S117-M121 PolarHBondContact O-N 2.89Å; S117-N331 WeakPolarHBondContact CA-OD1 3.36Å
118	A	93.4	Very high	91.8	Very high	21 Å²	21	57.7 Å²	57.7	17%	0.174	27%	0.269	C	S	.	.	H	α-helix	trans	-55.2	-30.3	175.8	0	0	0	0	0	113.6	Q122 L314 A317 K318 I321	A118-Q122 VanDerWaalsContact O-CB 3.23Å; A118-Q122 WeakPolarHBondContact O-CB 3.28Å; A118-Q122 PolarHBondContact O-N 3.41Å; A118-L314 HydrophobicContact CB-CD1 4.2Å; A118-A317 WeakPolarHBondContact O-CB 3.4Å; A118-K318 HydrophobicContact CB-CG 4.08Å; A118-I321 HydrophobicContact CB-CD1 3.68Å; A118-I321 VanDerWaalsContact N-CD1 3.32Å
119	K	93.6	Very high	91.6	Very high	159 Å²	159	57.8 Å²	57.8	69%	0.691	27%	0.27	S	S	*	.	H	α-helix	trans	-75.7	-35.2	177.7	-69.6	-176.4	177.3	-179.8	0	112.8	S117 R123	S117-K119 PolarHBondContact O-N 3.33Å; S117-K119 VanDerWaalsContact O-N 3.09Å; K119-R123 WeakPolarHBondContact O-CB 3.48Å; K119-R123 PolarHBondContact O-N 3.4Å
120	E	94.3	Very high	91.4	Very high	18 Å²	18	61.2 Å²	61.2	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-70.3	-43.1	175.4	-79.2	157.4	154.5	0	0	110.7	F110 N111 V116 S117 R123 W124	F110-E120 HydrophobicContact CB-CG 4.35Å; N111-E120 WeakPolarHBondContact CB-OE1 3.11Å; N111-E120 PolarHBondContact N-OE1 2.95Å; N111-E120 PolarHBondContact ND2-OE1 2.81Å; V116-E120 HydrophobicContact CG1-CB 4.36Å; S117-E120 WeakPolarHBondContact CB-OE2 3.43Å; S117-E120 PolarHBondContact N-OE2 3.14Å; S117-E120 PolarHBondContact O-N 2.98Å; S117-E120 PolarHBondContact OG-N 3.21Å; S117-E120 PolarHBondContact OG-OE2 2.96Å; E120-R123 PolarHBondContact O-N 3.48Å; E120-W124 WeakPolarHBondContact O-CB 3.37Å; E120-W124 PolarHBondContact O-N 2.94Å
121	M	92.5	Very high	91.3	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.005	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-43.7	173.5	-172.5	67.5	81.1	0	0	111.9	F80 V108 V116 S117 R123 W124 I125 A317 M320 L332 F344	F80-M121 HydrophobicContact CD2-CE 4.24Å; F80-M121 HydrophobicContact CD2-SD 3.9Å; F80-M121 HydrophobicContact CE2-CE 3.9Å; F80-M121 HydrophobicContact CE2-SD 4.01Å; V108-M121 HydrophobicContact CG1-SD 4.45Å; V116-M121 HydrophobicContact CG1-CB 3.99Å; V116-M121 HydrophobicContact CG1-CE 3.92Å; S117-M121 PolarHBondContact O-N 2.89Å; M121-R123 VanDerWaalsContact C-N 3.32Å; M121-R123 PolarHBondContact O-N 3.15Å; M121-W124 WeakPolarHBondContact O-CB 3.45Å; M121-W124 PolarHBondContact O-N 3.41Å; M121-I125 HydrophobicContact CG-CD1 4.08Å; M121-I125 WeakPolarHBondContact O-CG1 3.35Å; M121-I125 PolarHBondContact O-N 2.96Å; M121-A317 HydrophobicContact CB-CB 3.73Å; M121-A317 HydrophobicContact CG-CB 3.71Å; M121-M320 HydrophobicContact CG-SD 4.41Å; M121-M320 HydrophobicContact SD-SD 4.38Å; M121-L332 HydrophobicContact CE-CD1 3.86Å; M121-F344 HydrophobicContact CE-CE1 4.34Å
122	Q	93.3	Very high	90.9	Very high	34 Å²	34	56 Å²	56	16%	0.159	26%	0.261	C	S	.	.	H	α-helix	trans	-56.1	-47.8	174.1	177.8	-165.3	14.1	0	0	111.4	A118 W124 I125 M126 E310 A313 L314 A317	A118-Q122 VanDerWaalsContact O-CB 3.23Å; A118-Q122 WeakPolarHBondContact O-CB 3.28Å; A118-Q122 PolarHBondContact O-N 3.41Å; Q122-W124 VanDerWaalsContact C-N 3.31Å; Q122-W124 PolarHBondContact O-N 2.92Å; Q122-I125 PolarHBondContact O-N 3.04Å; Q122-M126 WeakPolarHBondContact O-CG 3.47Å; Q122-M126 PolarHBondContact O-N 3.43Å; Q122-E310 PolarHBondContact NE2-O 3.48Å; Q122-A313 HydrophobicContact CG-CB 4.04Å; Q122-L314 HydrophobicContact CB-CD1 4.23Å; Q122-L314 HydrophobicContact CG-CB 4.07Å; Q122-A317 HydrophobicContact CB-CB 4.22Å
123	R	92.9	Very high	90.7	Very high	122 Å²	122	48.5 Å²	48.5	46%	0.46	23%	0.228	S	C	.	.	H	α-helix	trans	-61.4	-42.5	178.7	179.1	-179.5	176.4	179.3	-1.9	111.3	F110 K119 E120 M121 M126 E127	F110-R123 VanDerWaalsContact CD2-NH1 3.3Å; F110-R123 VanDerWaalsContact CZ-NH1 3.33Å; K119-R123 WeakPolarHBondContact O-CB 3.48Å; K119-R123 PolarHBondContact O-N 3.4Å; E120-R123 PolarHBondContact O-N 3.48Å; M121-R123 VanDerWaalsContact C-N 3.32Å; M121-R123 PolarHBondContact O-N 3.15Å; R123-M126 PolarHBondContact O-N 3.04Å; R123-E127 WeakPolarHBondContact O-CB 3.25Å; R123-E127 PolarHBondContact O-N 2.73Å
124	W	92.4	Very high	90.5	Very high	11 Å²	11	49 Å²	49	4%	0.042	23%	0.228	C	C	.	.	H	α-helix	trans	-61.5	-47.7	177.3	176.2	-103.9	0	0	0	112.1	F80 I104 K107 V108 E120 M121 Q122 M126 E127 K128	F80-W124 PolarHBondContact O-NE1 3.4Å; I104-W124 HydrophobicContact CG2-CZ2 3.75Å; K107-W124 HydrophobicContact CB-CE3 4.39Å; K107-W124 HydrophobicContact CB-CH2 3.86Å; K107-W124 HydrophobicContact CB-CZ3 3.56Å; K107-W124 HydrophobicContact CD-CH2 3.72Å; K107-W124 HydrophobicContact CD-CZ3 4.08Å; K107-W124 HydrophobicContact CG-CH2 4.46Å; K107-W124 HydrophobicContact CG-CZ3 4.46Å; V108-W124 HydrophobicContact CB-CG 4.49Å; V108-W124 HydrophobicContact CG1-CB 4.09Å; V108-W124 HydrophobicContact CG1-CG 4.39Å; V108-W124 HydrophobicContact CG2-CB 4.14Å; V108-W124 HydrophobicContact CG2-CD2 3.52Å; V108-W124 HydrophobicContact CG2-CE3 4.01Å; V108-W124 HydrophobicContact CG2-CG 3.59Å; V108-W124 HydrophobicContact CG2-CZ2 4.34Å; E120-W124 WeakPolarHBondContact O-CB 3.37Å; E120-W124 PolarHBondContact O-N 2.94Å; M121-W124 WeakPolarHBondContact O-CB 3.45Å; M121-W124 PolarHBondContact O-N 3.41Å; Q122-W124 VanDerWaalsContact C-N 3.31Å; Q122-W124 PolarHBondContact O-N 2.92Å; W124-M126 VanDerWaalsContact C-N 3.34Å; W124-M126 PolarHBondContact O-N 2.99Å; W124-E127 PolarHBondContact O-N 2.83Å; W124-K128 HydrophobicContact CD2-CG 4.21Å; W124-K128 HydrophobicContact CH2-CD 4.49Å; W124-K128 HydrophobicContact CZ2-CD 4.15Å; W124-K128 HydrophobicContact CZ2-CG 4.16Å; W124-K128 WeakPolarHBondContact O-CG 3.47Å; W124-K128 PolarHBondContact O-N 3.08Å
125	I	89.8	Confident	90.3	Very high	5 Å²	5	42.9 Å²	42.9	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-55.4	-50.1	175.7	-71	164.7	0	0	0	110.2	V79 M121 Q122 E127 K128 T129 A313 E316 A317 M320	V79-I125 HydrophobicContact CB-CG1 4.32Å; V79-I125 HydrophobicContact CB-CG2 4.07Å; V79-I125 HydrophobicContact CG1-CG2 4.49Å; V79-I125 HydrophobicContact CG2-CG1 4.23Å; M121-I125 HydrophobicContact CG-CD1 4.08Å; M121-I125 WeakPolarHBondContact O-CG1 3.35Å; M121-I125 PolarHBondContact O-N 2.96Å; Q122-I125 PolarHBondContact O-N 3.04Å; I125-E127 VanDerWaalsContact C-N 3.34Å; I125-E127 PolarHBondContact O-N 3.36Å; I125-K128 PolarHBondContact O-N 3.34Å; I125-T129 PolarHBondContact O-N 2.94Å; I125-T129 PolarHBondContact O-OG1 3.42Å; I125-T129 VanDerWaalsContact O-OG1 3.06Å; I125-A313 HydrophobicContact CG2-CB 4.01Å; I125-E316 HydrophobicContact CD1-CB 4.22Å; I125-E316 HydrophobicContact CD1-CG 3.94Å; I125-A317 HydrophobicContact CD1-CB 4.18Å; I125-M320 HydrophobicContact CD1-SD 4.1Å
126	M	90.6	Very high	89.9	Confident	39 Å²	39	42.1 Å²	42.1	19%	0.192	20%	0.196	C	C	.	.	H	α-helix	trans	-60.6	-41.3	178.3	-72	-62.7	-45.1	0	0	112.9	Q122 R123 W124 K128 T129 E130 M308 E310 A313	Q122-M126 WeakPolarHBondContact O-CG 3.47Å; Q122-M126 PolarHBondContact O-N 3.43Å; R123-M126 PolarHBondContact O-N 3.04Å; W124-M126 VanDerWaalsContact C-N 3.34Å; W124-M126 PolarHBondContact O-N 2.99Å; M126-K128 VanDerWaalsContact C-N 3.34Å; M126-T129 PolarHBondContact O-N 3.34Å; M126-E130 PolarHBondContact O-N 3.23Å; M126-M308 HydrophobicContact CE-CB 4.42Å; M126-M308 HydrophobicContact CE-SD 3.56Å; M126-M308 VanDerWaalsContact CE-SD 3.56Å; M126-E310 HydrophobicContact SD-CG 4.46Å; M126-A313 HydrophobicContact CG-CB 3.98Å; M126-A313 HydrophobicContact SD-CB 3.79Å
127	E	90.7	Very high	89.6	Confident	90 Å²	90	43.7 Å²	43.7	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-65.1	-39.2	177.3	-173.8	168.2	180	0	0	111.2	R123 W124 I125 E130 E131	R123-E127 WeakPolarHBondContact O-CB 3.25Å; R123-E127 PolarHBondContact O-N 2.73Å; W124-E127 PolarHBondContact O-N 2.83Å; I125-E127 VanDerWaalsContact C-N 3.34Å; I125-E127 PolarHBondContact O-N 3.36Å; E127-E130 PolarHBondContact O-N 3.24Å; E127-E131 WeakPolarHBondContact O-CG 3.3Å; E127-E131 PolarHBondContact O-N 2.57Å
128	K	88.2	Confident	89.3	Confident	13 Å²	13	48.1 Å²	48.1	6%	0.057	22%	0.218	C	C	.	.	H	α-helix	trans	-68.9	-41	175.9	-71.6	-61.2	177.5	-170.3	0	113.6	W124 I125 M126 E130 E131 H132	W124-K128 HydrophobicContact CD2-CG 4.21Å; W124-K128 HydrophobicContact CH2-CD 4.49Å; W124-K128 HydrophobicContact CZ2-CD 4.15Å; W124-K128 HydrophobicContact CZ2-CG 4.16Å; W124-K128 WeakPolarHBondContact O-CG 3.47Å; W124-K128 PolarHBondContact O-N 3.08Å; I125-K128 PolarHBondContact O-N 3.34Å; M126-K128 VanDerWaalsContact C-N 3.34Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 3.4Å; K128-E131 WeakPolarHBondContact CD-OE2 3.36Å; K128-E131 IonicContact NZ-OE2 2.99Å; K128-E131 PolarHBondContact NZ-OE2 3.44Å; K128-E131 PolarHBondContact O-N 3.18Å; K128-H132 PolarHBondContact O-N 2.74Å
129	T	86.8	Confident	88.9	Confident	8 Å²	8	51.8 Å²	51.8	5%	0.049	23%	0.231	C	C	.	.	H	α-helix	trans	-59.3	-45.4	172.6	-57.1	0	0	0	0	110.9	I125 M126 H132 F133 P307 M308	I125-T129 PolarHBondContact O-N 2.94Å; I125-T129 PolarHBondContact O-OG1 3.42Å; I125-T129 VanDerWaalsContact O-OG1 3.06Å; M126-T129 PolarHBondContact O-N 3.34Å; T129-H132 WeakPolarHBondContact O-CB 3.34Å; T129-H132 PolarHBondContact O-N 2.61Å; T129-F133 HydrophobicContact CG2-CD1 4.25Å; T129-F133 HydrophobicContact CG2-CE1 3.94Å; T129-F133 HydrophobicContact CG2-CZ 4.27Å; T129-F133 VanDerWaalsContact O-CD1 3.27Å; T129-F133 WeakPolarHBondContact O-CD1 3.16Å; T129-F133 PolarHBondContact O-N 3.2Å; T129-P307 HydrophobicContact CG2-CB 3.85Å; T129-P307 HydrophobicContact CG2-CG 4.42Å; T129-M308 HydrophobicContact CG2-CE 4.08Å; T129-M308 HydrophobicContact CG2-SD 4.03Å
130	E	88.1	Confident	88.6	Confident	82 Å²	82	44.3 Å²	44.3	38%	0.383	20%	0.199	S	C	.	.	H	α-helix	trans	-64.8	-42.1	177.1	-178.1	63.7	-148	0	0	112.3	M126 E127 K128 H132 F133 Q134 M308	M126-E130 PolarHBondContact O-N 3.23Å; E127-E130 PolarHBondContact O-N 3.24Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 3.4Å; E130-H132 VanDerWaalsContact C-N 3.26Å; E130-H132 PolarHBondContact O-N 3.14Å; E130-F133 PolarHBondContact O-N 2.89Å; E130-Q134 WeakPolarHBondContact O-CG 3.39Å; E130-Q134 PolarHBondContact O-N 2.68Å; E130-Q134 PolarHBondContact OE1-NE2 3.33Å; E130-M308 HydrophobicContact CB-CE 4.06Å; E130-M308 WeakPolarHBondContact OE2-CE 3.46Å
131	E	87.2	Confident	88.2	Confident	71 Å²	71	48.8 Å²	48.8	33%	0.332	22%	0.218	S	C	.	.	H	α-helix	trans	-58.6	-38.7	174.9	-79.2	-177.9	172.9	0	0	112.4	E127 K128 E135	E127-E131 WeakPolarHBondContact O-CG 3.3Å; E127-E131 PolarHBondContact O-N 2.57Å; K128-E131 WeakPolarHBondContact CD-OE2 3.36Å; K128-E131 IonicContact NZ-OE2 2.99Å; K128-E131 PolarHBondContact NZ-OE2 3.44Å; K128-E131 PolarHBondContact O-N 3.18Å; E131-E135 PolarHBondContact O-N 3.19Å
132	H	84.1	Confident	87.9	Confident	33 Å²	33	55.7 Å²	55.7	15%	0.153	25%	0.252	C	S	.	.	H	α-helix	trans	-66.6	-43.9	175	-179.3	58.7	0	0	0	111.3	N61 K128 T129 E130 Q134 E135 A136 E226	N61-H132 WeakPolarHBondContact CB-NE2 3.46Å; N61-H132 PolarHBondContact ND2-CE1 3.06Å; N61-H132 VanDerWaalsContact ND2-CE1 3.26Å; K128-H132 PolarHBondContact O-N 2.74Å; T129-H132 WeakPolarHBondContact O-CB 3.34Å; T129-H132 PolarHBondContact O-N 2.61Å; E130-H132 VanDerWaalsContact C-N 3.26Å; E130-H132 PolarHBondContact O-N 3.14Å; H132-Q134 PolarHBondContact O-N 3.48Å; H132-E135 WeakPolarHBondContact O-CA 3.37Å; H132-E135 WeakPolarHBondContact O-CB 3.44Å; H132-E135 PolarHBondContact O-N 2.98Å; H132-A136 PolarHBondContact O-N 3.28Å; H132-E226 IonicContact NE2-OE1 3.21Å
133	F	85.6	Confident	87.5	Confident	15 Å²	15	54.8 Å²	54.8	7%	0.066	25%	0.25	C	C	.	.	H	α-helix	trans	-62.1	-43.5	178.4	-80.5	23.9	0	0	0	112	T129 E130 E135 A136 V137 E226 H227 P307 M308	T129-F133 HydrophobicContact CG2-CD1 4.25Å; T129-F133 HydrophobicContact CG2-CE1 3.94Å; T129-F133 HydrophobicContact CG2-CZ 4.27Å; T129-F133 VanDerWaalsContact O-CD1 3.27Å; T129-F133 WeakPolarHBondContact O-CD1 3.16Å; T129-F133 PolarHBondContact O-N 3.2Å; E130-F133 PolarHBondContact O-N 2.89Å; F133-E135 PolarHBondContact O-N 3.4Å; F133-A136 WeakPolarHBondContact O-CB 3.03Å; F133-A136 PolarHBondContact O-N 2.99Å; F133-V137 VanDerWaalsContact O-CG2 3.32Å; F133-V137 WeakPolarHBondContact O-CG2 3.23Å; F133-V137 PolarHBondContact O-N 3.48Å; F133-E226 HydrophobicContact CD1-CG 4.45Å; F133-E226 HydrophobicContact CE1-CB 4.2Å; F133-E226 HydrophobicContact CE1-CG 3.66Å; F133-E226 HydrophobicContact CZ-CB 4.21Å; F133-E226 HydrophobicContact CZ-CG 4.08Å; F133-E226 WeakPolarHBondContact CZ-O 3.43Å; F133-H227 AromaticContact CD2-CD2 3.91Å; F133-P307 HydrophobicContact CE1-CG 4.05Å; F133-P307 HydrophobicContact CE2-CG 4.37Å; F133-P307 HydrophobicContact CZ-CB 4.38Å; F133-P307 HydrophobicContact CZ-CG 3.42Å; F133-P307 VanDerWaalsContact CZ-CG 3.42Å; F133-M308 HydrophobicContact CD2-CE 3.44Å; F133-M308 VanDerWaalsContact CD2-CE 3.44Å; F133-M308 HydrophobicContact CE2-CE 3.74Å; F133-M308 HydrophobicContact CE2-CG 3.96Å; F133-M308 HydrophobicContact CG-CE 4.02Å
134	Q	87.9	Confident	87.2	Confident	96 Å²	96	49.8 Å²	49.8	45%	0.449	23%	0.231	S	C	.	.	H	α-helix	trans	-66.5	-23.5	176.9	-66.5	-60	-28.4	0	0	112.9	E130 H132 R138	E130-Q134 WeakPolarHBondContact O-CG 3.39Å; E130-Q134 PolarHBondContact O-N 2.68Å; E130-Q134 PolarHBondContact OE1-NE2 3.33Å; H132-Q134 PolarHBondContact O-N 3.48Å; Q134-R138 PolarHBondContact O-N 3.41Å; Q134-R138 PolarHBondContact O-NH2 3Å; Q134-R138 VanDerWaalsContact O-NH2 3.07Å
135	E	85	Confident	86.9	Confident	37 Å²	37	56 Å²	56	17%	0.173	26%	0.261	C	S	.	.	H	α-helix	trans	-75.5	-50.6	171.4	179.1	143.9	-89.4	0	0	112.9	K83 E131 H132 F133 V137 R138 E139	K83-E135 WeakPolarHBondContact CD-OE2 3.46Å; K83-E135 WeakPolarHBondContact CE-OE2 3.41Å; K83-E135 WeakPolarHBondContact CG-OE2 3.34Å; K83-E135 IonicContact NZ-OE1 3.89Å; K83-E135 PolarHBondContact NZ-OE1 2.67Å; K83-E135 IonicContact NZ-OE2 3.79Å; K83-E135 PolarHBondContact NZ-OE2 3.38Å; E131-E135 PolarHBondContact O-N 3.19Å; H132-E135 WeakPolarHBondContact O-CA 3.37Å; H132-E135 WeakPolarHBondContact O-CB 3.44Å; H132-E135 PolarHBondContact O-N 2.98Å; F133-E135 PolarHBondContact O-N 3.4Å; E135-V137 PolarHBondContact O-N 2.88Å; E135-R138 CarbonylContact O-C 3.6Å; E135-R138 WeakPolarHBondContact O-CA 3.36Å; E135-R138 WeakPolarHBondContact O-CB 3.28Å; E135-R138 PolarHBondContact O-N 2.99Å; E135-R138 IonicContact OE1-NH1 2.76Å; E135-R138 PolarHBondContact OE1-NH1 3.36Å; E135-R138 VanDerWaalsContact OE1-NH1 3.09Å; E135-E139 HydrophobicContact CG-CG 4.2Å; E135-E139 WeakPolarHBondContact CG-OE1 3.32Å; E135-E139 PolarHBondContact O-N 2.92Å
136	A	84.1	Confident	86.7	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-48.8	-46	173.2	0	0	0	0	0	111.4	H132 F133 R138 E139 N140 L220 H224	H132-A136 PolarHBondContact O-N 3.28Å; F133-A136 WeakPolarHBondContact O-CB 3.03Å; F133-A136 PolarHBondContact O-N 2.99Å; A136-R138 VanDerWaalsContact C-N 3.31Å; A136-R138 PolarHBondContact O-N 2.75Å; A136-E139 PolarHBondContact O-N 3.35Å; A136-N140 WeakPolarHBondContact O-CB 3.37Å; A136-N140 PolarHBondContact O-N 2.96Å; A136-L220 HydrophobicContact CB-CD1 4.44Å; A136-H224 HydrophobicContact CB-CB 4.22Å
137	V	87.5	Confident	86.4	Confident	32 Å²	32	55.5 Å²	55.5	19%	0.194	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-38.2	175.8	173.1	0	0	0	0	112.8	F133 E135 K141 L220	F133-V137 VanDerWaalsContact O-CG2 3.32Å; F133-V137 WeakPolarHBondContact O-CG2 3.23Å; F133-V137 PolarHBondContact O-N 3.48Å; E135-V137 PolarHBondContact O-N 2.88Å; V137-K141 WeakPolarHBondContact O-CG 3.39Å; V137-K141 PolarHBondContact O-N 3.04Å; V137-L220 HydrophobicContact CG2-CD1 4.4Å; V137-L220 HydrophobicContact CG2-CD2 3.72Å
138	R	87.2	Confident	86.3	Confident	122 Å²	122	51.7 Å²	51.7	46%	0.46	25%	0.246	S	C	.	.	H	α-helix	trans	-76.3	-41.4	-177.6	-167.9	-167.8	-40.8	97.6	14.2	111.7	Q134 E135 A136 K141	Q134-R138 PolarHBondContact O-N 3.41Å; Q134-R138 PolarHBondContact O-NH2 3Å; Q134-R138 VanDerWaalsContact O-NH2 3.07Å; E135-R138 CarbonylContact O-C 3.6Å; E135-R138 WeakPolarHBondContact O-CA 3.36Å; E135-R138 WeakPolarHBondContact O-CB 3.28Å; E135-R138 PolarHBondContact O-N 2.99Å; E135-R138 IonicContact OE1-NH1 2.76Å; E135-R138 PolarHBondContact OE1-NH1 3.36Å; E135-R138 VanDerWaalsContact OE1-NH1 3.09Å; A136-R138 VanDerWaalsContact C-N 3.31Å; A136-R138 PolarHBondContact O-N 2.75Å; R138-K141 PolarHBondContact O-N 2.88Å
139	E	84.4	Confident	86.1	Confident	98 Å²	98	55.2 Å²	55.2	46%	0.458	27%	0.27	S	S	.	.	H	α-helix	trans	-66.9	-43.1	175.8	-70.7	176.1	-177.8	0	0	110.3	E135 A136 K141 M142 S143	E135-E139 HydrophobicContact CG-CG 4.2Å; E135-E139 WeakPolarHBondContact CG-OE1 3.32Å; E135-E139 PolarHBondContact O-N 2.92Å; A136-E139 PolarHBondContact O-N 3.35Å; E139-K141 VanDerWaalsContact C-N 3.25Å; E139-K141 PolarHBondContact O-N 3.07Å; E139-M142 WeakPolarHBondContact O-CB 3.48Å; E139-M142 PolarHBondContact O-N 3.16Å; E139-S143 PolarHBondContact O-N 2.83Å; E139-S143 PolarHBondContact O-OG 2.84Å
140	N	86.8	Confident	86	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.011	29%	0.293	C	S	.	.	H	α-helix	trans	-53.7	-40.8	174.2	-176.9	72.5	0	0	0	112.3	A136 M142 S143 F144 E216 F219 L220	A136-N140 WeakPolarHBondContact O-CB 3.37Å; A136-N140 PolarHBondContact O-N 2.96Å; N140-M142 VanDerWaalsContact C-N 3.3Å; N140-M142 PolarHBondContact O-N 2.78Å; N140-S143 PolarHBondContact O-N 2.88Å; N140-F144 WeakPolarHBondContact O-CA 3.47Å; N140-F144 WeakPolarHBondContact O-CB 3.47Å; N140-F144 PolarHBondContact O-N 2.92Å; N140-E216 PolarHBondContact ND2-O 2.97Å; N140-E216 VanDerWaalsContact ND2-O 3.08Å; N140-F219 WeakPolarHBondContact OD1-CD1 3.39Å; N140-L220 HydrophobicContact CB-CB 4.48Å; N140-L220 HydrophobicContact CB-CD1 3.61Å; N140-L220 VanDerWaalsContact OD1-CA 3.3Å; N140-L220 WeakPolarHBondContact OD1-CA 3.27Å; N140-L220 PolarHBondContact OD1-N 3.45Å
141	K	87.3	Confident	85.9	Confident	113 Å²	113	58.2 Å²	58.2	49%	0.491	30%	0.301	S	S	.	.	H	α-helix	trans	-59.2	-40.8	176.1	-79.9	172.2	-179.4	178.6	0	113.3	V137 R138 E139 H145 E216	V137-K141 WeakPolarHBondContact O-CG 3.39Å; V137-K141 PolarHBondContact O-N 3.04Å; R138-K141 PolarHBondContact O-N 2.88Å; E139-K141 VanDerWaalsContact C-N 3.25Å; E139-K141 PolarHBondContact O-N 3.07Å; K141-H145 PolarHBondContact O-N 3.21Å; K141-E216 WeakPolarHBondContact CE-OE1 3.48Å; K141-E216 WeakPolarHBondContact CG-OE1 3.32Å
142	M	85.5	Confident	85.9	Confident	145 Å²	145	58.7 Å²	58.7	71%	0.714	31%	0.306	S	S	*	.	H	α-helix	trans	-71.3	-44.5	179.1	-62.9	-60.8	-61	0	0	110.5	E139 N140 A146	E139-M142 WeakPolarHBondContact O-CB 3.48Å; E139-M142 PolarHBondContact O-N 3.16Å; N140-M142 VanDerWaalsContact C-N 3.3Å; N140-M142 PolarHBondContact O-N 2.78Å; M142-A146 PolarHBondContact O-N 2.77Å; M142-A146 VanDerWaalsContact O-N 3.1Å
143	S	84.5	Confident	86.1	Confident	15 Å²	15	58.8 Å²	58.8	11%	0.105	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-45.2	177.4	-64	0	0	0	0	112	E139 N140 H145 A146 V147	E139-S143 PolarHBondContact O-N 2.83Å; E139-S143 PolarHBondContact O-OG 2.84Å; N140-S143 PolarHBondContact O-N 2.88Å; S143-H145 PolarHBondContact O-N 3.22Å; S143-A146 WeakPolarHBondContact O-CA 3.27Å; S143-A146 WeakPolarHBondContact O-CB 3.27Å; S143-A146 PolarHBondContact O-N 2.65Å; S143-V147 WeakPolarHBondContact O-CG2 3.47Å; S143-V147 PolarHBondContact O-N 3.2Å
144	F	87.4	Confident	86.4	Confident	17 Å²	17	61.4 Å²	61.4	8%	0.075	33%	0.328	C	S	.	.	H	α-helix	trans	-56	-50.7	176.9	-173.2	-91.2	0	0	0	110.9	N140 A146 V147 D148 G153 V155 E216 F219	N140-F144 WeakPolarHBondContact O-CA 3.47Å; N140-F144 WeakPolarHBondContact O-CB 3.47Å; N140-F144 PolarHBondContact O-N 2.92Å; F144-A146 PolarHBondContact O-N 3.19Å; F144-V147 VanDerWaalsContact O-CG2 3.29Å; F144-V147 WeakPolarHBondContact O-CG2 3.32Å; F144-V147 PolarHBondContact O-N 3.05Å; F144-V147 VanDerWaalsContact O-N 3.08Å; F144-D148 HydrophobicContact CD1-CB 4.5Å; F144-D148 HydrophobicContact CE1-CB 4.23Å; F144-D148 WeakPolarHBondContact O-CB 3.35Å; F144-D148 PolarHBondContact O-N 2.94Å; F144-G153 WeakPolarHBondContact CZ-O 3.39Å; F144-V155 HydrophobicContact CD2-CG2 3.8Å; F144-V155 HydrophobicContact CE2-CG2 3.44Å; F144-V155 VanDerWaalsContact CE2-CG2 3.44Å; F144-V155 HydrophobicContact CZ-CG2 3.9Å; F144-E216 HydrophobicContact CD2-CB 4.31Å; F144-E216 HydrophobicContact CD2-CG 4.49Å; F144-E216 HydrophobicContact CE1-CB 4.49Å; F144-E216 HydrophobicContact CE2-CB 4.21Å; F144-E216 HydrophobicContact CG-CB 4.47Å; F144-E216 HydrophobicContact CG-CG 4.32Å; F144-E216 HydrophobicContact CZ-CB 4.32Å; F144-F219 HydrophobicContact CB-CD1 4Å; F144-F219 HydrophobicContact CB-CE1 4.33Å; F144-F219 HydrophobicContact CD2-CB 3.71Å; F144-F219 AromaticContact CD2-CD1 3.68Å; F144-F219 HydrophobicContact CD2-CD1 3.68Å; F144-F219 AromaticContact CD2-CG 3.82Å; F144-F219 HydrophobicContact CD2-CG 3.82Å; F144-F219 HydrophobicContact CE2-CB 4.02Å; F144-F219 HydrophobicContact CE2-CG 4.45Å; F144-F219 HydrophobicContact CG-CD1 4.36Å
145	H	86.3	Confident	86.5	Confident	142 Å²	142	56.8 Å²	56.8	66%	0.657	31%	0.307	S	S	*	.	H	α-helix	trans	-64.9	-26.7	177.3	-169.1	51.8	0	0	0	113.3	K141 S143	K141-H145 PolarHBondContact O-N 3.21Å; S143-H145 PolarHBondContact O-N 3.22Å
146	A	84.6	Confident	86.8	Confident	34 Å²	34	57 Å²	57	28%	0.281	31%	0.311	S	S	.	.	H	α-helix	trans	-74.8	-29.5	175.1	0	0	0	0	0	112.6	M142 S143 F144 K163	M142-A146 PolarHBondContact O-N 2.77Å; M142-A146 VanDerWaalsContact O-N 3.1Å; S143-A146 WeakPolarHBondContact O-CA 3.27Å; S143-A146 WeakPolarHBondContact O-CB 3.27Å; S143-A146 PolarHBondContact O-N 2.65Å; F144-A146 PolarHBondContact O-N 3.19Å; A146-K163 WeakPolarHBondContact O-CE 2.98Å; A146-K163 PolarHBondContact O-NZ 3.27Å
147	V	84.5	Confident	87.1	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-96.4	-11.3	-179.9	-58.4	0	0	0	0	114.5	I54 S143 F144 P149 V155 K163 F219	I54-V147 HydrophobicContact CD1-CG1 4.21Å; I54-V147 HydrophobicContact CG1-CG1 4.37Å; I54-V147 HydrophobicContact CG2-CG1 3.9Å; S143-V147 WeakPolarHBondContact O-CG2 3.47Å; S143-V147 PolarHBondContact O-N 3.2Å; F144-V147 VanDerWaalsContact O-CG2 3.29Å; F144-V147 WeakPolarHBondContact O-CG2 3.32Å; F144-V147 PolarHBondContact O-N 3.05Å; F144-V147 VanDerWaalsContact O-N 3.08Å; V147-P149 WeakPolarHBondContact O-CD 3.43Å; V147-V155 HydrophobicContact CB-CG1 4.1Å; V147-V155 HydrophobicContact CG2-CB 4.37Å; V147-V155 HydrophobicContact CG2-CG1 3.78Å; V147-V155 HydrophobicContact CG2-CG2 3.62Å; V147-K163 HydrophobicContact CB-CG 4.45Å; V147-K163 HydrophobicContact CG1-CB 4.13Å; V147-K163 HydrophobicContact CG1-CG 4.12Å; V147-F219 HydrophobicContact CG1-CZ 4.4Å; V147-F219 HydrophobicContact CG2-CE1 4.02Å; V147-F219 HydrophobicContact CG2-CE2 4.03Å; V147-F219 HydrophobicContact CG2-CZ 3.66Å
148	D	88.8	Confident	87.1	Confident	9 Å²	9	60.7 Å²	60.7	5%	0.048	33%	0.326	C	S	.	.			trans	-103.1	79	171.4	177.4	9.4	0	0	0	110.4	F144 G151 D152 G153 V155	F144-D148 HydrophobicContact CD1-CB 4.5Å; F144-D148 HydrophobicContact CE1-CB 4.23Å; F144-D148 WeakPolarHBondContact O-CB 3.35Å; F144-D148 PolarHBondContact O-N 2.94Å; D148-G151 VanDerWaalsContact OD1-CA 3.22Å; D148-G151 WeakPolarHBondContact OD1-CA 3.38Å; D148-G151 PolarHBondContact OD1-N 3.37Å; D148-G151 WeakPolarHBondContact OD2-CA 3.41Å; D148-D152 PolarHBondContact OD1-N 3.1Å; D148-G153 PolarHBondContact OD2-N 3.3Å; D148-G153 VanDerWaalsContact OD2-N 3.12Å; D148-V155 HydrophobicContact CB-CG2 4.19Å
149	P	83.4	Confident	87.2	Confident	87 Å²	87	56.4 Å²	56.4	57%	0.565	31%	0.312	S	S	*	.	S	Bend	trans	-75.5	-23.5	-178.1	31.6	-36.9	0	0	0	113.6	V147 E159	V147-P149 WeakPolarHBondContact O-CD 3.43Å; P149-E159 HydrophobicContact CG-CG 4.46Å
150	D	84.9	Confident	87.4	Confident	100 Å²	100	51.8 Å²	51.8	54%	0.535	29%	0.29	S	S	.	.	S	Bend	trans	-88.5	-15.3	-179.4	76.2	-1	0	0	0	112.6	D152	D150-D152 VanDerWaalsContact C-N 3.31Å; D150-D152 WeakPolarHBondContact OD1-CB 3.27Å; D150-D152 PolarHBondContact OD1-N 2.84Å; D150-D152 VanDerWaalsContact OD1-N 3.13Å
151	G	86.3	Confident	87.4	Confident	54 Å²	54	54.4 Å²	54.4	56%	0.557	30%	0.3	S	S	*	.			trans	71.8	26.9	172.5	0	0	0	0	0	112.2	D148 G153	D148-G151 VanDerWaalsContact OD1-CA 3.22Å; D148-G151 WeakPolarHBondContact OD1-CA 3.38Å; D148-G151 PolarHBondContact OD1-N 3.37Å; D148-G151 WeakPolarHBondContact OD2-CA 3.41Å; G151-G153 PolarHBondContact O-N 3.11Å
152	D	88.3	Confident	87.3	Confident	81 Å²	81	49.7 Å²	49.7	43%	0.433	28%	0.281	S	S	.	.	S	Bend	trans	-79.7	-5	-179.6	88.1	-3.8	0	0	0	113	D148 D150 H154	D148-D152 PolarHBondContact OD1-N 3.1Å; D150-D152 VanDerWaalsContact C-N 3.31Å; D150-D152 WeakPolarHBondContact OD1-CB 3.27Å; D150-D152 PolarHBondContact OD1-N 2.84Å; D150-D152 VanDerWaalsContact OD1-N 3.13Å; D152-H154 VanDerWaalsContact C-N 3.3Å; D152-H154 PolarHBondContact O-ND1 3.45Å; D152-H154 WeakPolarHBondContact OD1-CA 3.22Å; D152-H154 WeakPolarHBondContact OD1-CB 3.42Å; D152-H154 PolarHBondContact OD1-N 3.1Å; D152-H154 IonicContact OD1-ND1 2.84Å
153	G	87.9	Confident	87.3	Confident	34 Å²	34	44.9 Å²	44.9	35%	0.351	26%	0.255	S	S	.	.	S	Bend	trans	81	10.2	178	0	0	0	0	0	113.8	F144 D148 G151	F144-G153 WeakPolarHBondContact CZ-O 3.39Å; D148-G153 PolarHBondContact OD2-N 3.3Å; D148-G153 VanDerWaalsContact OD2-N 3.12Å; G151-G153 PolarHBondContact O-N 3.11Å
154	H	90.8	Very high	87.3	Confident	70 Å²	70	44.2 Å²	44.2	32%	0.324	25%	0.251	S	S	.	.			trans	-133.3	153.1	173.2	-50.9	76.6	0	0	0	109	D152 L213 L214	D152-H154 VanDerWaalsContact C-N 3.3Å; D152-H154 PolarHBondContact O-ND1 3.45Å; D152-H154 WeakPolarHBondContact OD1-CA 3.22Å; D152-H154 WeakPolarHBondContact OD1-CB 3.42Å; D152-H154 PolarHBondContact OD1-N 3.1Å; D152-H154 IonicContact OD1-ND1 2.84Å; H154-L213 HydrophobicContact CB-CB 4.01Å; H154-L213 HydrophobicContact CB-CD1 4.43Å; H154-L214 WeakPolarHBondContact CA-O 3.46Å
155	V	90.9	Very high	87.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	131.7	175.3	-171.5	0	0	0	0	107.6	F144 V147 D148 E159 W202 L214	F144-V155 HydrophobicContact CD2-CG2 3.8Å; F144-V155 HydrophobicContact CE2-CG2 3.44Å; F144-V155 VanDerWaalsContact CE2-CG2 3.44Å; F144-V155 HydrophobicContact CZ-CG2 3.9Å; V147-V155 HydrophobicContact CB-CG1 4.1Å; V147-V155 HydrophobicContact CG2-CB 4.37Å; V147-V155 HydrophobicContact CG2-CG1 3.78Å; V147-V155 HydrophobicContact CG2-CG2 3.62Å; D148-V155 HydrophobicContact CB-CG2 4.19Å; V155-E159 HydrophobicContact CG1-CB 4.32Å; V155-W202 HydrophobicContact CB-CH2 3.96Å; V155-W202 HydrophobicContact CG1-CH2 3.73Å; V155-W202 WeakPolarHBondContact O-CZ2 3.45Å; V155-L214 PolarHBondContact N-O 3.44Å; V155-L214 PolarHBondContact O-N 3.14Å
156	T	91.3	Very high	87	Confident	42 Å²	42	38.1 Å²	38.1	26%	0.258	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	154.2	170.5	64.6	0	0	0	0	111.2	D158 E159 Y160 L213	T156-D158 PolarHBondContact O-N 2.71Å; T156-E159 WeakPolarHBondContact CB-OE2 3.42Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.39Å; T156-E159 PolarHBondContact N-OE2 2.75Å; T156-E159 PolarHBondContact O-N 3.42Å; T156-E159 VanDerWaalsContact O-N 3.16Å; T156-E159 WeakPolarHBondContact OG1-CG 3.48Å; T156-E159 PolarHBondContact OG1-N 2.98Å; T156-E159 PolarHBondContact OG1-OE2 2.88Å; T156-Y160 PolarHBondContact O-N 3.32Å; T156-Y160 VanDerWaalsContact O-N 3.1Å; T156-L213 HydrophobicContact CG2-CD2 3.57Å
157	W	90.1	Very high	86.7	Confident	35 Å²	35	38.9 Å²	38.9	13%	0.133	23%	0.231	C	C	.	.	H	α-helix	trans	-55.6	-34.7	173.8	176.8	-105.2	0	0	0	112.8	Y160 R161 L195 L198 K199 W202	W157-Y160 HydrophobicContact CE3-CD1 4.21Å; W157-Y160 HydrophobicContact CH2-CD1 4.32Å; W157-Y160 HydrophobicContact CH2-CE1 4.44Å; W157-Y160 AromaticContact CZ3-CD1 3.82Å; W157-Y160 HydrophobicContact CZ3-CD1 3.82Å; W157-Y160 HydrophobicContact CZ3-CE1 4.14Å; W157-R161 WeakPolarHBondContact O-CB 3.32Å; W157-R161 PolarHBondContact O-N 2.8Å; W157-L195 HydrophobicContact CH2-CD2 4.49Å; W157-L195 WeakPolarHBondContact CH2-O 3.39Å; W157-L195 HydrophobicContact CZ2-CD2 4.17Å; W157-L195 WeakPolarHBondContact CZ2-O 3.35Å; W157-L198 HydrophobicContact CH2-CB 3.72Å; W157-L198 HydrophobicContact CZ3-CB 4.23Å; W157-K199 HydrophobicContact CD2-CB 4.49Å; W157-K199 HydrophobicContact CD2-CG 4.09Å; W157-K199 HydrophobicContact CE3-CG 4.46Å; W157-K199 HydrophobicContact CH2-CB 3.65Å; W157-K199 HydrophobicContact CH2-CG 4.29Å; W157-K199 HydrophobicContact CZ2-CB 3.5Å; W157-K199 HydrophobicContact CZ2-CD 4.37Å; W157-K199 HydrophobicContact CZ2-CG 3.89Å; W157-K199 HydrophobicContact CZ3-CB 4.2Å; W157-W202 HydrophobicContact CB-CZ2 4.5Å; W157-W202 HydrophobicContact CE3-CB 3.86Å; W157-W202 AromaticContact CE3-CD2 3.56Å; W157-W202 HydrophobicContact CE3-CD2 3.56Å; W157-W202 AromaticContact CE3-CE3 3.64Å; W157-W202 HydrophobicContact CE3-CE3 3.64Å; W157-W202 AromaticContact CE3-CG 3.68Å; W157-W202 HydrophobicContact CE3-CG 3.68Å; W157-W202 HydrophobicContact CE3-CZ3 4.37Å; W157-W202 HydrophobicContact CZ3-CB 3.9Å; W157-W202 HydrophobicContact CZ3-CD2 4.15Å; W157-W202 AromaticContact CZ3-CE3 3.93Å; W157-W202 HydrophobicContact CZ3-CE3 3.93Å; W157-W202 HydrophobicContact CZ3-CG 4.19Å
158	D	88.6	Confident	86.3	Confident	74 Å²	74	43.9 Å²	43.9	40%	0.396	25%	0.253	S	S	.	.	H	α-helix	trans	-70.6	-38.8	179.9	-79	-30.9	0	0	0	112.4	T156 R161 V162 I179	T156-D158 PolarHBondContact O-N 2.71Å; D158-R161 PolarHBondContact O-N 3.38Å; D158-R161 IonicContact OD1-CZ 3.59Å; D158-R161 IonicContact OD1-NE 3.53Å; D158-R161 IonicContact OD1-NH2 2.91Å; D158-R161 PolarHBondContact OD1-NH2 2.93Å; D158-V162 VanDerWaalsContact O-CG2 3.28Å; D158-V162 WeakPolarHBondContact O-CG2 3.45Å; D158-V162 PolarHBondContact O-N 3.49Å; D158-I179 HydrophobicContact CB-CG2 3.99Å; D158-I179 WeakPolarHBondContact OD1-CG2 3.47Å
159	E	88.1	Confident	85.7	Confident	33 Å²	33	46.7 Å²	46.7	15%	0.154	28%	0.284	C	S	.	.	H	α-helix	trans	-64.9	-47.1	174.9	-73.6	163.2	143.1	0	0	111.6	P149 V155 T156 R161 V162 K163	P149-E159 HydrophobicContact CG-CG 4.46Å; V155-E159 HydrophobicContact CG1-CB 4.32Å; T156-E159 WeakPolarHBondContact CB-OE2 3.42Å; T156-E159 WeakPolarHBondContact CG2-OE2 3.39Å; T156-E159 PolarHBondContact N-OE2 2.75Å; T156-E159 PolarHBondContact O-N 3.42Å; T156-E159 VanDerWaalsContact O-N 3.16Å; T156-E159 WeakPolarHBondContact OG1-CG 3.48Å; T156-E159 PolarHBondContact OG1-N 2.98Å; T156-E159 PolarHBondContact OG1-OE2 2.88Å; E159-R161 VanDerWaalsContact C-N 3.34Å; E159-R161 PolarHBondContact O-N 3.12Å; E159-V162 PolarHBondContact O-N 3.05Å; E159-K163 WeakPolarHBondContact O-CG 3.42Å; E159-K163 PolarHBondContact O-N 3.42Å; E159-K163 VanDerWaalsContact O-N 3.1Å
160	Y	88.4	Confident	85.5	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.1	-47.3	174.6	178.3	-95.4	0	0	0	111.3	I54 T156 W157 V162 K163 F164 L198 W202 F219 F222	I54-Y160 HydrophobicContact CG2-CD2 3.77Å; I54-Y160 HydrophobicContact CG2-CE2 3.23Å; I54-Y160 VanDerWaalsContact O-CE2 3.25Å; I54-Y160 WeakPolarHBondContact O-CE2 3.28Å; I54-Y160 PolarHBondContact O-OH 2.92Å; T156-Y160 PolarHBondContact O-N 3.32Å; T156-Y160 VanDerWaalsContact O-N 3.1Å; W157-Y160 HydrophobicContact CE3-CD1 4.21Å; W157-Y160 HydrophobicContact CH2-CD1 4.32Å; W157-Y160 HydrophobicContact CH2-CE1 4.44Å; W157-Y160 AromaticContact CZ3-CD1 3.82Å; W157-Y160 HydrophobicContact CZ3-CD1 3.82Å; W157-Y160 HydrophobicContact CZ3-CE1 4.14Å; Y160-V162 VanDerWaalsContact C-N 3.35Å; Y160-V162 PolarHBondContact O-N 2.74Å; Y160-K163 PolarHBondContact O-N 2.96Å; Y160-F164 HydrophobicContact CE1-CB 4.37Å; Y160-F164 WeakPolarHBondContact O-CB 3.45Å; Y160-F164 PolarHBondContact O-N 3.32Å; Y160-L198 HydrophobicContact CE1-CD1 4.22Å; Y160-W202 HydrophobicContact CD1-CE3 4.45Å; Y160-W202 HydrophobicContact CD1-CZ3 4.21Å; Y160-W202 AromaticContact CD2-CZ3 4Å; Y160-W202 HydrophobicContact CD2-CZ3 4Å; Y160-W202 HydrophobicContact CG-CE3 4.32Å; Y160-W202 HydrophobicContact CG-CH2 4.44Å; Y160-W202 AromaticContact CG-CZ3 3.66Å; Y160-W202 HydrophobicContact CG-CZ3 3.66Å; Y160-F219 AromaticContact CD2-CE2 3.87Å; Y160-F219 HydrophobicContact CD2-CE2 3.87Å; Y160-F219 HydrophobicContact CD2-CZ 4.35Å; Y160-F219 HydrophobicContact CE2-CE2 4.13Å; Y160-F219 HydrophobicContact CE2-CZ 4.41Å; Y160-F222 HydrophobicContact CD2-CE1 4.28Å; Y160-F222 HydrophobicContact CE1-CE1 4.24Å; Y160-F222 AromaticContact CE1-CZ 3.94Å; Y160-F222 HydrophobicContact CE1-CZ 3.94Å; Y160-F222 AromaticContact CE2-CE1 3.52Å; Y160-F222 HydrophobicContact CE2-CE1 3.52Å; Y160-F222 HydrophobicContact CE2-CZ 4.07Å; Y160-F222 AromaticContact CZ-CE1 3.53Å; Y160-F222 AromaticContact CZ-CZ 3.61Å
161	R	87.1	Confident	85.3	Confident	57 Å²	57	45.3 Å²	45.3	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-41.2	178.9	-179.2	171.9	63.3	156.9	-5	112.5	W157 D158 E159 K163 F164 L165 I179 L195	W157-R161 WeakPolarHBondContact O-CB 3.32Å; W157-R161 PolarHBondContact O-N 2.8Å; D158-R161 PolarHBondContact O-N 3.38Å; D158-R161 IonicContact OD1-CZ 3.59Å; D158-R161 IonicContact OD1-NE 3.53Å; D158-R161 IonicContact OD1-NH2 2.91Å; D158-R161 PolarHBondContact OD1-NH2 2.93Å; E159-R161 VanDerWaalsContact C-N 3.34Å; E159-R161 PolarHBondContact O-N 3.12Å; R161-K163 VanDerWaalsContact C-N 3.34Å; R161-F164 PolarHBondContact O-N 2.68Å; R161-L165 HydrophobicContact CG-CD1 4.09Å; R161-L165 WeakPolarHBondContact O-CB 3.09Å; R161-L165 VanDerWaalsContact O-CG 3.31Å; R161-L165 WeakPolarHBondContact O-CG 3.13Å; R161-L165 PolarHBondContact O-N 2.88Å; R161-I179 HydrophobicContact CG-CD1 4.25Å; R161-I179 VanDerWaalsContact NH2-CG1 3.34Å; R161-L195 HydrophobicContact CG-CD2 4.09Å
162	V	85.9	Confident	84.9	Confident	15 Å²	15	46.5 Å²	46.5	9%	0.091	26%	0.26	C	S	.	.	H	α-helix	trans	-60.2	-46.2	175.8	166.3	0	0	0	0	110.6	D158 E159 Y160 L165 A166 E172 A176 I179	D158-V162 VanDerWaalsContact O-CG2 3.28Å; D158-V162 WeakPolarHBondContact O-CG2 3.45Å; D158-V162 PolarHBondContact O-N 3.49Å; E159-V162 PolarHBondContact O-N 3.05Å; Y160-V162 VanDerWaalsContact C-N 3.35Å; Y160-V162 PolarHBondContact O-N 2.74Å; V162-L165 PolarHBondContact O-N 3.18Å; V162-A166 WeakPolarHBondContact O-CB 3.42Å; V162-A166 PolarHBondContact O-N 2.85Å; V162-E172 HydrophobicContact CG1-CB 4.47Å; V162-E172 HydrophobicContact CG1-CG 3.49Å; V162-E172 VanDerWaalsContact CG1-CG 3.49Å; V162-A176 HydrophobicContact CG1-CB 4.36Å; V162-A176 HydrophobicContact CG2-CB 4.16Å; V162-I179 HydrophobicContact CG2-CD1 3.54Å
163	K	85.3	Confident	84.4	Confident	43 Å²	43	50.4 Å²	50.4	19%	0.187	27%	0.273	C	S	.	.	H	α-helix	trans	-67.6	-40.8	179.9	-68	-71	-178.3	176	0	112.7	I54 A146 V147 E159 Y160 R161 A166 S167 E172	I54-K163 HydrophobicContact CD1-CB 4.16Å; A146-K163 WeakPolarHBondContact O-CE 2.98Å; A146-K163 PolarHBondContact O-NZ 3.27Å; V147-K163 HydrophobicContact CB-CG 4.45Å; V147-K163 HydrophobicContact CG1-CB 4.13Å; V147-K163 HydrophobicContact CG1-CG 4.12Å; E159-K163 WeakPolarHBondContact O-CG 3.42Å; E159-K163 PolarHBondContact O-N 3.42Å; E159-K163 VanDerWaalsContact O-N 3.1Å; Y160-K163 PolarHBondContact O-N 2.96Å; R161-K163 VanDerWaalsContact C-N 3.34Å; K163-A166 WeakPolarHBondContact O-CB 3.18Å; K163-A166 PolarHBondContact O-N 2.96Å; K163-S167 PolarHBondContact O-N 3.14Å; K163-E172 WeakPolarHBondContact CE-OE1 3.36Å; K163-E172 IonicContact NZ-OE1 3.95Å; K163-E172 PolarHBondContact NZ-OE1 3.48Å; K163-E172 IonicContact NZ-OE2 2.66Å
164	F	84.9	Confident	84	Confident	1 Å²	1	53.3 Å²	53.3	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-45.3	174.8	172.4	-102.5	0	0	0	112.1	L55 Y160 R161 A166 S167 K168 T191 V194 L195 L198	L55-F164 HydrophobicContact CD1-CE2 3.96Å; L55-F164 HydrophobicContact CD2-CD2 3.77Å; L55-F164 HydrophobicContact CD2-CE2 3.28Å; L55-F164 HydrophobicContact CD2-CZ 4.2Å; L55-F164 HydrophobicContact CG-CD2 4.03Å; L55-F164 HydrophobicContact CG-CE2 3.66Å; Y160-F164 HydrophobicContact CE1-CB 4.37Å; Y160-F164 WeakPolarHBondContact O-CB 3.45Å; Y160-F164 PolarHBondContact O-N 3.32Å; R161-F164 PolarHBondContact O-N 2.68Å; F164-A166 VanDerWaalsContact C-N 3.3Å; F164-A166 PolarHBondContact O-N 3.29Å; F164-S167 PolarHBondContact O-N 2.66Å; F164-S167 PolarHBondContact O-OG 3.11Å; F164-K168 HydrophobicContact CE1-CG 4.49Å; F164-K168 HydrophobicContact CE2-CG 4.44Å; F164-K168 HydrophobicContact CZ-CG 4.23Å; F164-K168 PolarHBondContact O-N 3.16Å; F164-T191 HydrophobicContact CE1-CG2 3.91Å; F164-T191 HydrophobicContact CZ-CG2 4.46Å; F164-V194 HydrophobicContact CE2-CG1 4.49Å; F164-V194 HydrophobicContact CZ-CG1 3.91Å; F164-L195 HydrophobicContact CD1-CD2 3.53Å; F164-L195 HydrophobicContact CD1-CG 4.1Å; F164-L195 HydrophobicContact CE1-CD1 4.47Å; F164-L195 HydrophobicContact CE1-CD2 3.75Å; F164-L195 HydrophobicContact CE1-CG 3.83Å; F164-L195 HydrophobicContact CG-CD2 4.45Å; F164-L198 HydrophobicContact CD2-CD1 4.48Å; F164-L198 HydrophobicContact CE2-CD1 4.36Å; F164-L198 HydrophobicContact CZ-CD1 4.5Å
165	L	83.5	Confident	83.5	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-66.7	-35.7	175.4	-68	173	0	0	0	111	R161 V162 S167 K168 G169 F170 M175 L185 V187 T191 L195	R161-L165 HydrophobicContact CG-CD1 4.09Å; R161-L165 WeakPolarHBondContact O-CB 3.09Å; R161-L165 VanDerWaalsContact O-CG 3.31Å; R161-L165 WeakPolarHBondContact O-CG 3.13Å; R161-L165 PolarHBondContact O-N 2.88Å; V162-L165 PolarHBondContact O-N 3.18Å; L165-S167 VanDerWaalsContact C-N 3.33Å; L165-S167 PolarHBondContact O-N 2.92Å; L165-K168 PolarHBondContact O-N 2.99Å; L165-K168 VanDerWaalsContact O-N 3.17Å; L165-G169 PolarHBondContact O-N 3.09Å; L165-F170 HydrophobicContact CB-CB 4.13Å; L165-F170 HydrophobicContact CB-CD2 4.1Å; L165-F170 HydrophobicContact CB-CG 4.33Å; L165-F170 HydrophobicContact CD2-CD2 4.09Å; L165-F170 HydrophobicContact CD2-CE2 4.17Å; L165-F170 VanDerWaalsContact O-CB 3.29Å; L165-F170 WeakPolarHBondContact O-CB 3.13Å; L165-F170 VanDerWaalsContact O-CD2 3.25Å; L165-F170 WeakPolarHBondContact O-CD2 3.42Å; L165-F170 PolarHBondContact O-N 2.97Å; L165-M175 HydrophobicContact CB-CG 4.14Å; L165-M175 HydrophobicContact CD1-CG 4.27Å; L165-M175 HydrophobicContact CD1-SD 4.19Å; L165-L185 HydrophobicContact CD1-CD1 3.89Å; L165-V187 HydrophobicContact CD2-CG1 3.7Å; L165-T191 HydrophobicContact CD2-CG2 4.13Å; L165-L195 HydrophobicContact CD2-CD1 4.37Å
166	A	83.1	Confident	82.8	Confident	30 Å²	30	52.2 Å²	52.2	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-40.4	175.1	0	0	0	0	0	112.6	V162 K163 F164 K168 G169 F170 E172	V162-A166 WeakPolarHBondContact O-CB 3.42Å; V162-A166 PolarHBondContact O-N 2.85Å; K163-A166 WeakPolarHBondContact O-CB 3.18Å; K163-A166 PolarHBondContact O-N 2.96Å; F164-A166 VanDerWaalsContact C-N 3.3Å; F164-A166 PolarHBondContact O-N 3.29Å; A166-K168 VanDerWaalsContact C-N 3.28Å; A166-K168 PolarHBondContact O-N 3.22Å; A166-G169 PolarHBondContact O-N 2.83Å; A166-F170 WeakPolarHBondContact CA-O 3.39Å; A166-E172 HydrophobicContact CB-CB 4.11Å; A166-E172 HydrophobicContact CB-CG 4.43Å
167	S	78.8	Confident	82.2	Confident	51 Å²	51	54.8 Å²	54.8	36%	0.357	29%	0.292	S	S	.	.	H	α-helix	trans	-68.8	-24.6	176.4	71.7	0	0	0	0	113.4	K163 F164 L165 G169	K163-S167 PolarHBondContact O-N 3.14Å; F164-S167 PolarHBondContact O-N 2.66Å; F164-S167 PolarHBondContact O-OG 3.11Å; L165-S167 VanDerWaalsContact C-N 3.33Å; L165-S167 PolarHBondContact O-N 2.92Å; S167-G169 PolarHBondContact O-N 2.85Å
168	K	75.1	Confident	81.7	Confident	104 Å²	104	55.6 Å²	55.6	45%	0.452	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	1.5	170.2	-65.6	-71.1	-174.9	171.5	0	113.6	F164 L165 A166 F170	F164-K168 HydrophobicContact CE1-CG 4.49Å; F164-K168 HydrophobicContact CE2-CG 4.44Å; F164-K168 HydrophobicContact CZ-CG 4.23Å; F164-K168 PolarHBondContact O-N 3.16Å; L165-K168 PolarHBondContact O-N 2.99Å; L165-K168 VanDerWaalsContact O-N 3.17Å; A166-K168 VanDerWaalsContact C-N 3.28Å; A166-K168 PolarHBondContact O-N 3.22Å; K168-F170 HydrophobicContact CB-CD2 4.03Å; K168-F170 HydrophobicContact CB-CE2 4.14Å
169	G	76.4	Confident	81.2	Confident	68 Å²	68	53 Å²	53	70%	0.701	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	8.5	176.9	0	0	0	0	0	114.9	L165 A166 S167	L165-G169 PolarHBondContact O-N 3.09Å; A166-G169 PolarHBondContact O-N 2.83Å; S167-G169 PolarHBondContact O-N 2.85Å
170	F	78.9	Confident	80.8	Confident	66 Å²	66	59.4 Å²	59.4	29%	0.289	31%	0.309	S	S	.	.			trans	-77.9	155.1	172.1	-64.3	-91	0	0	0	111.2	L165 A166 K168 E172 M175 V187	L165-F170 HydrophobicContact CB-CB 4.13Å; L165-F170 HydrophobicContact CB-CD2 4.1Å; L165-F170 HydrophobicContact CB-CG 4.33Å; L165-F170 HydrophobicContact CD2-CD2 4.09Å; L165-F170 HydrophobicContact CD2-CE2 4.17Å; L165-F170 VanDerWaalsContact O-CB 3.29Å; L165-F170 WeakPolarHBondContact O-CB 3.13Å; L165-F170 VanDerWaalsContact O-CD2 3.25Å; L165-F170 WeakPolarHBondContact O-CD2 3.42Å; L165-F170 PolarHBondContact O-N 2.97Å; A166-F170 WeakPolarHBondContact CA-O 3.39Å; K168-F170 HydrophobicContact CB-CD2 4.03Å; K168-F170 HydrophobicContact CB-CE2 4.14Å; F170-E172 PolarHBondContact O-N 2.94Å; F170-M175 HydrophobicContact CB-CE 4.13Å; F170-M175 HydrophobicContact CB-CG 3.82Å; F170-M175 HydrophobicContact CB-SD 4.09Å; F170-M175 HydrophobicContact CD1-CE 3.98Å; F170-M175 HydrophobicContact CD1-SD 4.17Å; F170-M175 HydrophobicContact CG-CE 4.48Å; F170-M175 HydrophobicContact CG-SD 4.35Å; F170-V187 HydrophobicContact CE2-CG1 4.19Å; F170-V187 HydrophobicContact CZ-CG1 3.94Å
171	N	80.6	Confident	80.2	Confident	93 Å²	93	64.1 Å²	64.1	50%	0.497	34%	0.335	S	S	.	.			trans	-79.7	116.8	177.7	-168.9	-44.8	0	0	0	110.8	K173 E174 M175	N171-K173 VanDerWaalsContact C-N 3.3Å; N171-K173 PolarHBondContact O-N 3.16Å; N171-K173 PolarHBondContact OD1-N 2.89Å; N171-K173 VanDerWaalsContact OD1-N 3.17Å; N171-E174 HydrophobicContact CB-CB 3.98Å; N171-E174 PolarHBondContact O-N 3.48Å; N171-E174 VanDerWaalsContact O-N 3.09Å; N171-M175 WeakPolarHBondContact O-CG 3.33Å; N171-M175 PolarHBondContact O-N 2.9Å
172	E	79.4	Confident	79.7	Confident	79 Å²	79	66.8 Å²	66.8	37%	0.369	36%	0.362	S	S	.	.	H	α-helix	trans	-49.7	-45.6	-178.3	-167.4	-177.5	179.9	0	0	113.3	V162 K163 A166 F170 M175 A176	V162-E172 HydrophobicContact CG1-CB 4.47Å; V162-E172 HydrophobicContact CG1-CG 3.49Å; V162-E172 VanDerWaalsContact CG1-CG 3.49Å; K163-E172 WeakPolarHBondContact CE-OE1 3.36Å; K163-E172 IonicContact NZ-OE1 3.95Å; K163-E172 PolarHBondContact NZ-OE1 3.48Å; K163-E172 IonicContact NZ-OE2 2.66Å; A166-E172 HydrophobicContact CB-CB 4.11Å; A166-E172 HydrophobicContact CB-CG 4.43Å; F170-E172 PolarHBondContact O-N 2.94Å; E172-M175 PolarHBondContact O-N 3.13Å; E172-A176 WeakPolarHBondContact O-CB 3.4Å; E172-A176 PolarHBondContact O-N 2.89Å
173	K	77.8	Confident	79	Confident	162 Å²	162	71.2 Å²	71.2	70%	0.704	38%	0.382	S	S	*	.	H	α-helix	trans	-69.2	-39.4	-178.4	-66.6	-177.6	-178.4	177.4	0	112.1	N171 D177	N171-K173 VanDerWaalsContact C-N 3.3Å; N171-K173 PolarHBondContact O-N 3.16Å; N171-K173 PolarHBondContact OD1-N 2.89Å; N171-K173 VanDerWaalsContact OD1-N 3.17Å; K173-D177 WeakPolarHBondContact O-CB 3.34Å; K173-D177 PolarHBondContact O-N 3.26Å
174	E	78.3	Confident	78	Confident	96 Å²	96	77.6 Å²	77.6	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-67.6	-39.7	177.9	-169.9	-174.3	159.5	0	0	111.1	N171 K178	N171-E174 HydrophobicContact CB-CB 3.98Å; N171-E174 PolarHBondContact O-N 3.48Å; N171-E174 VanDerWaalsContact O-N 3.09Å; E174-K178 HydrophobicContact CG-CD 4.43Å; E174-K178 WeakPolarHBondContact O-CB 3.49Å; E174-K178 VanDerWaalsContact O-CG 3.28Å; E174-K178 WeakPolarHBondContact O-CG 3.27Å; E174-K178 PolarHBondContact O-N 3.11Å; E174-K178 VanDerWaalsContact OE1-CE 3.27Å; E174-K178 WeakPolarHBondContact OE1-CE 3.45Å; E174-K178 IonicContact OE1-NZ 2.79Å; E174-K178 PolarHBondContact OE1-NZ 2.74Å
175	M	80.1	Confident	77.2	Confident	7 Å²	7	79 Å²	79	3%	0.034	42%	0.419	C	S	.	.	H	α-helix	trans	-68.2	-44.2	176.5	-63.5	-53.1	113.6	0	0	111.4	L165 F170 N171 E172 D177 K178 I179 L185	L165-M175 HydrophobicContact CB-CG 4.14Å; L165-M175 HydrophobicContact CD1-CG 4.27Å; L165-M175 HydrophobicContact CD1-SD 4.19Å; F170-M175 HydrophobicContact CB-CE 4.13Å; F170-M175 HydrophobicContact CB-CG 3.82Å; F170-M175 HydrophobicContact CB-SD 4.09Å; F170-M175 HydrophobicContact CD1-CE 3.98Å; F170-M175 HydrophobicContact CD1-SD 4.17Å; F170-M175 HydrophobicContact CG-CE 4.48Å; F170-M175 HydrophobicContact CG-SD 4.35Å; N171-M175 WeakPolarHBondContact O-CG 3.33Å; N171-M175 PolarHBondContact O-N 2.9Å; E172-M175 PolarHBondContact O-N 3.13Å; M175-D177 VanDerWaalsContact C-N 3.32Å; M175-D177 PolarHBondContact O-N 2.96Å; M175-K178 HydrophobicContact CE-CD 4.22Å; M175-K178 PolarHBondContact O-N 2.99Å; M175-I179 WeakPolarHBondContact O-CB 3.41Å; M175-I179 VanDerWaalsContact O-CG1 3.24Å; M175-I179 WeakPolarHBondContact O-CG1 3.27Å; M175-I179 PolarHBondContact O-N 3.39Å; M175-L185 HydrophobicContact SD-CD2 3.8Å
176	A	77.8	Confident	76.6	Confident	39 Å²	39	88 Å²	88	32%	0.322	46%	0.459	S	S	.	.	H	α-helix	trans	-58.5	-43.7	175.8	0	0	0	0	0	111.8	V162 E172 K180	V162-A176 HydrophobicContact CG1-CB 4.36Å; V162-A176 HydrophobicContact CG2-CB 4.16Å; E172-A176 WeakPolarHBondContact O-CB 3.4Å; E172-A176 PolarHBondContact O-N 2.89Å; A176-K180 VanDerWaalsContact O-CB 3.24Å; A176-K180 WeakPolarHBondContact O-CB 3.28Å; A176-K180 PolarHBondContact O-N 2.93Å
177	D	78.2	Confident	76.2	Confident	96 Å²	96	88 Å²	88	51%	0.513	46%	0.455	S	S	.	.	H	α-helix	trans	-66	-42.1	177	-76.2	-25.4	0	0	0	112.2	K173 M175 K180 N181	K173-D177 WeakPolarHBondContact O-CB 3.34Å; K173-D177 PolarHBondContact O-N 3.26Å; M175-D177 VanDerWaalsContact C-N 3.32Å; M175-D177 PolarHBondContact O-N 2.96Å; D177-K180 PolarHBondContact O-N 3.16Å; D177-N181 VanDerWaalsContact O-CB 3.31Å; D177-N181 WeakPolarHBondContact O-CB 3.39Å; D177-N181 PolarHBondContact O-N 3.28Å; D177-N181 PolarHBondContact O-ND2 3.47Å
178	K	78.5	Confident	76.4	Confident	52 Å²	52	89.3 Å²	89.3	23%	0.226	46%	0.458	C	S	.	.	H	α-helix	trans	-63.6	-44.2	176.9	-77.2	176.6	-175.4	170.5	0	112.4	E174 M175 N181 S182 E183 L185	E174-K178 HydrophobicContact CG-CD 4.43Å; E174-K178 WeakPolarHBondContact O-CB 3.49Å; E174-K178 VanDerWaalsContact O-CG 3.28Å; E174-K178 WeakPolarHBondContact O-CG 3.27Å; E174-K178 PolarHBondContact O-N 3.11Å; E174-K178 VanDerWaalsContact OE1-CE 3.27Å; E174-K178 WeakPolarHBondContact OE1-CE 3.45Å; E174-K178 IonicContact OE1-NZ 2.79Å; E174-K178 PolarHBondContact OE1-NZ 2.74Å; M175-K178 HydrophobicContact CE-CD 4.22Å; M175-K178 PolarHBondContact O-N 2.99Å; K178-N181 CarbonylContact O-C 3.53Å; K178-N181 PolarHBondContact O-N 3.22Å; K178-S182 PolarHBondContact O-N 3Å; K178-S182 VanDerWaalsContact O-N 3.08Å; K178-E183 HydrophobicContact CB-CB 4.28Å; K178-E183 HydrophobicContact CG-CB 4.39Å; K178-E183 PolarHBondContact O-N 3.23Å; K178-L185 HydrophobicContact CB-CD2 3.78Å; K178-L185 HydrophobicContact CD-CD2 3.92Å
179	I	79.7	Confident	76.7	Confident	19 Å²	19	91.8 Å²	91.8	10%	0.097	47%	0.472	C	S	.	.	H	α-helix	trans	-63.2	-46.6	178.3	-71.4	170.8	0	0	0	110.2	D158 R161 V162 M175 N181 S182 L185	D158-I179 HydrophobicContact CB-CG2 3.99Å; D158-I179 WeakPolarHBondContact OD1-CG2 3.47Å; R161-I179 HydrophobicContact CG-CD1 4.25Å; R161-I179 VanDerWaalsContact NH2-CG1 3.34Å; V162-I179 HydrophobicContact CG2-CD1 3.54Å; M175-I179 WeakPolarHBondContact O-CB 3.41Å; M175-I179 VanDerWaalsContact O-CG1 3.24Å; M175-I179 WeakPolarHBondContact O-CG1 3.27Å; M175-I179 PolarHBondContact O-N 3.39Å; I179-N181 VanDerWaalsContact C-N 3.27Å; I179-N181 PolarHBondContact O-N 3.37Å; I179-S182 PolarHBondContact O-N 3.03Å; I179-L185 HydrophobicContact CD1-CD1 4.19Å; I179-L185 HydrophobicContact CG1-CD1 3.96Å; I179-L185 HydrophobicContact CG1-CD2 4.5Å
180	K	78.5	Confident	76.8	Confident	169 Å²	169	94.8 Å²	94.8	74%	0.735	47%	0.467	S	S	*	.	H	α-helix	trans	-60.4	-36	175.8	-174.8	176.6	-177.7	174.7	0	112.9	A176 D177 S182	A176-K180 VanDerWaalsContact O-CB 3.24Å; A176-K180 WeakPolarHBondContact O-CB 3.28Å; A176-K180 PolarHBondContact O-N 2.93Å; D177-K180 PolarHBondContact O-N 3.16Å; K180-S182 VanDerWaalsContact C-N 3.27Å; K180-S182 PolarHBondContact O-N 3.07Å
181	N	76.4	Confident	76.9	Confident	99 Å²	99	92.2 Å²	92.2	53%	0.529	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	1.1	178	-65.9	-21.6	0	0	0	113.4	D177 K178 I179 E183	D177-N181 VanDerWaalsContact O-CB 3.31Å; D177-N181 WeakPolarHBondContact O-CB 3.39Å; D177-N181 PolarHBondContact O-N 3.28Å; D177-N181 PolarHBondContact O-ND2 3.47Å; K178-N181 CarbonylContact O-C 3.53Å; K178-N181 PolarHBondContact O-N 3.22Å; I179-N181 VanDerWaalsContact C-N 3.27Å; I179-N181 PolarHBondContact O-N 3.37Å; N181-E183 HydrophobicContact CB-CG 4.01Å; N181-E183 PolarHBondContact O-N 2.86Å
182	S	75.6	Confident	77	Confident	113 Å²	113	91.5 Å²	91.5	79%	0.79	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	34.8	-173.9	-55.5	0	0	0	0	113	K178 I179 K180	K178-S182 PolarHBondContact O-N 3Å; K178-S182 VanDerWaalsContact O-N 3.08Å; I179-S182 PolarHBondContact O-N 3.03Å; K180-S182 VanDerWaalsContact C-N 3.27Å; K180-S182 PolarHBondContact O-N 3.07Å
183	E	71.6	Confident	77.1	Confident	108 Å²	108	91.7 Å²	91.7	51%	0.505	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-80.6	144.2	175	-71.7	-176.5	-173.6	0	0	110.7	K178 N181 L185	K178-E183 HydrophobicContact CB-CB 4.28Å; K178-E183 HydrophobicContact CG-CB 4.39Å; K178-E183 PolarHBondContact O-N 3.23Å; N181-E183 HydrophobicContact CB-CG 4.01Å; N181-E183 PolarHBondContact O-N 2.86Å; E183-L185 PolarHBondContact O-N 3.01Å
184	E	64.4	Low	77.3	Confident	176 Å²	176	86.3 Å²	86.3	82%	0.822	43%	0.432	S	S	*	.	P	Polyproline II helix	trans	-65.2	120	177.5	-168.9	174.3	-158.9	0	0	110.2	K186	E184-K186 PolarHBondContact O-N 3.28Å
185	L	69.4	Low	77.6	Confident	31 Å²	31	82.2 Å²	82.2	16%	0.162	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-77.5	118.4	174.5	-64.3	172.6	0	0	0	108.2	L165 M175 K178 I179 E183 V187	L165-L185 HydrophobicContact CD1-CD1 3.89Å; M175-L185 HydrophobicContact SD-CD2 3.8Å; K178-L185 HydrophobicContact CB-CD2 3.78Å; K178-L185 HydrophobicContact CD-CD2 3.92Å; I179-L185 HydrophobicContact CD1-CD1 4.19Å; I179-L185 HydrophobicContact CG1-CD1 3.96Å; I179-L185 HydrophobicContact CG1-CD2 4.5Å; E183-L185 PolarHBondContact O-N 3.01Å; L185-V187 VanDerWaalsContact C-N 3.29Å; L185-V187 HydrophobicContact CB-CG2 4.04Å; L185-V187 PolarHBondContact O-N 2.87Å
186	K	69.6	Low	77.9	Confident	191 Å²	191	87.4 Å²	87.4	83%	0.83	44%	0.438	S	S	*	.			trans	-80.3	83.2	170	-66.8	-174	179.9	-177	0	109	E184	E184-K186 PolarHBondContact O-N 3.28Å
187	V	76.1	Confident	78.1	Confident	29 Å²	29	87.8 Å²	87.8	18%	0.176	44%	0.438	C	S	.	.			trans	-97.9	151.6	168.1	-110.4	0	0	0	0	109	L165 F170 L185 T191	L165-V187 HydrophobicContact CD2-CG1 3.7Å; F170-V187 HydrophobicContact CE2-CG1 4.19Å; F170-V187 HydrophobicContact CZ-CG1 3.94Å; L185-V187 VanDerWaalsContact C-N 3.29Å; L185-V187 HydrophobicContact CB-CG2 4.04Å; L185-V187 PolarHBondContact O-N 2.87Å; V187-T191 HydrophobicContact CB-CG2 4.3Å; V187-T191 HydrophobicContact CG1-CG2 3.55Å
188	D	81.6	Confident	78.5	Confident	78 Å²	78	83.8 Å²	83.8	42%	0.417	42%	0.416	S	S	.	.			trans	-63.5	158.5	168.7	54.4	96.7	0	0	0	111.2	E190 T191 Q192	D188-E190 VanDerWaalsContact C-N 3.33Å; D188-E190 PolarHBondContact O-N 3.11Å; D188-T191 PolarHBondContact O-N 3.48Å; D188-T191 VanDerWaalsContact OD1-CB 3.3Å; D188-T191 WeakPolarHBondContact OD1-CB 3.43Å; D188-T191 PolarHBondContact OD1-N 2.94Å; D188-T191 PolarHBondContact OD1-OG1 3.25Å; D188-T191 PolarHBondContact OD2-OG1 3.15Å; D188-Q192 PolarHBondContact O-N 3.48Å
189	E	81.3	Confident	79	Confident	157 Å²	157	85.6 Å²	85.6	73%	0.734	42%	0.424	S	S	*	.	H	α-helix	trans	-59.4	-42.2	-176.4	-170.1	169.1	-164.9	0	0	111.9	T191 Q192 E193	E189-T191 PolarHBondContact O-N 3.17Å; E189-Q192 WeakPolarHBondContact O-CB 3.5Å; E189-Q192 PolarHBondContact O-N 2.91Å; E189-E193 WeakPolarHBondContact O-CG 3.42Å; E189-E193 PolarHBondContact O-N 3.33Å
190	E	79	Confident	79.3	Confident	131 Å²	131	86.5 Å²	86.5	61%	0.612	43%	0.429	S	S	*	.	H	α-helix	trans	-60.4	-48.1	176.8	-177.1	-174	164	0	0	111.7	D188 Q192 E193 V194	D188-E190 VanDerWaalsContact C-N 3.33Å; D188-E190 PolarHBondContact O-N 3.11Å; E190-Q192 VanDerWaalsContact C-N 3.28Å; E190-Q192 PolarHBondContact O-N 3.23Å; E190-E193 PolarHBondContact O-N 3.01Å; E190-V194 WeakPolarHBondContact O-CG2 3.36Å; E190-V194 PolarHBondContact O-N 3.08Å
191	T	80.3	Confident	79.6	Confident	11 Å²	11	79.6 Å²	79.6	7%	0.067	40%	0.399	C	S	.	.	H	α-helix	trans	-65.1	-33.8	178	-60.5	0	0	0	0	112.1	F164 L165 V187 D188 E189 L195	F164-T191 HydrophobicContact CE1-CG2 3.91Å; F164-T191 HydrophobicContact CZ-CG2 4.46Å; L165-T191 HydrophobicContact CD2-CG2 4.13Å; V187-T191 HydrophobicContact CB-CG2 4.3Å; V187-T191 HydrophobicContact CG1-CG2 3.55Å; D188-T191 PolarHBondContact O-N 3.48Å; D188-T191 VanDerWaalsContact OD1-CB 3.3Å; D188-T191 WeakPolarHBondContact OD1-CB 3.43Å; D188-T191 PolarHBondContact OD1-N 2.94Å; D188-T191 PolarHBondContact OD1-OG1 3.25Å; D188-T191 PolarHBondContact OD2-OG1 3.15Å; E189-T191 PolarHBondContact O-N 3.17Å; T191-L195 HydrophobicContact CG2-CD1 4.4Å; T191-L195 WeakPolarHBondContact O-CB 3.49Å; T191-L195 WeakPolarHBondContact O-CG 3.41Å; T191-L195 PolarHBondContact O-N 3.26Å
192	Q	83.5	Confident	80.2	Confident	78 Å²	78	75 Å²	75	36%	0.364	37%	0.374	S	S	.	.	H	α-helix	trans	-67.7	-44	175.9	-178.8	61.2	25.2	0	0	111.7	D188 E189 E190 V194 L195 E196	D188-Q192 PolarHBondContact O-N 3.48Å; E189-Q192 WeakPolarHBondContact O-CB 3.5Å; E189-Q192 PolarHBondContact O-N 2.91Å; E190-Q192 VanDerWaalsContact C-N 3.28Å; E190-Q192 PolarHBondContact O-N 3.23Å; Q192-V194 PolarHBondContact O-N 3.18Å; Q192-L195 PolarHBondContact O-N 2.94Å; Q192-E196 PolarHBondContact NE2-OE1 2.8Å; Q192-E196 WeakPolarHBondContact O-CG 3.24Å; Q192-E196 PolarHBondContact O-N 3.41Å
193	E	82.1	Confident	80.8	Confident	83 Å²	83	73.7 Å²	73.7	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-60.5	-44.3	175	-72.6	177.5	178.2	0	0	111.6	E189 E190 L195 E196 S197	E189-E193 WeakPolarHBondContact O-CG 3.42Å; E189-E193 PolarHBondContact O-N 3.33Å; E190-E193 PolarHBondContact O-N 3.01Å; E193-L195 PolarHBondContact O-N 3.06Å; E193-E196 PolarHBondContact O-N 2.8Å; E193-S197 PolarHBondContact O-N 3.33Å
194	V	82.1	Confident	81.5	Confident	50 Å²	50	72.6 Å²	72.6	30%	0.303	35%	0.349	S	S	.	.	H	α-helix	trans	-60	-45.7	175.3	172	0	0	0	0	110.9	L55 F164 E190 Q192 E196 S197 L198	L55-V194 HydrophobicContact CD2-CG1 4.32Å; F164-V194 HydrophobicContact CE2-CG1 4.49Å; F164-V194 HydrophobicContact CZ-CG1 3.91Å; E190-V194 WeakPolarHBondContact O-CG2 3.36Å; E190-V194 PolarHBondContact O-N 3.08Å; Q192-V194 PolarHBondContact O-N 3.18Å; V194-E196 VanDerWaalsContact C-N 3.31Å; V194-E196 PolarHBondContact O-N 2.8Å; V194-S197 PolarHBondContact O-N 3.4Å; V194-L198 HydrophobicContact CG1-CD1 3.76Å; V194-L198 HydrophobicContact CG1-CG 4.19Å; V194-L198 WeakPolarHBondContact O-CB 3.5Å; V194-L198 WeakPolarHBondContact O-CG 3.38Å; V194-L198 PolarHBondContact O-N 2.83Å
195	L	84.3	Confident	82.6	Confident	10 Å²	10	64.4 Å²	64.4	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-37.7	177.7	-81.8	172.1	0	0	0	112.7	W157 R161 F164 L165 T191 Q192 E193 K199	W157-L195 HydrophobicContact CH2-CD2 4.49Å; W157-L195 WeakPolarHBondContact CH2-O 3.39Å; W157-L195 HydrophobicContact CZ2-CD2 4.17Å; W157-L195 WeakPolarHBondContact CZ2-O 3.35Å; R161-L195 HydrophobicContact CG-CD2 4.09Å; F164-L195 HydrophobicContact CD1-CD2 3.53Å; F164-L195 HydrophobicContact CD1-CG 4.1Å; F164-L195 HydrophobicContact CE1-CD1 4.47Å; F164-L195 HydrophobicContact CE1-CD2 3.75Å; F164-L195 HydrophobicContact CE1-CG 3.83Å; F164-L195 HydrophobicContact CG-CD2 4.45Å; L165-L195 HydrophobicContact CD2-CD1 4.37Å; T191-L195 HydrophobicContact CG2-CD1 4.4Å; T191-L195 WeakPolarHBondContact O-CB 3.49Å; T191-L195 WeakPolarHBondContact O-CG 3.41Å; T191-L195 PolarHBondContact O-N 3.26Å; Q192-L195 PolarHBondContact O-N 2.94Å; E193-L195 PolarHBondContact O-N 3.06Å; L195-K199 VanDerWaalsContact O-CB 3.27Å; L195-K199 WeakPolarHBondContact O-CB 3.41Å; L195-K199 PolarHBondContact O-N 2.95Å
196	E	86	Confident	83.4	Confident	116 Å²	116	63.4 Å²	63.4	54%	0.542	31%	0.306	S	S	.	.	H	α-helix	trans	-67.4	-43.3	176.7	-73.4	176.5	-166.3	0	0	111.8	Q192 E193 V194 K199 D200	Q192-E196 PolarHBondContact NE2-OE1 2.8Å; Q192-E196 WeakPolarHBondContact O-CG 3.24Å; Q192-E196 PolarHBondContact O-N 3.41Å; E193-E196 PolarHBondContact O-N 2.8Å; V194-E196 VanDerWaalsContact C-N 3.31Å; V194-E196 PolarHBondContact O-N 2.8Å; E196-K199 PolarHBondContact O-N 2.71Å; E196-D200 PolarHBondContact O-N 3.33Å
197	S	82.2	Confident	83.7	Confident	46 Å²	46	59 Å²	59	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-61.5	-46.3	174.6	-174.7	0	0	0	0	111.8	E193 V194 K199 D200 R201	E193-S197 PolarHBondContact O-N 3.33Å; V194-S197 PolarHBondContact O-N 3.4Å; S197-K199 VanDerWaalsContact C-N 3.32Å; S197-K199 PolarHBondContact O-N 3.06Å; S197-D200 PolarHBondContact O-N 2.85Å; S197-R201 PolarHBondContact O-N 2.74Å
198	L	86.5	Confident	83.8	Confident	12 Å²	12	63 Å²	63	6%	0.063	32%	0.318	C	S	.	.	H	α-helix	trans	-63	-38	175.9	-69.6	173.4	0	0	0	112.3	L55 P56 W157 Y160 F164 V194 D200 R201 W202 F222	L55-L198 HydrophobicContact CD2-CD1 3.65Å; L55-L198 HydrophobicContact CD2-CD2 4.31Å; P56-L198 VanDerWaalsContact CD-CD2 3.45Å; P56-L198 HydrophobicContact CG-CD2 3.67Å; W157-L198 HydrophobicContact CH2-CB 3.72Å; W157-L198 HydrophobicContact CZ3-CB 4.23Å; Y160-L198 HydrophobicContact CE1-CD1 4.22Å; F164-L198 HydrophobicContact CD2-CD1 4.48Å; F164-L198 HydrophobicContact CE2-CD1 4.36Å; F164-L198 HydrophobicContact CZ-CD1 4.5Å; V194-L198 HydrophobicContact CG1-CD1 3.76Å; V194-L198 HydrophobicContact CG1-CG 4.19Å; V194-L198 WeakPolarHBondContact O-CB 3.5Å; V194-L198 WeakPolarHBondContact O-CG 3.38Å; V194-L198 PolarHBondContact O-N 2.83Å; L198-D200 VanDerWaalsContact C-N 3.31Å; L198-D200 PolarHBondContact O-N 3.05Å; L198-R201 PolarHBondContact O-N 3.34Å; L198-W202 WeakPolarHBondContact O-CB 3.48Å; L198-W202 PolarHBondContact O-N 3.13Å; L198-F222 HydrophobicContact CD2-CE2 4.46Å; L198-F222 HydrophobicContact CD2-CZ 4.07Å
199	K	88.1	Confident	83.6	Confident	91 Å²	91	63.7 Å²	63.7	40%	0.396	33%	0.327	S	S	.	.	H	α-helix	trans	-65.3	-39.4	178.1	-166.2	-180	-174.8	-177.5	0	111.5	W157 L195 E196 S197 W202 F203	W157-K199 HydrophobicContact CD2-CB 4.49Å; W157-K199 HydrophobicContact CD2-CG 4.09Å; W157-K199 HydrophobicContact CE3-CG 4.46Å; W157-K199 HydrophobicContact CH2-CB 3.65Å; W157-K199 HydrophobicContact CH2-CG 4.29Å; W157-K199 HydrophobicContact CZ2-CB 3.5Å; W157-K199 HydrophobicContact CZ2-CD 4.37Å; W157-K199 HydrophobicContact CZ2-CG 3.89Å; W157-K199 HydrophobicContact CZ3-CB 4.2Å; L195-K199 VanDerWaalsContact O-CB 3.27Å; L195-K199 WeakPolarHBondContact O-CB 3.41Å; L195-K199 PolarHBondContact O-N 2.95Å; E196-K199 PolarHBondContact O-N 2.71Å; S197-K199 VanDerWaalsContact C-N 3.32Å; S197-K199 PolarHBondContact O-N 3.06Å; K199-W202 WeakPolarHBondContact O-CB 3.42Å; K199-W202 PolarHBondContact O-N 3.31Å; K199-F203 HydrophobicContact CD-CE2 4.1Å; K199-F203 HydrophobicContact CG-CD2 4.21Å; K199-F203 HydrophobicContact CG-CE2 3.69Å; K199-F203 HydrophobicContact CG-CZ 4.44Å; K199-F203 WeakPolarHBondContact O-CD2 3.11Å; K199-F203 PolarHBondContact O-N 3.47Å; K199-F203 VanDerWaalsContact O-N 3.16Å
200	D	85.9	Confident	83.7	Confident	38 Å²	38	59.9 Å²	59.9	20%	0.203	32%	0.322	C	S	.	.	H	α-helix	trans	-64.9	-45	176.3	-153.3	58.7	0	0	0	110.8	R33 E196 S197 L198 W202 F203 Q204 Y234	R33-D200 IonicContact CZ-OD2 3.09Å; R33-D200 IonicContact NH1-OD2 2.93Å; R33-D200 PolarHBondContact NH1-OD2 3.23Å; R33-D200 IonicContact NH2-OD1 2.95Å; R33-D200 PolarHBondContact NH2-OD1 3.28Å; R33-D200 IonicContact NH2-OD2 3.75Å; R33-D200 PolarHBondContact NH2-OD2 3.07Å; E196-D200 PolarHBondContact O-N 3.33Å; S197-D200 PolarHBondContact O-N 2.85Å; L198-D200 VanDerWaalsContact C-N 3.31Å; L198-D200 PolarHBondContact O-N 3.05Å; D200-W202 VanDerWaalsContact C-N 3.31Å; D200-W202 PolarHBondContact O-N 3.21Å; D200-F203 PolarHBondContact O-N 3.34Å; D200-Q204 WeakPolarHBondContact O-CG 3.37Å; D200-Q204 PolarHBondContact O-N 3.45Å; D200-Y234 PolarHBondContact OD2-OH 2.84Å
201	R	85.4	Confident	84.1	Confident	24 Å²	24	57.2 Å²	57.2	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-58.5	-41.8	173.4	-172.7	-176	-71.2	-150.8	1.5	112.1	S197 L198 F203 Q204 A205 F222 M231	S197-R201 PolarHBondContact O-N 2.74Å; L198-R201 PolarHBondContact O-N 3.34Å; R201-F203 VanDerWaalsContact C-N 3.33Å; R201-F203 PolarHBondContact O-N 2.87Å; R201-Q204 PolarHBondContact O-N 3.49Å; R201-A205 PolarHBondContact O-N 3Å; R201-F222 HydrophobicContact CB-CD2 4.3Å; R201-F222 HydrophobicContact CB-CE2 4.16Å; R201-F222 WeakPolarHBondContact CD-O 3.42Å; R201-F222 HydrophobicContact CG-CD2 3.88Å; R201-F222 HydrophobicContact CG-CE2 4.14Å; R201-M231 HydrophobicContact CG-CE 4.41Å; R201-M231 HydrophobicContact CG-SD 4.45Å
202	W	89	Confident	84.3	Confident	3 Å²	3	62.7 Å²	62.7	1%	0.011	34%	0.337	C	S	.	.	H	α-helix	trans	-55.4	-47.5	176.8	-175.7	-77.1	0	0	0	111.9	V155 W157 Y160 L198 K199 D200 Q204 A205 D206 L214 F219 F222	V155-W202 HydrophobicContact CB-CH2 3.96Å; V155-W202 HydrophobicContact CG1-CH2 3.73Å; V155-W202 WeakPolarHBondContact O-CZ2 3.45Å; W157-W202 HydrophobicContact CB-CZ2 4.5Å; W157-W202 HydrophobicContact CE3-CB 3.86Å; W157-W202 AromaticContact CE3-CD2 3.56Å; W157-W202 HydrophobicContact CE3-CD2 3.56Å; W157-W202 AromaticContact CE3-CE3 3.64Å; W157-W202 HydrophobicContact CE3-CE3 3.64Å; W157-W202 AromaticContact CE3-CG 3.68Å; W157-W202 HydrophobicContact CE3-CG 3.68Å; W157-W202 HydrophobicContact CE3-CZ3 4.37Å; W157-W202 HydrophobicContact CZ3-CB 3.9Å; W157-W202 HydrophobicContact CZ3-CD2 4.15Å; W157-W202 AromaticContact CZ3-CE3 3.93Å; W157-W202 HydrophobicContact CZ3-CE3 3.93Å; W157-W202 HydrophobicContact CZ3-CG 4.19Å; Y160-W202 HydrophobicContact CD1-CE3 4.45Å; Y160-W202 HydrophobicContact CD1-CZ3 4.21Å; Y160-W202 AromaticContact CD2-CZ3 4Å; Y160-W202 HydrophobicContact CD2-CZ3 4Å; Y160-W202 HydrophobicContact CG-CE3 4.32Å; Y160-W202 HydrophobicContact CG-CH2 4.44Å; Y160-W202 AromaticContact CG-CZ3 3.66Å; Y160-W202 HydrophobicContact CG-CZ3 3.66Å; L198-W202 WeakPolarHBondContact O-CB 3.48Å; L198-W202 PolarHBondContact O-N 3.13Å; K199-W202 WeakPolarHBondContact O-CB 3.42Å; K199-W202 PolarHBondContact O-N 3.31Å; D200-W202 VanDerWaalsContact C-N 3.31Å; D200-W202 PolarHBondContact O-N 3.21Å; W202-Q204 PolarHBondContact O-N 2.77Å; W202-A205 PolarHBondContact O-N 3.33Å; W202-A205 VanDerWaalsContact O-N 3.16Å; W202-D206 PolarHBondContact O-N 2.94Å; W202-D206 VanDerWaalsContact O-N 3.11Å; W202-L214 HydrophobicContact CD2-CD1 3.46Å; W202-L214 VanDerWaalsContact CD2-CD1 3.46Å; W202-L214 HydrophobicContact CD2-CG 3.91Å; W202-L214 HydrophobicContact CE3-CD1 3.46Å; W202-L214 VanDerWaalsContact CE3-CD1 3.46Å; W202-L214 HydrophobicContact CE3-CG 4.29Å; W202-L214 HydrophobicContact CG-CD1 4.13Å; W202-L214 HydrophobicContact CH2-CB 4.31Å; W202-L214 HydrophobicContact CH2-CD1 3.79Å; W202-L214 HydrophobicContact CH2-CG 3.98Å; W202-L214 HydrophobicContact CZ2-CB 4.15Å; W202-L214 HydrophobicContact CZ2-CD1 3.81Å; W202-L214 HydrophobicContact CZ2-CG 3.58Å; W202-L214 HydrophobicContact CZ3-CD1 3.63Å; W202-L214 HydrophobicContact CZ3-CG 4.33Å; W202-F219 HydrophobicContact CZ3-CD2 4.39Å; W202-F219 HydrophobicContact CZ3-CE2 4.37Å; W202-F222 HydrophobicContact CB-CD2 4.42Å; W202-F222 HydrophobicContact CB-CE2 4.28Å; W202-F222 HydrophobicContact CE3-CD2 4.33Å; W202-F222 HydrophobicContact CE3-CE1 4.44Å; W202-F222 HydrophobicContact CE3-CE2 4.19Å; W202-F222 HydrophobicContact CE3-CZ 4.24Å
203	F	87.9	Confident	84.6	Confident	85 Å²	85	61.3 Å²	61.3	37%	0.373	33%	0.332	S	S	.	.	H	α-helix	trans	-64.2	-24.2	177.3	-72.9	-60.2	0	0	0	113.9	K199 D200 R201 Q212	K199-F203 HydrophobicContact CD-CE2 4.1Å; K199-F203 HydrophobicContact CG-CD2 4.21Å; K199-F203 HydrophobicContact CG-CE2 3.69Å; K199-F203 HydrophobicContact CG-CZ 4.44Å; K199-F203 WeakPolarHBondContact O-CD2 3.11Å; K199-F203 PolarHBondContact O-N 3.47Å; K199-F203 VanDerWaalsContact O-N 3.16Å; D200-F203 PolarHBondContact O-N 3.34Å; R201-F203 VanDerWaalsContact C-N 3.33Å; R201-F203 PolarHBondContact O-N 2.87Å; F203-Q212 HydrophobicContact CE1-CG 4.21Å
204	Q	86.6	Confident	85.1	Confident	85 Å²	85	57.4 Å²	57.4	40%	0.397	31%	0.313	S	S	.	.	H	α-helix	trans	-84.3	-27.8	176.8	-57.2	-66.5	-22.8	0	0	112	D200 R201 W202 D206 M231 Y234	D200-Q204 WeakPolarHBondContact O-CG 3.37Å; D200-Q204 PolarHBondContact O-N 3.45Å; R201-Q204 PolarHBondContact O-N 3.49Å; W202-Q204 PolarHBondContact O-N 2.77Å; Q204-D206 VanDerWaalsContact C-N 3.34Å; Q204-M231 HydrophobicContact CB-CE 3.95Å; Q204-M231 HydrophobicContact CB-SD 4.21Å; Q204-Y234 HydrophobicContact CB-CD1 4.21Å; Q204-Y234 HydrophobicContact CB-CD2 4.14Å; Q204-Y234 HydrophobicContact CB-CE1 4.41Å; Q204-Y234 HydrophobicContact CB-CE2 4.37Å; Q204-Y234 HydrophobicContact CB-CG 4.06Å; Q204-Y234 VanDerWaalsContact CD-CD2 3.46Å; Q204-Y234 HydrophobicContact CG-CD1 4.14Å; Q204-Y234 HydrophobicContact CG-CD2 3.58Å; Q204-Y234 HydrophobicContact CG-CE1 3.96Å; Q204-Y234 HydrophobicContact CG-CE2 3.39Å; Q204-Y234 HydrophobicContact CG-CG 3.96Å
205	A	87.6	Confident	85.5	Confident	4 Å²	4	57.4 Å²	57.4	3%	0.033	31%	0.312	C	S	.	.	H	α-helix	trans	-73.6	-30.2	175.2	0	0	0	0	0	111.8	R201 W202 N207 L214 F222 M231	R201-A205 PolarHBondContact O-N 3Å; W202-A205 PolarHBondContact O-N 3.33Å; W202-A205 VanDerWaalsContact O-N 3.16Å; A205-N207 PolarHBondContact O-N 3.16Å; A205-L214 HydrophobicContact CB-CD1 4.2Å; A205-L214 HydrophobicContact CB-CD2 4.02Å; A205-F222 HydrophobicContact CB-CB 3.76Å; A205-M231 HydrophobicContact CB-CE 3.56Å; A205-M231 VanDerWaalsContact N-CE 3.28Å
206	D	86.8	Confident	85.7	Confident	10 Å²	10	61 Å²	61	5%	0.053	33%	0.328	C	S	.	.			trans	-68.4	73.1	174	-174.1	22.2	0	0	0	111.5	W202 Q204 A210 D211 Q212 L214	W202-D206 PolarHBondContact O-N 2.94Å; W202-D206 VanDerWaalsContact O-N 3.11Å; Q204-D206 VanDerWaalsContact C-N 3.34Å; D206-A210 VanDerWaalsContact OD1-CA 3.27Å; D206-A210 WeakPolarHBondContact OD1-CA 3.34Å; D206-A210 WeakPolarHBondContact OD2-CA 3.32Å; D206-D211 PolarHBondContact OD1-N 3.1Å; D206-D211 VanDerWaalsContact OD1-N 3.14Å; D206-D211 PolarHBondContact OD2-N 3.45Å; D206-Q212 WeakPolarHBondContact OD2-CA 3.43Å; D206-Q212 PolarHBondContact OD2-N 3.05Å; D206-L214 HydrophobicContact CB-CD2 3.82Å
207	N	76.3	Confident	85.8	Confident	97 Å²	97	62.4 Å²	62.4	52%	0.519	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-84.3	153.8	-176.6	-156.8	27.2	0	0	0	109.6	A205 P209	A205-N207 PolarHBondContact O-N 3.16Å; N207-P209 CarbonylContact O-C 3.55Å
208	P	77.6	Confident	86.2	Confident	113 Å²	113	61.3 Å²	61.3	73%	0.734	33%	0.325	S	S	*	.	S	Bend	trans	-51.4	127.2	-164.2	-32.1	37.1	0	0	0	116.2
209	P	77.9	Confident	86.4	Confident	94 Å²	94	60.8 Å²	60.8	61%	0.61	32%	0.322	S	S	*	.	S	Bend	cis	-79.4	127.7	7.5	32.3	-32.8	0	0	0	113.3	N207 D211	N207-P209 CarbonylContact O-C 3.55Å; P209-D211 PolarHBondContact O-N 3.26Å
210	A	82.9	Confident	86.4	Confident	76 Å²	76	56.9 Å²	56.9	63%	0.628	31%	0.306	S	S	*	.			trans	-74.4	88.4	173.4	0	0	0	0	0	109.9	D206	D206-A210 VanDerWaalsContact OD1-CA 3.27Å; D206-A210 WeakPolarHBondContact OD1-CA 3.34Å; D206-A210 WeakPolarHBondContact OD2-CA 3.32Å
211	D	86.3	Confident	86.5	Confident	75 Å²	75	55.6 Å²	55.6	40%	0.401	30%	0.299	S	S	.	.			trans	-108.7	6.4	-174.3	67.7	8.6	0	0	0	113.4	D206 P209 L213	D206-D211 PolarHBondContact OD1-N 3.1Å; D206-D211 VanDerWaalsContact OD1-N 3.14Å; D206-D211 PolarHBondContact OD2-N 3.45Å; P209-D211 PolarHBondContact O-N 3.26Å; D211-L213 PolarHBondContact O-N 3.45Å; D211-L213 VanDerWaalsContact OD1-CB 3.26Å; D211-L213 WeakPolarHBondContact OD1-CB 3.49Å; D211-L213 PolarHBondContact OD1-N 3.43Å
212	Q	85.9	Confident	86.7	Confident	126 Å²	126	54.5 Å²	54.5	59%	0.589	30%	0.295	S	S	*	.	S	Bend	trans	66.4	14.5	-177.2	-52.1	-178.1	3.1	0	0	114	F203 D206	F203-Q212 HydrophobicContact CE1-CG 4.21Å; D206-Q212 WeakPolarHBondContact OD2-CA 3.43Å; D206-Q212 PolarHBondContact OD2-N 3.05Å
213	L	90	Very high	86.6	Confident	50 Å²	50	54.6 Å²	54.6	26%	0.262	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.1	174.6	-51.3	175	0	0	0	107.8	H154 T156 D211	H154-L213 HydrophobicContact CB-CB 4.01Å; H154-L213 HydrophobicContact CB-CD1 4.43Å; T156-L213 HydrophobicContact CG2-CD2 3.57Å; D211-L213 PolarHBondContact O-N 3.45Å; D211-L213 VanDerWaalsContact OD1-CB 3.26Å; D211-L213 WeakPolarHBondContact OD1-CB 3.49Å; D211-L213 PolarHBondContact OD1-N 3.43Å
214	L	90.9	Very high	86.4	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	121.7	172.4	-58.7	-175.8	0	0	0	109.4	H154 V155 W202 A205 D206 E218 F219 F222	H154-L214 WeakPolarHBondContact CA-O 3.46Å; V155-L214 PolarHBondContact N-O 3.44Å; V155-L214 PolarHBondContact O-N 3.14Å; W202-L214 HydrophobicContact CD2-CD1 3.46Å; W202-L214 VanDerWaalsContact CD2-CD1 3.46Å; W202-L214 HydrophobicContact CD2-CG 3.91Å; W202-L214 HydrophobicContact CE3-CD1 3.46Å; W202-L214 VanDerWaalsContact CE3-CD1 3.46Å; W202-L214 HydrophobicContact CE3-CG 4.29Å; W202-L214 HydrophobicContact CG-CD1 4.13Å; W202-L214 HydrophobicContact CH2-CB 4.31Å; W202-L214 HydrophobicContact CH2-CD1 3.79Å; W202-L214 HydrophobicContact CH2-CG 3.98Å; W202-L214 HydrophobicContact CZ2-CB 4.15Å; W202-L214 HydrophobicContact CZ2-CD1 3.81Å; W202-L214 HydrophobicContact CZ2-CG 3.58Å; W202-L214 HydrophobicContact CZ3-CD1 3.63Å; W202-L214 HydrophobicContact CZ3-CG 4.33Å; A205-L214 HydrophobicContact CB-CD1 4.2Å; A205-L214 HydrophobicContact CB-CD2 4.02Å; D206-L214 HydrophobicContact CB-CD2 3.82Å; L214-E218 WeakPolarHBondContact CA-OE2 3.28Å; L214-E218 HydrophobicContact CB-CB 4.03Å; L214-E218 HydrophobicContact CD2-CB 3.85Å; L214-E218 HydrophobicContact CG-CB 4.44Å; L214-F219 HydrophobicContact CB-CB 4.24Å; L214-F219 HydrophobicContact CD1-CD2 4.33Å; L214-F222 HydrophobicContact CD1-CB 3.89Å; L214-F222 HydrophobicContact CD1-CG 4.16Å
215	N	90.6	Very high	86.3	Confident	50 Å²	50	47.5 Å²	47.5	27%	0.267	26%	0.264	S	S	.	.			trans	-74.2	177	165.1	68.7	51.4	0	0	0	111.2	E217 E218 F219	N215-E217 VanDerWaalsContact C-N 3.28Å; N215-E217 PolarHBondContact O-N 3.43Å; N215-E217 WeakPolarHBondContact OD1-CA 3.42Å; N215-E217 WeakPolarHBondContact OD1-CB 3.3Å; N215-E217 PolarHBondContact OD1-N 2.93Å; N215-E218 VanDerWaalsContact CG-CD 3.5Å; N215-E218 PolarHBondContact N-OE2 2.79Å; N215-E218 PolarHBondContact ND2-OE1 2.9Å; N215-E218 VanDerWaalsContact ND2-OE1 3.13Å; N215-E218 PolarHBondContact ND2-OE2 2.8Å; N215-E218 PolarHBondContact O-N 2.89Å; N215-E218 PolarHBondContact OD1-N 3.02Å; N215-F219 VanDerWaalsContact O-CB 3.27Å; N215-F219 WeakPolarHBondContact O-CB 3.27Å; N215-F219 PolarHBondContact O-N 3.26Å
216	E	89.1	Confident	86	Confident	85 Å²	85	47.6 Å²	47.6	40%	0.397	26%	0.264	S	S	.	.	H	α-helix	trans	-57.2	-36.6	-177.1	-169.6	-174.3	153	0	0	113.7	N140 K141 F144 L220	N140-E216 PolarHBondContact ND2-O 2.97Å; N140-E216 VanDerWaalsContact ND2-O 3.08Å; K141-E216 WeakPolarHBondContact CE-OE1 3.48Å; K141-E216 WeakPolarHBondContact CG-OE1 3.32Å; F144-E216 HydrophobicContact CD2-CB 4.31Å; F144-E216 HydrophobicContact CD2-CG 4.49Å; F144-E216 HydrophobicContact CE1-CB 4.49Å; F144-E216 HydrophobicContact CE2-CB 4.21Å; F144-E216 HydrophobicContact CG-CB 4.47Å; F144-E216 HydrophobicContact CG-CG 4.32Å; F144-E216 HydrophobicContact CZ-CB 4.32Å; E216-L220 WeakPolarHBondContact O-CB 3.5Å; E216-L220 PolarHBondContact O-N 3.47Å
217	E	88.7	Confident	85.7	Confident	147 Å²	147	50.6 Å²	50.6	69%	0.687	28%	0.277	S	S	*	.	H	α-helix	trans	-77.5	-37.1	-179.5	-174.9	177.2	178.1	0	0	112	N215 L220 S221	N215-E217 VanDerWaalsContact C-N 3.28Å; N215-E217 PolarHBondContact O-N 3.43Å; N215-E217 WeakPolarHBondContact OD1-CA 3.42Å; N215-E217 WeakPolarHBondContact OD1-CB 3.3Å; N215-E217 PolarHBondContact OD1-N 2.93Å; E217-L220 WeakPolarHBondContact O-CB 3.18Å; E217-L220 PolarHBondContact O-N 2.94Å; E217-S221 PolarHBondContact O-N 3.24Å; E217-S221 PolarHBondContact O-OG 2.73Å
218	E	90.3	Very high	86.1	Confident	23 Å²	23	47 Å²	47	11%	0.107	26%	0.26	C	S	.	.	H	α-helix	trans	-71.3	-38.7	174.5	-69.3	162.3	173.7	0	0	111.2	L214 N215 L220 S221 F222	L214-E218 WeakPolarHBondContact CA-OE2 3.28Å; L214-E218 HydrophobicContact CB-CB 4.03Å; L214-E218 HydrophobicContact CD2-CB 3.85Å; L214-E218 HydrophobicContact CG-CB 4.44Å; N215-E218 VanDerWaalsContact CG-CD 3.5Å; N215-E218 PolarHBondContact N-OE2 2.79Å; N215-E218 PolarHBondContact ND2-OE1 2.9Å; N215-E218 VanDerWaalsContact ND2-OE1 3.13Å; N215-E218 PolarHBondContact ND2-OE2 2.8Å; N215-E218 PolarHBondContact O-N 2.89Å; N215-E218 PolarHBondContact OD1-N 3.02Å; E218-L220 VanDerWaalsContact C-N 3.33Å; E218-S221 CarbonylContact O-C 3.52Å; E218-S221 WeakPolarHBondContact O-CA 2.99Å; E218-S221 WeakPolarHBondContact O-CB 3.32Å; E218-S221 PolarHBondContact O-N 2.67Å; E218-S221 VanDerWaalsContact O-N 3.11Å; E218-F222 PolarHBondContact O-N 2.77Å
219	F	89.9	Confident	86.4	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-37.6	173.6	-170.4	-108.2	0	0	0	111.6	N140 F144 V147 Y160 W202 L214 N215 S221 F222 L223	N140-F219 WeakPolarHBondContact OD1-CD1 3.39Å; F144-F219 HydrophobicContact CB-CD1 4Å; F144-F219 HydrophobicContact CB-CE1 4.33Å; F144-F219 HydrophobicContact CD2-CB 3.71Å; F144-F219 AromaticContact CD2-CD1 3.68Å; F144-F219 HydrophobicContact CD2-CD1 3.68Å; F144-F219 AromaticContact CD2-CG 3.82Å; F144-F219 HydrophobicContact CD2-CG 3.82Å; F144-F219 HydrophobicContact CE2-CB 4.02Å; F144-F219 HydrophobicContact CE2-CG 4.45Å; F144-F219 HydrophobicContact CG-CD1 4.36Å; V147-F219 HydrophobicContact CG1-CZ 4.4Å; V147-F219 HydrophobicContact CG2-CE1 4.02Å; V147-F219 HydrophobicContact CG2-CE2 4.03Å; V147-F219 HydrophobicContact CG2-CZ 3.66Å; Y160-F219 AromaticContact CD2-CE2 3.87Å; Y160-F219 HydrophobicContact CD2-CE2 3.87Å; Y160-F219 HydrophobicContact CD2-CZ 4.35Å; Y160-F219 HydrophobicContact CE2-CE2 4.13Å; Y160-F219 HydrophobicContact CE2-CZ 4.41Å; W202-F219 HydrophobicContact CZ3-CD2 4.39Å; W202-F219 HydrophobicContact CZ3-CE2 4.37Å; L214-F219 HydrophobicContact CB-CB 4.24Å; L214-F219 HydrophobicContact CD1-CD2 4.33Å; N215-F219 VanDerWaalsContact O-CB 3.27Å; N215-F219 WeakPolarHBondContact O-CB 3.27Å; N215-F219 PolarHBondContact O-N 3.26Å; F219-S221 VanDerWaalsContact C-N 3.31Å; F219-S221 PolarHBondContact O-N 2.99Å; F219-F222 HydrophobicContact CD2-CD1 4.1Å; F219-F222 AromaticContact CE2-CD1 3.95Å; F219-F222 HydrophobicContact CE2-CD1 3.95Å; F219-F222 HydrophobicContact CE2-CE1 4.29Å; F219-F222 WeakPolarHBondContact O-CB 2.84Å; F219-F222 PolarHBondContact O-N 3.41Å; F219-L223 HydrophobicContact CD1-CD1 4.05Å; F219-L223 HydrophobicContact CD1-CG 4.48Å; F219-L223 HydrophobicContact CE1-CD1 3.41Å; F219-L223 VanDerWaalsContact CE1-CD1 3.41Å; F219-L223 HydrophobicContact CE1-CG 4.05Å; F219-L223 HydrophobicContact CZ-CD1 3.78Å; F219-L223 HydrophobicContact CZ-CD2 4.36Å; F219-L223 HydrophobicContact CZ-CG 4.08Å; F219-L223 PolarHBondContact O-N 2.94Å
220	L	88.8	Confident	86.8	Confident	10 Å²	10	47 Å²	47	5%	0.052	25%	0.25	C	C	.	.	H	α-helix	trans	-59.3	-44.5	168.9	179.1	65.9	0	0	0	110.9	A136 V137 N140 E216 E217 E218 F222 L223 H224 H227	A136-L220 HydrophobicContact CB-CD1 4.44Å; V137-L220 HydrophobicContact CG2-CD1 4.4Å; V137-L220 HydrophobicContact CG2-CD2 3.72Å; N140-L220 HydrophobicContact CB-CB 4.48Å; N140-L220 HydrophobicContact CB-CD1 3.61Å; N140-L220 VanDerWaalsContact OD1-CA 3.3Å; N140-L220 WeakPolarHBondContact OD1-CA 3.27Å; N140-L220 PolarHBondContact OD1-N 3.45Å; E216-L220 WeakPolarHBondContact O-CB 3.5Å; E216-L220 PolarHBondContact O-N 3.47Å; E217-L220 WeakPolarHBondContact O-CB 3.18Å; E217-L220 PolarHBondContact O-N 2.94Å; E218-L220 VanDerWaalsContact C-N 3.33Å; L220-F222 PolarHBondContact O-N 2.89Å; L220-L223 PolarHBondContact O-N 3.23Å; L220-H224 HydrophobicContact CD1-CB 4.14Å; L220-H224 CarbonylContact O-C 3.55Å; L220-H224 WeakPolarHBondContact O-CA 3.21Å; L220-H224 WeakPolarHBondContact O-CB 3.09Å; L220-H224 PolarHBondContact O-N 2.76Å; L220-H227 HydrophobicContact CD2-CB 4.49Å; L220-H227 HydrophobicContact CG-CB 4.48Å
221	S	88.7	Confident	86.9	Confident	11 Å²	11	43.5 Å²	43.5	8%	0.077	22%	0.221	C	C	.	.	H	α-helix	trans	-65.6	-28.7	177.9	-56.5	0	0	0	0	112.8	E217 E218 F219 P225 S228	E217-S221 PolarHBondContact O-N 3.24Å; E217-S221 PolarHBondContact O-OG 2.73Å; E218-S221 CarbonylContact O-C 3.52Å; E218-S221 WeakPolarHBondContact O-CA 2.99Å; E218-S221 WeakPolarHBondContact O-CB 3.32Å; E218-S221 PolarHBondContact O-N 2.67Å; E218-S221 VanDerWaalsContact O-N 3.11Å; F219-S221 VanDerWaalsContact C-N 3.31Å; F219-S221 PolarHBondContact O-N 2.99Å; S221-P225 WeakPolarHBondContact O-CA 3.5Å; S221-S228 VanDerWaalsContact OG-CB 3.23Å; S221-S228 WeakPolarHBondContact OG-CB 3.36Å; S221-S228 PolarHBondContact OG-OG 3.25Å
222	F	88.5	Confident	86.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.2	-45.4	175.9	167.2	-100.6	0	0	0	112.1	P56 Y160 L198 R201 W202 A205 L214 E218 F219 L220	P56-F222 HydrophobicContact CG-CD1 4.21Å; P56-F222 HydrophobicContact CG-CE1 3.67Å; P56-F222 HydrophobicContact CG-CE2 4.06Å; P56-F222 HydrophobicContact CG-CZ 3.59Å; Y160-F222 HydrophobicContact CD2-CE1 4.28Å; Y160-F222 HydrophobicContact CE1-CE1 4.24Å; Y160-F222 AromaticContact CE1-CZ 3.94Å; Y160-F222 HydrophobicContact CE1-CZ 3.94Å; Y160-F222 AromaticContact CE2-CE1 3.52Å; Y160-F222 HydrophobicContact CE2-CE1 3.52Å; Y160-F222 HydrophobicContact CE2-CZ 4.07Å; Y160-F222 AromaticContact CZ-CE1 3.53Å; Y160-F222 AromaticContact CZ-CZ 3.61Å; L198-F222 HydrophobicContact CD2-CE2 4.46Å; L198-F222 HydrophobicContact CD2-CZ 4.07Å; R201-F222 HydrophobicContact CB-CD2 4.3Å; R201-F222 HydrophobicContact CB-CE2 4.16Å; R201-F222 WeakPolarHBondContact CD-O 3.42Å; R201-F222 HydrophobicContact CG-CD2 3.88Å; R201-F222 HydrophobicContact CG-CE2 4.14Å; W202-F222 HydrophobicContact CB-CD2 4.42Å; W202-F222 HydrophobicContact CB-CE2 4.28Å; W202-F222 HydrophobicContact CE3-CD2 4.33Å; W202-F222 HydrophobicContact CE3-CE1 4.44Å; W202-F222 HydrophobicContact CE3-CE2 4.19Å; W202-F222 HydrophobicContact CE3-CZ 4.24Å; A205-F222 HydrophobicContact CB-CB 3.76Å; L214-F222 HydrophobicContact CD1-CB 3.89Å; L214-F222 HydrophobicContact CD1-CG 4.16Å; E218-F222 PolarHBondContact O-N 2.77Å; F219-F222 HydrophobicContact CD2-CD1 4.1Å; F219-F222 AromaticContact CE2-CD1 3.95Å; F219-F222 HydrophobicContact CE2-CD1 3.95Å; F219-F222 HydrophobicContact CE2-CE1 4.29Å; F219-F222 WeakPolarHBondContact O-CB 2.84Å; F219-F222 PolarHBondContact O-N 3.41Å; L220-F222 PolarHBondContact O-N 2.89Å
223	L	86.4	Confident	87	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-77.1	-42.4	177.9	-67.9	-176.7	0	0	0	112.4	I54 P56 P57 F219 L220 P225	I54-L223 WeakPolarHBondContact O-CD2 3.42Å; P56-L223 HydrophobicContact CG-CD2 4.12Å; P57-L223 WeakPolarHBondContact CD-O 3.1Å; F219-L223 HydrophobicContact CD1-CD1 4.05Å; F219-L223 HydrophobicContact CD1-CG 4.48Å; F219-L223 HydrophobicContact CE1-CD1 3.41Å; F219-L223 VanDerWaalsContact CE1-CD1 3.41Å; F219-L223 HydrophobicContact CE1-CG 4.05Å; F219-L223 HydrophobicContact CZ-CD1 3.78Å; F219-L223 HydrophobicContact CZ-CD2 4.36Å; F219-L223 HydrophobicContact CZ-CG 4.08Å; F219-L223 PolarHBondContact O-N 2.94Å; L220-L223 PolarHBondContact O-N 3.23Å; L223-P225 WeakPolarHBondContact O-CD 3.22Å
224	H	85.3	Confident	86.8	Confident	22 Å²	22	37 Å²	37	10%	0.102	19%	0.185	C	C	.	.			trans	-122.5	75	-174.3	-65.2	-75.8	0	0	0	110.1	A136 L220 E226 H227	A136-H224 HydrophobicContact CB-CB 4.22Å; L220-H224 HydrophobicContact CD1-CB 4.14Å; L220-H224 CarbonylContact O-C 3.55Å; L220-H224 WeakPolarHBondContact O-CA 3.21Å; L220-H224 WeakPolarHBondContact O-CB 3.09Å; L220-H224 PolarHBondContact O-N 2.76Å; H224-E226 VanDerWaalsContact CA-OE2 3.24Å; H224-E226 WeakPolarHBondContact CA-OE2 3.37Å; H224-E226 WeakPolarHBondContact CB-OE1 3.13Å; H224-E226 IonicContact CG-OE1 2.88Å; H224-E226 IonicContact ND1-OE1 3.47Å; H224-E226 PolarHBondContact ND1-OE1 2.97Å; H224-E226 PolarHBondContact O-N 2.99Å; H224-E226 VanDerWaalsContact O-N 3.16Å; H224-H227 HydrophobicContact CB-CB 4.45Å; H224-H227 WeakPolarHBondContact O-CB 3.45Å; H224-H227 PolarHBondContact O-N 3.31Å
225	P	84.1	Confident	86.5	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-57.7	-27.6	-179.2	27.8	-39	0	0	0	113.2	L60 S221 L223 H227 S228 M231 M235	L60-P225 HydrophobicContact CD1-CB 4.47Å; L60-P225 HydrophobicContact CD1-CG 3.55Å; L60-P225 HydrophobicContact CD2-CG 3.31Å; L60-P225 HydrophobicContact CG-CG 4.06Å; S221-P225 WeakPolarHBondContact O-CA 3.5Å; L223-P225 WeakPolarHBondContact O-CD 3.22Å; P225-H227 PolarHBondContact O-N 3.43Å; P225-S228 PolarHBondContact O-N 2.74Å; P225-S228 VanDerWaalsContact O-N 3.09Å; P225-S228 VanDerWaalsContact O-O 3.12Å; P225-M231 HydrophobicContact CB-CB 3.95Å; P225-M231 HydrophobicContact CB-CG 3.17Å; P225-M235 HydrophobicContact CB-CE 3.95Å; P225-M235 HydrophobicContact CB-CG 4.5Å; P225-M235 HydrophobicContact CB-SD 3.61Å; P225-M235 HydrophobicContact CG-CE 4.27Å; P225-M235 HydrophobicContact CG-SD 3.71Å
226	E	81.8	Confident	86.4	Confident	5 Å²	5	34.7 Å²	34.7	2%	0.023	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-57.9	-25.6	174.5	67	-82.6	-166.8	0	0	113.7	V63 H132 F133 H224 S228 P307	V63-E226 HydrophobicContact CG2-CB 4.07Å; H132-E226 IonicContact NE2-OE1 3.21Å; F133-E226 HydrophobicContact CD1-CG 4.45Å; F133-E226 HydrophobicContact CE1-CB 4.2Å; F133-E226 HydrophobicContact CE1-CG 3.66Å; F133-E226 HydrophobicContact CZ-CB 4.21Å; F133-E226 HydrophobicContact CZ-CG 4.08Å; F133-E226 WeakPolarHBondContact CZ-O 3.43Å; H224-E226 VanDerWaalsContact CA-OE2 3.24Å; H224-E226 WeakPolarHBondContact CA-OE2 3.37Å; H224-E226 WeakPolarHBondContact CB-OE1 3.13Å; H224-E226 IonicContact CG-OE1 2.88Å; H224-E226 IonicContact ND1-OE1 3.47Å; H224-E226 PolarHBondContact ND1-OE1 2.97Å; H224-E226 PolarHBondContact O-N 2.99Å; H224-E226 VanDerWaalsContact O-N 3.16Å; E226-S228 VanDerWaalsContact C-N 3.35Å; E226-P307 HydrophobicContact CB-CG 4.5Å
227	H	80.7	Confident	86.4	Confident	73 Å²	73	35.6 Å²	35.6	34%	0.338	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-81.2	-17.1	179.5	-164.3	-79.3	0	0	0	112.5	F133 L220 H224 P225	F133-H227 AromaticContact CD2-CD2 3.91Å; L220-H227 HydrophobicContact CD2-CB 4.49Å; L220-H227 HydrophobicContact CG-CB 4.48Å; H224-H227 HydrophobicContact CB-CB 4.45Å; H224-H227 WeakPolarHBondContact O-CB 3.45Å; H224-H227 PolarHBondContact O-N 3.31Å; P225-H227 PolarHBondContact O-N 3.43Å
228	S	84.4	Confident	86.2	Confident	23 Å²	23	29.9 Å²	29.9	16%	0.161	15%	0.149	C	C	.	.			trans	-117.6	118.5	-173	-177.6	0	0	0	0	112.1	S221 P225 E226 G230 M231 L232	S221-S228 VanDerWaalsContact OG-CB 3.23Å; S221-S228 WeakPolarHBondContact OG-CB 3.36Å; S221-S228 PolarHBondContact OG-OG 3.25Å; P225-S228 PolarHBondContact O-N 2.74Å; P225-S228 VanDerWaalsContact O-N 3.09Å; P225-S228 VanDerWaalsContact O-O 3.12Å; E226-S228 VanDerWaalsContact C-N 3.35Å; S228-G230 PolarHBondContact O-N 3.05Å; S228-M231 PolarHBondContact O-N 3.33Å; S228-M231 VanDerWaalsContact O-N 3.08Å; S228-L232 PolarHBondContact O-N 3.07Å
229	K	84.1	Confident	85.9	Confident	165 Å²	165	29 Å²	29	72%	0.717	14%	0.144	S	C	*	.	H	α-helix	trans	-57.3	-33.2	174.4	-66.6	-169	174.8	-165.2	0	112.9	K233	K229-K233 VanDerWaalsContact O-CB 3.3Å; K229-K233 WeakPolarHBondContact O-CB 3.43Å; K229-K233 PolarHBondContact O-N 3.39Å
230	G	84.8	Confident	85.7	Confident	40 Å²	40	29.6 Å²	29.6	41%	0.412	15%	0.148	S	C	.	.	H	α-helix	trans	-66	-45	177.1	0	0	0	0	0	111.6	S228 K233 Y234	S228-G230 PolarHBondContact O-N 3.05Å; G230-K233 PolarHBondContact O-N 3.15Å; G230-Y234 PolarHBondContact O-N 3.41Å
231	M	85.4	Confident	85.6	Confident	3 Å²	3	34.6 Å²	34.6	2%	0.015	17%	0.166	C	C	.	.	H	α-helix	trans	-73.4	-40.7	179.5	-166.9	58.8	70.6	0	0	112	R201 Q204 A205 P225 S228 K233 Y234 M235	R201-M231 HydrophobicContact CG-CE 4.41Å; R201-M231 HydrophobicContact CG-SD 4.45Å; Q204-M231 HydrophobicContact CB-CE 3.95Å; Q204-M231 HydrophobicContact CB-SD 4.21Å; A205-M231 HydrophobicContact CB-CE 3.56Å; A205-M231 VanDerWaalsContact N-CE 3.28Å; P225-M231 HydrophobicContact CB-CB 3.95Å; P225-M231 HydrophobicContact CB-CG 3.17Å; S228-M231 PolarHBondContact O-N 3.33Å; S228-M231 VanDerWaalsContact O-N 3.08Å; M231-K233 VanDerWaalsContact C-N 3.29Å; M231-K233 PolarHBondContact O-N 2.79Å; M231-Y234 CarbonylContact O-C 3.56Å; M231-Y234 WeakPolarHBondContact O-CA 3.43Å; M231-Y234 WeakPolarHBondContact O-CB 3.44Å; M231-Y234 PolarHBondContact O-N 3.41Å; M231-Y234 HydrophobicContact SD-CD1 3.69Å; M231-Y234 HydrophobicContact SD-CG 4.25Å; M231-M235 WeakPolarHBondContact O-CG 3.45Å; M231-M235 PolarHBondContact O-N 2.88Å
232	L	86.4	Confident	85.3	Confident	15 Å²	15	36.7 Å²	36.7	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-51.7	-48.1	168.6	-79.5	165.3	0	0	0	111.9	S228 Y234 M235 V236 M305	S228-L232 PolarHBondContact O-N 3.07Å; L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 2.84Å; L232-M235 HydrophobicContact CB-CE 4.33Å; L232-M235 HydrophobicContact CD2-CE 3.23Å; L232-M235 HydrophobicContact CG-CE 3.95Å; L232-M235 PolarHBondContact O-N 3.24Å; L232-V236 WeakPolarHBondContact O-CG2 3.22Å; L232-V236 PolarHBondContact O-N 3.21Å; L232-M305 HydrophobicContact CD2-CB 4.43Å
233	K	88.6	Confident	85	Confident	76 Å²	76	36.9 Å²	36.9	33%	0.33	18%	0.178	S	C	.	.	H	α-helix	trans	-61.6	-35.5	175.3	-179.8	173.1	-163	86.5	0	112.5	K229 G230 M231 K237 M298 E302	K229-K233 VanDerWaalsContact O-CB 3.3Å; K229-K233 WeakPolarHBondContact O-CB 3.43Å; K229-K233 PolarHBondContact O-N 3.39Å; G230-K233 PolarHBondContact O-N 3.15Å; M231-K233 VanDerWaalsContact C-N 3.29Å; M231-K233 PolarHBondContact O-N 2.79Å; K233-K237 WeakPolarHBondContact O-CG 3.43Å; K233-K237 PolarHBondContact O-N 2.99Å; K233-M298 HydrophobicContact CG-CE 3.86Å; K233-M298 WeakPolarHBondContact O-CE 3.27Å; K233-E302 WeakPolarHBondContact CG-OE1 3.25Å; K233-E302 IonicContact NZ-OE1 3.92Å; K233-E302 PolarHBondContact NZ-OE1 3.38Å; K233-E302 IonicContact NZ-OE2 2.8Å; K233-E302 PolarHBondContact NZ-OE2 2.94Å
234	Y	86.3	Confident	85	Confident	23 Å²	23	37.8 Å²	37.8	9%	0.09	18%	0.183	C	C	.	.	H	α-helix	trans	-65.6	-47.3	174.1	170.4	-101.2	0	0	0	111.5	D200 Q204 G230 M231 L232 V236 K237 E238	D200-Y234 PolarHBondContact OD2-OH 2.84Å; Q204-Y234 HydrophobicContact CB-CD1 4.21Å; Q204-Y234 HydrophobicContact CB-CD2 4.14Å; Q204-Y234 HydrophobicContact CB-CE1 4.41Å; Q204-Y234 HydrophobicContact CB-CE2 4.37Å; Q204-Y234 HydrophobicContact CB-CG 4.06Å; Q204-Y234 VanDerWaalsContact CD-CD2 3.46Å; Q204-Y234 HydrophobicContact CG-CD1 4.14Å; Q204-Y234 HydrophobicContact CG-CD2 3.58Å; Q204-Y234 HydrophobicContact CG-CE1 3.96Å; Q204-Y234 HydrophobicContact CG-CE2 3.39Å; Q204-Y234 HydrophobicContact CG-CG 3.96Å; G230-Y234 PolarHBondContact O-N 3.41Å; M231-Y234 CarbonylContact O-C 3.56Å; M231-Y234 WeakPolarHBondContact O-CA 3.43Å; M231-Y234 WeakPolarHBondContact O-CB 3.44Å; M231-Y234 PolarHBondContact O-N 3.41Å; M231-Y234 HydrophobicContact SD-CD1 3.69Å; M231-Y234 HydrophobicContact SD-CG 4.25Å; L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 2.84Å; Y234-V236 VanDerWaalsContact C-N 3.29Å; Y234-V236 PolarHBondContact O-N 3.18Å; Y234-K237 WeakPolarHBondContact O-CA 3.37Å; Y234-K237 WeakPolarHBondContact O-CB 3.21Å; Y234-K237 PolarHBondContact O-N 3.02Å; Y234-E238 HydrophobicContact CD1-CG 4.38Å; Y234-E238 HydrophobicContact CD2-CG 4.46Å; Y234-E238 HydrophobicContact CE1-CG 3.77Å; Y234-E238 HydrophobicContact CE2-CG 3.85Å; Y234-E238 VanDerWaalsContact CZ-CG 3.47Å; Y234-E238 PolarHBondContact O-N 2.87Å; Y234-E238 PolarHBondContact OH-OE2 3.18Å
235	M	84.6	Confident	84.9	Confident	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-57.3	-44	177.1	-60.9	-170.9	-61.5	0	0	111.8	L60 M67 P225 M231 L232 K237 E238 I239	L60-M235 HydrophobicContact CD1-CE 3.42Å; L60-M235 VanDerWaalsContact CD1-CE 3.42Å; L60-M235 HydrophobicContact CD1-SD 3.28Å; L60-M235 WeakPolarHBondContact CD1-SD 3.39Å; M67-M235 HydrophobicContact CE-CB 4.44Å; M67-M235 HydrophobicContact CE-CG 3.82Å; M67-M235 HydrophobicContact CE-SD 4.22Å; M67-M235 HydrophobicContact SD-CB 4.29Å; M67-M235 HydrophobicContact SD-CG 3.57Å; M67-M235 VanDerWaalsContact SD-CG 3.57Å; M67-M235 HydrophobicContact SD-SD 3.16Å; P225-M235 HydrophobicContact CB-CE 3.95Å; P225-M235 HydrophobicContact CB-CG 4.5Å; P225-M235 HydrophobicContact CB-SD 3.61Å; P225-M235 HydrophobicContact CG-CE 4.27Å; P225-M235 HydrophobicContact CG-SD 3.71Å; M231-M235 WeakPolarHBondContact O-CG 3.45Å; M231-M235 PolarHBondContact O-N 2.88Å; L232-M235 HydrophobicContact CB-CE 4.33Å; L232-M235 HydrophobicContact CD2-CE 3.23Å; L232-M235 HydrophobicContact CG-CE 3.95Å; L232-M235 PolarHBondContact O-N 3.24Å; M235-K237 VanDerWaalsContact C-N 3.27Å; M235-K237 PolarHBondContact O-N 2.8Å; M235-E238 PolarHBondContact O-N 3Å; M235-E238 VanDerWaalsContact O-N 3.12Å; M235-I239 WeakPolarHBondContact O-CG1 3.44Å; M235-I239 PolarHBondContact O-N 2.88Å
236	V	88.1	Confident	85	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59	-39.2	175.2	172.7	0	0	0	0	111.5	L232 Y234 V240 M298 L301 E302 M305	L232-V236 WeakPolarHBondContact O-CG2 3.22Å; L232-V236 PolarHBondContact O-N 3.21Å; Y234-V236 VanDerWaalsContact C-N 3.29Å; Y234-V236 PolarHBondContact O-N 3.18Å; V236-V240 HydrophobicContact CG1-CG2 4.42Å; V236-V240 WeakPolarHBondContact O-CB 3.3Å; V236-V240 VanDerWaalsContact O-CG2 3.25Å; V236-V240 WeakPolarHBondContact O-CG2 3.25Å; V236-V240 PolarHBondContact O-N 2.82Å; V236-M298 HydrophobicContact CB-CE 4.3Å; V236-M298 HydrophobicContact CG1-CE 3.99Å; V236-M298 HydrophobicContact CG1-CG 3.74Å; V236-L301 HydrophobicContact CG1-CB 3.91Å; V236-L301 HydrophobicContact CG1-CD2 3.91Å; V236-L301 HydrophobicContact CG1-CG 3.92Å; V236-L301 HydrophobicContact CG2-CG 4.32Å; V236-E302 HydrophobicContact CB-CG 4.21Å; V236-E302 HydrophobicContact CG1-CG 4.11Å; V236-E302 HydrophobicContact CG2-CG 4.01Å; V236-M305 HydrophobicContact CG2-CB 4.23Å; V236-M305 HydrophobicContact CG2-CG 4Å
237	K	88.2	Confident	85.2	Confident	105 Å²	105	50.1 Å²	50.1	46%	0.457	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-40.9	175.6	-68.1	174.9	-170.2	164.7	0	112.1	K233 Y234 M235 V240 R241 M298	K233-K237 WeakPolarHBondContact O-CG 3.43Å; K233-K237 PolarHBondContact O-N 2.99Å; Y234-K237 WeakPolarHBondContact O-CA 3.37Å; Y234-K237 WeakPolarHBondContact O-CB 3.21Å; Y234-K237 PolarHBondContact O-N 3.02Å; M235-K237 VanDerWaalsContact C-N 3.27Å; M235-K237 PolarHBondContact O-N 2.8Å; K237-V240 PolarHBondContact O-N 3.17Å; K237-R241 VanDerWaalsContact O-CB 3.28Å; K237-R241 WeakPolarHBondContact O-CB 3.37Å; K237-R241 PolarHBondContact O-N 3.48Å; K237-M298 HydrophobicContact CB-CE 4.29Å; K237-M298 HydrophobicContact CD-CE 4.09Å; K237-M298 HydrophobicContact CG-CE 3.16Å; K237-M298 HydrophobicContact CG-SD 4.19Å
238	E	84.6	Confident	85.6	Confident	27 Å²	27	50.2 Å²	50.2	13%	0.126	26%	0.261	C	S	.	.	H	α-helix	trans	-66.3	-46.5	179.4	-66.6	-64.9	94.4	0	0	110.4	R33 Y234 M235 V240 R241 D242	R33-E238 IonicContact NH1-OE2 2.72Å; Y234-E238 HydrophobicContact CD1-CG 4.38Å; Y234-E238 HydrophobicContact CD2-CG 4.46Å; Y234-E238 HydrophobicContact CE1-CG 3.77Å; Y234-E238 HydrophobicContact CE2-CG 3.85Å; Y234-E238 VanDerWaalsContact CZ-CG 3.47Å; Y234-E238 PolarHBondContact O-N 2.87Å; Y234-E238 PolarHBondContact OH-OE2 3.18Å; M235-E238 PolarHBondContact O-N 3Å; M235-E238 VanDerWaalsContact O-N 3.12Å; E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 3.27Å; E238-R241 VanDerWaalsContact CD-CZ 3.46Å; E238-R241 WeakPolarHBondContact O-CB 3.28Å; E238-R241 PolarHBondContact O-N 2.87Å; E238-R241 VanDerWaalsContact O-N 3.1Å; E238-R241 IonicContact OE1-CZ 2.68Å; E238-R241 VanDerWaalsContact OE1-CZ 3.3Å; E238-R241 IonicContact OE1-NE 3.76Å; E238-R241 IonicContact OE1-NH1 2.78Å; E238-R241 PolarHBondContact OE1-NH1 3.2Å; E238-R241 IonicContact OE1-NH2 3.9Å; E238-R241 IonicContact OE2-CZ 2.61Å; E238-R241 IonicContact OE2-NH1 2.57Å; E238-R241 PolarHBondContact OE2-NH1 2.81Å; E238-R241 IonicContact OE2-NH2 3.08Å; E238-R241 PolarHBondContact OE2-NH2 2.88Å; E238-D242 VanDerWaalsContact O-CG 3.28Å; E238-D242 PolarHBondContact O-N 3.3Å
239	I	83.8	Confident	85.7	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.015	29%	0.287	C	S	.	.	H	α-helix	trans	-57.3	-47.2	175.3	-66.2	168.6	0	0	0	110.6	L65 M235 D242 L243 L301 M305	L65-I239 HydrophobicContact CB-CD1 4.3Å; L65-I239 HydrophobicContact CD1-CD1 4.46Å; M235-I239 WeakPolarHBondContact O-CG1 3.44Å; M235-I239 PolarHBondContact O-N 2.88Å; I239-D242 PolarHBondContact O-N 3.01Å; I239-L243 HydrophobicContact CG2-CD1 3.72Å; I239-L243 HydrophobicContact CG2-CG 4.48Å; I239-L243 WeakPolarHBondContact O-CB 3.27Å; I239-L243 VanDerWaalsContact O-CG 3.32Å; I239-L243 WeakPolarHBondContact O-CG 3.25Å; I239-L243 PolarHBondContact O-N 3.5Å; I239-L243 VanDerWaalsContact O-N 3.11Å; I239-L301 HydrophobicContact CG2-CD2 4.09Å; I239-M305 HydrophobicContact CD1-CE 3.98Å
240	V	87.4	Confident	85.9	Confident	13 Å²	13	52.5 Å²	52.5	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-45.5	176.5	173.4	0	0	0	0	110.3	V236 K237 E238 D242 L243 D244 L251 L301	V236-V240 HydrophobicContact CG1-CG2 4.42Å; V236-V240 WeakPolarHBondContact O-CB 3.3Å; V236-V240 VanDerWaalsContact O-CG2 3.25Å; V236-V240 WeakPolarHBondContact O-CG2 3.25Å; V236-V240 PolarHBondContact O-N 2.82Å; K237-V240 PolarHBondContact O-N 3.17Å; E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 3.27Å; V240-D242 PolarHBondContact O-N 3.12Å; V240-L243 PolarHBondContact O-N 2.89Å; V240-D244 HydrophobicContact CG1-CB 4.12Å; V240-D244 WeakPolarHBondContact O-CA 3.33Å; V240-D244 WeakPolarHBondContact O-CB 3.18Å; V240-D244 PolarHBondContact O-N 2.89Å; V240-L251 HydrophobicContact CG1-CD2 4.43Å; V240-L251 HydrophobicContact CG2-CD1 4.08Å; V240-L251 HydrophobicContact CG2-CG 4.35Å; V240-L301 HydrophobicContact CG2-CD2 3.94Å
241	R	86	Confident	86	Confident	115 Å²	115	50.7 Å²	50.7	43%	0.434	25%	0.249	S	C	.	.	H	α-helix	trans	-59.1	-37	-179.9	-173.1	-166.9	71.1	-159.3	-6.1	112.7	K237 E238	K237-R241 VanDerWaalsContact O-CB 3.28Å; K237-R241 WeakPolarHBondContact O-CB 3.37Å; K237-R241 PolarHBondContact O-N 3.48Å; E238-R241 VanDerWaalsContact CD-CZ 3.46Å; E238-R241 WeakPolarHBondContact O-CB 3.28Å; E238-R241 PolarHBondContact O-N 2.87Å; E238-R241 VanDerWaalsContact O-N 3.1Å; E238-R241 IonicContact OE1-CZ 2.68Å; E238-R241 VanDerWaalsContact OE1-CZ 3.3Å; E238-R241 IonicContact OE1-NE 3.76Å; E238-R241 IonicContact OE1-NH1 2.78Å; E238-R241 PolarHBondContact OE1-NH1 3.2Å; E238-R241 IonicContact OE1-NH2 3.9Å; E238-R241 IonicContact OE2-CZ 2.61Å; E238-R241 IonicContact OE2-NH1 2.57Å; E238-R241 PolarHBondContact OE2-NH1 2.81Å; E238-R241 IonicContact OE2-NH2 3.08Å; E238-R241 PolarHBondContact OE2-NH2 2.88Å
242	D	82.3	Confident	86.2	Confident	55 Å²	55	52.8 Å²	52.8	29%	0.294	26%	0.263	S	S	.	.	H	α-helix	trans	-83.6	-23	-174.7	-64.5	-6.5	0	0	0	112.3	E238 I239 V240	E238-D242 VanDerWaalsContact O-CG 3.28Å; E238-D242 PolarHBondContact O-N 3.3Å; I239-D242 PolarHBondContact O-N 3.01Å; V240-D242 PolarHBondContact O-N 3.12Å
243	L	82.3	Confident	86.1	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-98.8	-29.6	178.1	-63.3	177.5	0	0	0	114.2	I239 V240 Q245 L251 E255 F256 P260	I239-L243 HydrophobicContact CG2-CD1 3.72Å; I239-L243 HydrophobicContact CG2-CG 4.48Å; I239-L243 WeakPolarHBondContact O-CB 3.27Å; I239-L243 VanDerWaalsContact O-CG 3.32Å; I239-L243 WeakPolarHBondContact O-CG 3.25Å; I239-L243 PolarHBondContact O-N 3.5Å; I239-L243 VanDerWaalsContact O-N 3.11Å; V240-L243 PolarHBondContact O-N 2.89Å; L243-Q245 PolarHBondContact O-N 3.27Å; L243-L251 HydrophobicContact CB-CD1 4.32Å; L243-L251 HydrophobicContact CB-CD2 3.69Å; L243-L251 HydrophobicContact CD1-CD1 4.03Å; L243-E255 WeakPolarHBondContact O-CB 3.29Å; L243-F256 HydrophobicContact CD1-CD2 4.33Å; L243-P260 HydrophobicContact CD2-CG 4.23Å
244	D	86.2	Confident	85.9	Confident	25 Å²	25	54.1 Å²	54.1	13%	0.134	28%	0.279	C	S	.	.			trans	-71.9	105.3	-178	178.7	7.2	0	0	0	110.5	V240 D246 G247 D248 K249 L251	V240-D244 HydrophobicContact CG1-CB 4.12Å; V240-D244 WeakPolarHBondContact O-CA 3.33Å; V240-D244 WeakPolarHBondContact O-CB 3.18Å; V240-D244 PolarHBondContact O-N 2.89Å; D244-D246 PolarHBondContact OD1-N 2.77Å; D244-G247 VanDerWaalsContact OD1-CA 3.3Å; D244-G247 WeakPolarHBondContact OD1-CA 3.22Å; D244-G247 PolarHBondContact OD1-N 3.14Å; D244-G247 VanDerWaalsContact OD2-C 3.25Å; D244-G247 VanDerWaalsContact OD2-CA 3.24Å; D244-G247 WeakPolarHBondContact OD2-CA 3.39Å; D244-D248 PolarHBondContact OD1-N 3.29Å; D244-D248 PolarHBondContact OD2-N 3.46Å; D244-K249 VanDerWaalsContact OD2-CA 3.26Å; D244-K249 WeakPolarHBondContact OD2-CA 3.36Å; D244-K249 PolarHBondContact OD2-N 3.46Å; D244-L251 HydrophobicContact CB-CD2 4.09Å
245	Q	83.5	Confident	85.8	Confident	124 Å²	124	53.5 Å²	53.5	58%	0.579	28%	0.277	S	S	*	.	S	Bend	trans	-88.9	-27.6	-175.1	-67.6	-178.7	8.6	0	0	112.2	L243 E255	L243-Q245 PolarHBondContact O-N 3.27Å; Q245-E255 HydrophobicContact CB-CG 4.41Å; Q245-E255 HydrophobicContact CG-CG 4.38Å; Q245-E255 PolarHBondContact N-OE1 3.45Å
246	D	85.8	Confident	85.7	Confident	107 Å²	107	53.4 Å²	53.4	57%	0.572	28%	0.277	S	S	*	.	S	Bend	trans	-99.3	-10.5	-176.5	79.9	8.3	0	0	0	114	D244 D248	D244-D246 PolarHBondContact OD1-N 2.77Å; D246-D248 VanDerWaalsContact OD1-CB 3.25Å; D246-D248 WeakPolarHBondContact OD1-CB 3.46Å; D246-D248 PolarHBondContact OD1-N 3.21Å
247	G	86.3	Confident	85.2	Confident	55 Å²	55	55.4 Å²	55.4	57%	0.567	29%	0.287	S	S	*	.	S	Bend	trans	79.6	16.5	174	0	0	0	0	0	114	D244 K249	D244-G247 VanDerWaalsContact OD1-CA 3.3Å; D244-G247 WeakPolarHBondContact OD1-CA 3.22Å; D244-G247 PolarHBondContact OD1-N 3.14Å; D244-G247 VanDerWaalsContact OD2-C 3.25Å; D244-G247 VanDerWaalsContact OD2-CA 3.24Å; D244-G247 WeakPolarHBondContact OD2-CA 3.39Å; G247-K249 VanDerWaalsContact C-N 3.29Å
248	D	88.8	Confident	84.5	Confident	74 Å²	74	51.9 Å²	51.9	40%	0.396	28%	0.275	S	S	.	.	S	Bend	trans	-84.3	-3	-178.4	89.2	-11	0	0	0	114	D244 D246 K250	D244-D248 PolarHBondContact OD1-N 3.29Å; D244-D248 PolarHBondContact OD2-N 3.46Å; D246-D248 VanDerWaalsContact OD1-CB 3.25Å; D246-D248 WeakPolarHBondContact OD1-CB 3.46Å; D246-D248 PolarHBondContact OD1-N 3.21Å; D248-K250 PolarHBondContact O-N 3.19Å; D248-K250 WeakPolarHBondContact OD1-CA 3.35Å; D248-K250 VanDerWaalsContact OD1-CB 3.23Å; D248-K250 WeakPolarHBondContact OD1-CB 3.48Å; D248-K250 PolarHBondContact OD1-N 3.46Å; D248-K250 VanDerWaalsContact OD1-O 3.11Å
249	K	86.5	Confident	83.4	Confident	159 Å²	159	54.2 Å²	54.2	69%	0.691	29%	0.288	S	S	*	.	S	Bend	trans	64.2	20.9	-178.7	-52.6	-180	178.7	-177	0	114.4	D244 G247	D244-K249 VanDerWaalsContact OD2-CA 3.26Å; D244-K249 WeakPolarHBondContact OD2-CA 3.36Å; D244-K249 PolarHBondContact OD2-N 3.46Å; G247-K249 VanDerWaalsContact C-N 3.29Å
250	K	88.3	Confident	82	Confident	78 Å²	78	54.8 Å²	54.8	34%	0.339	29%	0.292	S	S	.	.			trans	-121.1	142.5	173.6	-63.6	159	164.3	-77.4	0	107.3	D248 I295	D248-K250 PolarHBondContact O-N 3.19Å; D248-K250 WeakPolarHBondContact OD1-CA 3.35Å; D248-K250 VanDerWaalsContact OD1-CB 3.23Å; D248-K250 WeakPolarHBondContact OD1-CB 3.48Å; D248-K250 PolarHBondContact OD1-N 3.46Å; D248-K250 VanDerWaalsContact OD1-O 3.11Å; K250-I295 HydrophobicContact CB-CG2 3.52Å; K250-I295 HydrophobicContact CD-CG2 4.14Å; K250-I295 HydrophobicContact CG-CG2 4.01Å
251	L	87.3	Confident	80.1	Confident	1 Å²	1	61 Å²	61	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	111.9	178.4	-62.9	179.9	0	0	0	109.1	V240 L243 D244 E255 F256 V296 L301	V240-L251 HydrophobicContact CG1-CD2 4.43Å; V240-L251 HydrophobicContact CG2-CD1 4.08Å; V240-L251 HydrophobicContact CG2-CG 4.35Å; L243-L251 HydrophobicContact CB-CD1 4.32Å; L243-L251 HydrophobicContact CB-CD2 3.69Å; L243-L251 HydrophobicContact CD1-CD1 4.03Å; D244-L251 HydrophobicContact CB-CD2 4.09Å; L251-E255 HydrophobicContact CD2-CB 4.38Å; L251-F256 HydrophobicContact CD1-CD2 4.3Å; L251-V296 HydrophobicContact CB-CB 4.22Å; L251-V296 PolarHBondContact N-O 3.22Å; L251-V296 PolarHBondContact O-N 3.16Å; L251-L301 HydrophobicContact CD1-CD2 4.21Å
252	T	88.3	Confident	78.1	Confident	48 Å²	48	58.4 Å²	58.4	29%	0.294	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	159.6	166.7	64.4	0	0	0	0	110.2	S254 E255 F256	T252-S254 PolarHBondContact O-N 3.31Å; T252-S254 VanDerWaalsContact O-N 3.14Å; T252-E255 WeakPolarHBondContact CB-OE2 3.26Å; T252-E255 WeakPolarHBondContact CG2-OE2 3.41Å; T252-E255 PolarHBondContact N-OE2 2.86Å; T252-E255 PolarHBondContact O-N 2.72Å; T252-E255 WeakPolarHBondContact OG1-CG 3.21Å; T252-E255 PolarHBondContact OG1-N 2.82Å; T252-E255 PolarHBondContact OG1-OE2 3.09Å; T252-F256 PolarHBondContact O-N 3.12Å
253	L	85.3	Confident	76.6	Confident	42 Å²	42	58.5 Å²	58.5	22%	0.22	33%	0.333	C	S	.	.	H	α-helix	trans	-52.9	-37.8	174.5	176.5	64.3	0	0	0	111.9	F256 I257 K281 F284	L253-F256 PolarHBondContact O-N 3.43Å; L253-I257 HydrophobicContact CD1-CG2 3.81Å; L253-I257 HydrophobicContact CG-CG2 4.43Å; L253-I257 VanDerWaalsContact O-CG1 3.26Å; L253-I257 WeakPolarHBondContact O-CG1 3.32Å; L253-I257 WeakPolarHBondContact O-CG2 3.12Å; L253-I257 PolarHBondContact O-N 3.22Å; L253-K281 HydrophobicContact CD1-CB 4.17Å; L253-K281 HydrophobicContact CD1-CG 3.97Å; L253-K281 HydrophobicContact CD2-CD 4.27Å; L253-K281 HydrophobicContact CD2-CG 4.19Å; L253-F284 HydrophobicContact CB-CD1 4.21Å; L253-F284 HydrophobicContact CB-CE1 3.93Å; L253-F284 HydrophobicContact CB-CE2 4.42Å; L253-F284 HydrophobicContact CB-CZ 4.04Å; L253-F284 HydrophobicContact CD1-CB 3.9Å; L253-F284 HydrophobicContact CD1-CD1 3.76Å; L253-F284 HydrophobicContact CD1-CD2 4.24Å; L253-F284 HydrophobicContact CD1-CE1 4.36Å; L253-F284 HydrophobicContact CD1-CG 3.7Å
254	S	83.5	Confident	74.7	Confident	76 Å²	76	64.4 Å²	64.4	53%	0.531	37%	0.369	S	S	.	.	H	α-helix	trans	-65.5	-39.4	179.8	-169	0	0	0	0	112.3	T252 S258	T252-S254 PolarHBondContact O-N 3.31Å; T252-S254 VanDerWaalsContact O-N 3.14Å; S254-S258 WeakPolarHBondContact O-CB 3.37Å; S254-S258 PolarHBondContact O-N 3.36Å; S254-S258 PolarHBondContact O-OG 3.3Å
255	E	84.5	Confident	72.9	Confident	11 Å²	11	71.1 Å²	71.1	5%	0.051	40%	0.4	C	S	.	.	H	α-helix	trans	-72.5	-40.7	176.5	-73	160.7	142.2	0	0	110.8	L243 Q245 L251 T252 I257 S258	L243-E255 WeakPolarHBondContact O-CB 3.29Å; Q245-E255 HydrophobicContact CB-CG 4.41Å; Q245-E255 HydrophobicContact CG-CG 4.38Å; Q245-E255 PolarHBondContact N-OE1 3.45Å; L251-E255 HydrophobicContact CD2-CB 4.38Å; T252-E255 WeakPolarHBondContact CB-OE2 3.26Å; T252-E255 WeakPolarHBondContact CG2-OE2 3.41Å; T252-E255 PolarHBondContact N-OE2 2.86Å; T252-E255 PolarHBondContact O-N 2.72Å; T252-E255 WeakPolarHBondContact OG1-CG 3.21Å; T252-E255 PolarHBondContact OG1-N 2.82Å; T252-E255 PolarHBondContact OG1-OE2 3.09Å; E255-I257 PolarHBondContact O-N 3.01Å; E255-S258 WeakPolarHBondContact O-CB 3.49Å; E255-S258 PolarHBondContact O-N 3.05Å; E255-S258 VanDerWaalsContact O-N 3.1Å
256	F	81.9	Confident	70.9	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-64.6	-40.1	178.8	-168.6	-100.9	0	0	0	112.5	L65 L243 L251 T252 L253 S258 R280 F284 I288	L65-F256 HydrophobicContact CD1-CE2 4.46Å; L65-F256 HydrophobicContact CD2-CZ 4.49Å; L243-F256 HydrophobicContact CD1-CD2 4.33Å; L251-F256 HydrophobicContact CD1-CD2 4.3Å; T252-F256 PolarHBondContact O-N 3.12Å; L253-F256 PolarHBondContact O-N 3.43Å; F256-S258 VanDerWaalsContact C-N 3.28Å; F256-R280 HydrophobicContact CD1-CB 4.26Å; F256-R280 HydrophobicContact CE1-CB 4.1Å; F256-R280 HydrophobicContact CE1-CG 4.42Å; F256-R280 PolarHBondContact O-NE 3.32Å; F256-R280 PolarHBondContact O-NH2 3.26Å; F256-F284 HydrophobicContact CB-CD2 3.67Å; F256-F284 HydrophobicContact CB-CE2 3.96Å; F256-F284 HydrophobicContact CD1-CB 3.97Å; F256-F284 AromaticContact CD1-CD2 3.79Å; F256-F284 HydrophobicContact CD1-CD2 3.79Å; F256-F284 HydrophobicContact CD1-CG 4.36Å; F256-F284 HydrophobicContact CD2-CD2 4.4Å; F256-F284 HydrophobicContact CE1-CB 4.26Å; F256-F284 AromaticContact CG-CD2 3.69Å; F256-F284 HydrophobicContact CG-CD2 3.69Å; F256-F284 HydrophobicContact CG-CE2 4.38Å; F256-I288 HydrophobicContact CE1-CD1 4.03Å; F256-I288 HydrophobicContact CE2-CD1 3.85Å; F256-I288 HydrophobicContact CZ-CD1 3.39Å
257	I	79.2	Confident	68.7	Low	42 Å²	42	75.1 Å²	75.1	22%	0.215	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.8	175	72.1	-173.4	0	0	0	113.1	L253 E255 W276 V277 R280 K281	L253-I257 HydrophobicContact CD1-CG2 3.81Å; L253-I257 HydrophobicContact CG-CG2 4.43Å; L253-I257 VanDerWaalsContact O-CG1 3.26Å; L253-I257 WeakPolarHBondContact O-CG1 3.32Å; L253-I257 WeakPolarHBondContact O-CG2 3.12Å; L253-I257 PolarHBondContact O-N 3.22Å; E255-I257 PolarHBondContact O-N 3.01Å; I257-W276 WeakPolarHBondContact O-CH2 3.41Å; I257-W276 WeakPolarHBondContact O-CZ3 3.38Å; I257-V277 HydrophobicContact CB-CG1 4.47Å; I257-V277 HydrophobicContact CD1-CG1 4.2Å; I257-R280 HydrophobicContact CG2-CB 4.13Å; I257-K281 HydrophobicContact CG2-CB 4.44Å
258	S	73.1	Confident	66.5	Low	30 Å²	30	81.5 Å²	81.5	21%	0.21	43%	0.434	C	S	.	.	S	Bend	trans	-77.3	143.6	173.1	-68.7	0	0	0	0	109	S254 E255 F256	S254-S258 WeakPolarHBondContact O-CB 3.37Å; S254-S258 PolarHBondContact O-N 3.36Å; S254-S258 PolarHBondContact O-OG 3.3Å; E255-S258 WeakPolarHBondContact O-CB 3.49Å; E255-S258 PolarHBondContact O-N 3.05Å; E255-S258 VanDerWaalsContact O-N 3.1Å; F256-S258 VanDerWaalsContact C-N 3.28Å
259	L	60.7	Low	64.4	Low	76 Å²	76	80 Å²	80	40%	0.398	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-64.3	144	168.5	-67.6	169.4	0	0	0	109.4	T263 W276	L259-T263 VanDerWaalsContact CB-OG1 3.25Å; L259-T263 WeakPolarHBondContact CB-OG1 3.45Å; L259-W276 HydrophobicContact CD2-CH2 3.75Å; L259-W276 HydrophobicContact CD2-CZ2 3.72Å; L259-W276 HydrophobicContact CD2-CZ3 4.33Å; L259-W276 HydrophobicContact CG-CH2 4.15Å
260	P	55.2	Low	62.3	Low	15 Å²	15	80.3 Å²	80.3	10%	0.097	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-51.7	144.7	172.9	-23.3	31.7	0	0	0	111.4	D68 L243 G262 T263	D68-P260 VanDerWaalsContact O-CG 3.27Å; D68-P260 WeakPolarHBondContact O-CG 3.41Å; L243-P260 HydrophobicContact CD2-CG 4.23Å; P260-G262 PolarHBondContact O-N 3.44Å; P260-T263 PolarHBondContact O-N 2.97Å; P260-T263 PolarHBondContact O-OG1 3.34Å
261	M	47.1	Very low	60.2	Low	145 Å²	145	83.3 Å²	83.3	71%	0.714	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	113.2	-179.9	-75.9	-114.1	46.2	0	0	111.8
262	G	44	Very low	58.4	Low	60 Å²	60	88.9 Å²	88.9	62%	0.619	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.2	-7.4	172	0	0	0	0	0	116.6	P260 V264	P260-G262 PolarHBondContact O-N 3.44Å; G262-V264 PolarHBondContact O-N 2.93Å
263	T	51.2	Low	57	Low	56 Å²	56	90.3 Å²	90.3	34%	0.344	49%	0.49	S	S	.	.			trans	-74.8	105.3	171.1	54	0	0	0	0	109.8	L259 P260 E265	L259-T263 VanDerWaalsContact CB-OG1 3.25Å; L259-T263 WeakPolarHBondContact CB-OG1 3.45Å; P260-T263 PolarHBondContact O-N 2.97Å; P260-T263 PolarHBondContact O-OG1 3.34Å; T263-E265 PolarHBondContact O-N 2.91Å
264	V	43	Very low	56.1	Low	128 Å²	128	93.6 Å²	93.6	78%	0.776	51%	0.508	S	S	*	.			trans	-63.7	129.8	-177.5	-175.9	0	0	0	0	111.3	G262 N266	G262-V264 PolarHBondContact O-N 2.93Å; V264-N266 PolarHBondContact O-N 3.29Å
265	E	48.1	Very low	55.4	Low	166 Å²	166	93.9 Å²	93.9	78%	0.776	50%	0.504	S	S	*	.			trans	-54.3	95.8	170	-67.9	175.3	165.1	0	0	111.7	T263 Q267	T263-E265 PolarHBondContact O-N 2.91Å; E265-Q267 PolarHBondContact O-N 2.93Å
266	N	40.2	Very low	54.9	Low	132 Å²	132	95.2 Å²	95.2	71%	0.706	51%	0.508	S	S	*	.			trans	-84.3	113	162	-94.3	-28.7	0	0	0	109	V264 Q268 A269	V264-N266 PolarHBondContact O-N 3.29Å; N266-Q268 PolarHBondContact O-N 3.18Å; N266-A269 WeakPolarHBondContact O-CB 3.45Å; N266-A269 PolarHBondContact O-N 3.16Å
267	Q	39.3	Very low	54.7	Low	183 Å²	183	97 Å²	97	86%	0.855	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	18.4	-176.7	-65.7	175.3	-9.8	0	0	115.6	E265	E265-Q267 PolarHBondContact O-N 2.93Å
268	Q	41	Very low	54.7	Low	189 Å²	189	101.4 Å²	101.4	88%	0.883	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	1.1	166.2	-73.8	177	-11.9	0	0	112.4	N266	N266-Q268 PolarHBondContact O-N 3.18Å
269	A	45.4	Very low	54.9	Low	42 Å²	42	105 Å²	105	35%	0.347	55%	0.546	S	S	.	.			trans	-94.3	8.4	-168.2	0	0	0	0	0	116.3	N266 D271 I272 D273	N266-A269 WeakPolarHBondContact O-CB 3.45Å; N266-A269 PolarHBondContact O-N 3.16Å; A269-D271 VanDerWaalsContact C-N 3.34Å; A269-D271 PolarHBondContact O-N 2.92Å; A269-I272 PolarHBondContact O-N 2.97Å; A269-I272 VanDerWaalsContact O-N 3.14Å; A269-D273 WeakPolarHBondContact O-CB 3.27Å; A269-D273 PolarHBondContact O-N 2.84Å
270	Q	42.8	Very low	55.9	Low	166 Å²	166	101.5 Å²	101.5	78%	0.776	53%	0.528	S	S	*	.	H	α-helix	trans	-65.2	-31	-170.8	-114.4	167	-5.5	0	0	115
271	D	44	Very low	57.4	Low	141 Å²	141	105 Å²	105	75%	0.754	54%	0.541	S	S	*	.	H	α-helix	trans	-90.2	-21.4	174.1	-67.1	-27.9	0	0	0	112.5	A269	A269-D271 VanDerWaalsContact C-N 3.34Å; A269-D271 PolarHBondContact O-N 2.92Å
272	I	48.8	Very low	59.1	Low	119 Å²	119	102.9 Å²	102.9	61%	0.61	53%	0.528	S	S	*	.	H	α-helix	trans	-77.2	-29.2	177.1	-61.2	174.2	0	0	0	110.2	A269 W276	A269-I272 PolarHBondContact O-N 2.97Å; A269-I272 VanDerWaalsContact O-N 3.14Å; I272-W276 WeakPolarHBondContact O-CB 3.16Å; I272-W276 PolarHBondContact O-N 3.3Å
273	D	58.9	Low	60.9	Low	77 Å²	77	101.2 Å²	101.2	41%	0.412	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-42.1	178.2	-152.8	15.8	0	0	0	111.5	A269 V277	A269-D273 WeakPolarHBondContact O-CB 3.27Å; A269-D273 PolarHBondContact O-N 2.84Å; D273-V277 WeakPolarHBondContact O-CB 3.08Å; D273-V277 WeakPolarHBondContact O-CG2 3.15Å; D273-V277 PolarHBondContact O-N 3.33Å
274	D	66.6	Low	62.6	Low	111 Å²	111	98.7 Å²	98.7	59%	0.594	49%	0.489	S	S	*	.	H	α-helix	trans	-69.2	-41.4	-176.8	-90.4	-0.1	0	0	0	113.6	R278	D274-R278 WeakPolarHBondContact O-CB 3.37Å; D274-R278 PolarHBondContact O-N 2.91Å
275	D	68.8	Low	64.6	Low	82 Å²	82	96.7 Å²	96.7	44%	0.439	47%	0.471	S	S	.	.	H	α-helix	trans	-69.1	-43.9	177.5	-79.6	-0.2	0	0	0	110.9	R278 E279	D275-R278 PolarHBondContact O-N 3.39Å; D275-R278 IonicContact OD1-CZ 3.97Å; D275-R278 IonicContact OD1-NH1 3.64Å; D275-R278 PolarHBondContact OD1-NH1 3.45Å; D275-R278 IonicContact OD1-NH2 3.56Å; D275-R278 PolarHBondContact OD1-NH2 3.25Å; D275-R278 IonicContact OD2-NH2 2.74Å; D275-E279 WeakPolarHBondContact O-CG 3.11Å; D275-E279 PolarHBondContact O-N 3.18Å
276	W	72.6	Confident	66.2	Low	39 Å²	39	94.1 Å²	94.1	15%	0.148	46%	0.459	C	S	.	.	H	α-helix	trans	-65.5	-45.9	177.7	176.3	88	0	0	0	112.4	I257 L259 I272 R278 E279 R280	I257-W276 WeakPolarHBondContact O-CH2 3.41Å; I257-W276 WeakPolarHBondContact O-CZ3 3.38Å; L259-W276 HydrophobicContact CD2-CH2 3.75Å; L259-W276 HydrophobicContact CD2-CZ2 3.72Å; L259-W276 HydrophobicContact CD2-CZ3 4.33Å; L259-W276 HydrophobicContact CG-CH2 4.15Å; I272-W276 WeakPolarHBondContact O-CB 3.16Å; I272-W276 PolarHBondContact O-N 3.3Å; W276-R278 VanDerWaalsContact C-N 3.29Å; W276-R278 PolarHBondContact O-N 2.97Å; W276-E279 PolarHBondContact O-N 2.8Å; W276-R280 HydrophobicContact CZ2-CG 4.38Å; W276-R280 PolarHBondContact O-N 3.35Å
277	V	77.9	Confident	68.1	Low	38 Å²	38	88.4 Å²	88.4	23%	0.23	43%	0.429	C	S	.	.	H	α-helix	trans	-60.7	-41.9	174.5	168.7	0	0	0	0	110	I257 D273 K281	I257-V277 HydrophobicContact CB-CG1 4.47Å; I257-V277 HydrophobicContact CD1-CG1 4.2Å; D273-V277 WeakPolarHBondContact O-CB 3.08Å; D273-V277 WeakPolarHBondContact O-CG2 3.15Å; D273-V277 PolarHBondContact O-N 3.33Å; V277-K281 WeakPolarHBondContact O-CB 3.49Å; V277-K281 PolarHBondContact O-N 2.92Å
278	R	80.1	Confident	70.3	Confident	135 Å²	135	79.9 Å²	79.9	51%	0.509	39%	0.389	S	S	.	.	H	α-helix	trans	-63.9	-44.1	178.7	-178.1	-179.5	64.7	-114.7	2.6	111.9	D274 D275 W276 K282	D274-R278 WeakPolarHBondContact O-CB 3.37Å; D274-R278 PolarHBondContact O-N 2.91Å; D275-R278 PolarHBondContact O-N 3.39Å; D275-R278 IonicContact OD1-CZ 3.97Å; D275-R278 IonicContact OD1-NH1 3.64Å; D275-R278 PolarHBondContact OD1-NH1 3.45Å; D275-R278 IonicContact OD1-NH2 3.56Å; D275-R278 PolarHBondContact OD1-NH2 3.25Å; D275-R278 IonicContact OD2-NH2 2.74Å; W276-R278 VanDerWaalsContact C-N 3.29Å; W276-R278 PolarHBondContact O-N 2.97Å; R278-K282 WeakPolarHBondContact O-CB 3.42Å; R278-K282 PolarHBondContact O-N 3.42Å
279	E	77.6	Confident	72.5	Confident	104 Å²	104	71.1 Å²	71.1	49%	0.486	35%	0.348	S	S	.	.	H	α-helix	trans	-64.6	-48.7	178.1	-76.1	179.5	175	0	0	111.7	D275 W276 K281 K282 E283	D275-E279 WeakPolarHBondContact O-CG 3.11Å; D275-E279 PolarHBondContact O-N 3.18Å; W276-E279 PolarHBondContact O-N 2.8Å; E279-K281 VanDerWaalsContact C-N 3.33Å; E279-K281 PolarHBondContact O-N 3.03Å; E279-K282 WeakPolarHBondContact O-CB 3.38Å; E279-K282 PolarHBondContact O-N 3.19Å; E279-K282 VanDerWaalsContact O-N 3.15Å; E279-E283 PolarHBondContact O-N 3.35Å
280	R	82.3	Confident	74.3	Confident	3 Å²	3	75.6 Å²	75.6	1%	0.011	36%	0.356	C	S	.	.	H	α-helix	trans	-61.2	-41.5	176.2	-75.6	-171.7	75.6	90.9	-10.4	112.7	G69 I71 F256 I257 W276 K282 E283 F284	G69-R280 PolarHBondContact O-NH1 2.77Å; G69-R280 PolarHBondContact O-NH2 3.05Å; I71-R280 HydrophobicContact CD1-CB 4.28Å; I71-R280 HydrophobicContact CD1-CG 3.44Å; I71-R280 VanDerWaalsContact CD1-CG 3.44Å; I71-R280 HydrophobicContact CG1-CG 4.02Å; F256-R280 HydrophobicContact CD1-CB 4.26Å; F256-R280 HydrophobicContact CE1-CB 4.1Å; F256-R280 HydrophobicContact CE1-CG 4.42Å; F256-R280 PolarHBondContact O-NE 3.32Å; F256-R280 PolarHBondContact O-NH2 3.26Å; I257-R280 HydrophobicContact CG2-CB 4.13Å; W276-R280 HydrophobicContact CZ2-CG 4.38Å; W276-R280 PolarHBondContact O-N 3.35Å; R280-K282 VanDerWaalsContact C-N 3.31Å; R280-K282 PolarHBondContact O-N 2.87Å; R280-E283 PolarHBondContact O-N 3.14Å; R280-F284 VanDerWaalsContact O-CB 3.31Å; R280-F284 WeakPolarHBondContact O-CB 3.46Å; R280-F284 PolarHBondContact O-N 3.17Å
281	K	85.1	Confident	76.3	Confident	88 Å²	88	71.7 Å²	71.7	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-61.7	-42.4	175.6	178.8	174	-179.1	-178.3	0	111.5	L253 I257 V277 E279 F284 E285	L253-K281 HydrophobicContact CD1-CB 4.17Å; L253-K281 HydrophobicContact CD1-CG 3.97Å; L253-K281 HydrophobicContact CD2-CD 4.27Å; L253-K281 HydrophobicContact CD2-CG 4.19Å; I257-K281 HydrophobicContact CG2-CB 4.44Å; V277-K281 WeakPolarHBondContact O-CB 3.49Å; V277-K281 PolarHBondContact O-N 2.92Å; E279-K281 VanDerWaalsContact C-N 3.33Å; E279-K281 PolarHBondContact O-N 3.03Å; K281-F284 PolarHBondContact O-N 2.8Å; K281-E285 VanDerWaalsContact CE-CD 3.5Å; K281-E285 WeakPolarHBondContact CE-OE1 3.39Å; K281-E285 HydrophobicContact CG-CG 4.42Å; K281-E285 IonicContact NZ-OE1 3.75Å; K281-E285 WeakPolarHBondContact O-CB 3.2Å; K281-E285 WeakPolarHBondContact O-CG 3.16Å; K281-E285 PolarHBondContact O-N 3.06Å
282	K	83.9	Confident	78.4	Confident	101 Å²	101	71.6 Å²	71.6	44%	0.439	34%	0.336	S	S	.	.	H	α-helix	trans	-64	-46.3	177.8	-170.5	-175.7	175.2	-170.5	0	111.3	R278 E279 R280 F284 E285 E286	R278-K282 WeakPolarHBondContact O-CB 3.42Å; R278-K282 PolarHBondContact O-N 3.42Å; E279-K282 WeakPolarHBondContact O-CB 3.38Å; E279-K282 PolarHBondContact O-N 3.19Å; E279-K282 VanDerWaalsContact O-N 3.15Å; R280-K282 VanDerWaalsContact C-N 3.31Å; R280-K282 PolarHBondContact O-N 2.87Å; K282-F284 VanDerWaalsContact C-N 3.33Å; K282-F284 PolarHBondContact O-N 2.91Å; K282-E285 PolarHBondContact O-N 3.49Å; K282-E286 WeakPolarHBondContact CE-OE1 3.36Å; K282-E286 WeakPolarHBondContact CE-OE2 3.47Å; K282-E286 VanDerWaalsContact CG-CD 3.44Å; K282-E286 HydrophobicContact CG-CG 4.08Å; K282-E286 WeakPolarHBondContact CG-OE1 3.42Å; K282-E286 IonicContact NZ-OE2 2.76Å; K282-E286 VanDerWaalsContact O-CB 3.24Å; K282-E286 WeakPolarHBondContact O-CB 3.21Å; K282-E286 WeakPolarHBondContact O-CG 3.44Å; K282-E286 PolarHBondContact O-N 3.27Å
283	E	82.4	Confident	80.3	Confident	25 Å²	25	70 Å²	70	12%	0.117	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-43.1	176.1	-75.2	-65.4	123.4	0	0	111.6	K64 I71 E279 R280 V287 I288 Y304 Q319	K64-E283 IonicContact NZ-OE2 3.14Å; I71-E283 HydrophobicContact CD1-CG 4.19Å; E279-E283 PolarHBondContact O-N 3.35Å; R280-E283 PolarHBondContact O-N 3.14Å; E283-V287 WeakPolarHBondContact O-CA 3.27Å; E283-V287 WeakPolarHBondContact O-CB 3.39Å; E283-V287 PolarHBondContact O-N 3.27Å; E283-I288 PolarHBondContact O-N 3.16Å; E283-Y304 PolarHBondContact OE2-OH 3.33Å; E283-Q319 PolarHBondContact OE1-NE2 2.96Å
284	F	85.9	Confident	81.6	Confident	3 Å²	3	67.9 Å²	67.9	1%	0.013	33%	0.325	C	S	.	.	I	π-helix	trans	-56.9	-55	175.3	-174.9	-80.9	0	0	0	111.4	L253 F256 R280 K281 K282 D289 G294 V296	L253-F284 HydrophobicContact CB-CD1 4.21Å; L253-F284 HydrophobicContact CB-CE1 3.93Å; L253-F284 HydrophobicContact CB-CE2 4.42Å; L253-F284 HydrophobicContact CB-CZ 4.04Å; L253-F284 HydrophobicContact CD1-CB 3.9Å; L253-F284 HydrophobicContact CD1-CD1 3.76Å; L253-F284 HydrophobicContact CD1-CD2 4.24Å; L253-F284 HydrophobicContact CD1-CE1 4.36Å; L253-F284 HydrophobicContact CD1-CG 3.7Å; F256-F284 HydrophobicContact CB-CD2 3.67Å; F256-F284 HydrophobicContact CB-CE2 3.96Å; F256-F284 HydrophobicContact CD1-CB 3.97Å; F256-F284 AromaticContact CD1-CD2 3.79Å; F256-F284 HydrophobicContact CD1-CD2 3.79Å; F256-F284 HydrophobicContact CD1-CG 4.36Å; F256-F284 HydrophobicContact CD2-CD2 4.4Å; F256-F284 HydrophobicContact CE1-CB 4.26Å; F256-F284 AromaticContact CG-CD2 3.69Å; F256-F284 HydrophobicContact CG-CD2 3.69Å; F256-F284 HydrophobicContact CG-CE2 4.38Å; R280-F284 VanDerWaalsContact O-CB 3.31Å; R280-F284 WeakPolarHBondContact O-CB 3.46Å; R280-F284 PolarHBondContact O-N 3.17Å; K281-F284 PolarHBondContact O-N 2.8Å; K282-F284 VanDerWaalsContact C-N 3.33Å; K282-F284 PolarHBondContact O-N 2.91Å; F284-D289 HydrophobicContact CD1-CB 4.35Å; F284-D289 HydrophobicContact CE1-CB 4.2Å; F284-D289 WeakPolarHBondContact O-CB 3.48Å; F284-D289 PolarHBondContact O-N 3.35Å; F284-G294 WeakPolarHBondContact CZ-O 3.43Å; F284-V296 HydrophobicContact CD2-CG2 3.64Å; F284-V296 HydrophobicContact CE1-CG2 4.48Å; F284-V296 HydrophobicContact CE2-CB 3.99Å; F284-V296 HydrophobicContact CE2-CG2 3.28Å; F284-V296 HydrophobicContact CG-CG2 4.4Å; F284-V296 HydrophobicContact CZ-CG2 3.75Å
285	E	85.6	Confident	82.6	Confident	86 Å²	86	65.2 Å²	65.2	40%	0.402	31%	0.31	S	S	.	.	I	π-helix	trans	-75.8	-34.8	-172.7	-68.8	178.2	170.8	0	0	113.6	K281 K282 H292	K281-E285 VanDerWaalsContact CE-CD 3.5Å; K281-E285 WeakPolarHBondContact CE-OE1 3.39Å; K281-E285 HydrophobicContact CG-CG 4.42Å; K281-E285 IonicContact NZ-OE1 3.75Å; K281-E285 WeakPolarHBondContact O-CB 3.2Å; K281-E285 WeakPolarHBondContact O-CG 3.16Å; K281-E285 PolarHBondContact O-N 3.06Å; K282-E285 PolarHBondContact O-N 3.49Å; E285-H292 PolarHBondContact O-CE1 3.32Å; E285-H292 VanDerWaalsContact O-CE1 3.28Å; E285-H292 PolarHBondContact O-ND1 2.98Å
286	E	81.8	Confident	83.6	Confident	113 Å²	113	61.4 Å²	61.4	53%	0.528	29%	0.289	S	S	.	.	I	π-helix	trans	-97	-25.5	-172.2	-62.7	-175.1	-176.5	0	0	113.9	K282	K282-E286 WeakPolarHBondContact CE-OE1 3.36Å; K282-E286 WeakPolarHBondContact CE-OE2 3.47Å; K282-E286 VanDerWaalsContact CG-CD 3.44Å; K282-E286 HydrophobicContact CG-CG 4.08Å; K282-E286 WeakPolarHBondContact CG-OE1 3.42Å; K282-E286 IonicContact NZ-OE2 2.76Å; K282-E286 VanDerWaalsContact O-CB 3.24Å; K282-E286 WeakPolarHBondContact O-CB 3.21Å; K282-E286 WeakPolarHBondContact O-CG 3.44Å; K282-E286 PolarHBondContact O-N 3.27Å
287	V	80.1	Confident	84.5	Confident	12 Å²	12	60.9 Å²	60.9	7%	0.073	29%	0.291	C	S	.	.	I	π-helix	trans	-122.4	-49.2	-169.2	-165	0	0	0	0	112.7	E283 Y304	E283-V287 WeakPolarHBondContact O-CA 3.27Å; E283-V287 WeakPolarHBondContact O-CB 3.39Å; E283-V287 PolarHBondContact O-N 3.27Å; V287-Y304 HydrophobicContact CB-CD2 4.49Å; V287-Y304 HydrophobicContact CB-CE2 4.08Å; V287-Y304 HydrophobicContact CG1-CD2 3.8Å; V287-Y304 HydrophobicContact CG1-CE2 3.61Å
288	I	85.5	Confident	84.9	Confident	3 Å²	3	60.9 Å²	60.9	2%	0.015	29%	0.289	C	S	.	.	I	π-helix	trans	-83.5	-51.1	-172.8	-48.8	174	0	0	0	111.2	F256 E283 R290 V296 L301 Y304	F256-I288 HydrophobicContact CE1-CD1 4.03Å; F256-I288 HydrophobicContact CE2-CD1 3.85Å; F256-I288 HydrophobicContact CZ-CD1 3.39Å; E283-I288 PolarHBondContact O-N 3.16Å; I288-R290 VanDerWaalsContact C-N 3.27Å; I288-R290 PolarHBondContact O-N 3.42Å; I288-V296 HydrophobicContact CB-CG2 4.02Å; I288-V296 HydrophobicContact CG2-CB 4.17Å; I288-V296 HydrophobicContact CG2-CG1 3.52Å; I288-V296 HydrophobicContact CG2-CG2 3.5Å; I288-V296 VanDerWaalsContact CG2-CG2 3.5Å; I288-L301 HydrophobicContact CG2-CD1 4.45Å; I288-Y304 HydrophobicContact CD1-CD1 4.1Å; I288-Y304 HydrophobicContact CD1-CD2 4.46Å; I288-Y304 HydrophobicContact CD1-CE1 3.88Å; I288-Y304 HydrophobicContact CD1-CE2 4.25Å; I288-Y304 HydrophobicContact CD1-CG 4.36Å; I288-Y304 HydrophobicContact CG1-CD1 4.05Å; I288-Y304 HydrophobicContact CG1-CD2 3.62Å; I288-Y304 HydrophobicContact CG1-CE1 4.08Å; I288-Y304 HydrophobicContact CG1-CE2 3.65Å; I288-Y304 HydrophobicContact CG1-CG 3.79Å
289	D	86.8	Confident	85.3	Confident	6 Å²	6	60.1 Å²	60.1	3%	0.032	29%	0.291	C	S	.	.			trans	-77.1	76.4	178.4	-178.6	9.8	0	0	0	111	F284 N291 H292 D293 G294 V296	F284-D289 HydrophobicContact CD1-CB 4.35Å; F284-D289 HydrophobicContact CE1-CB 4.2Å; F284-D289 WeakPolarHBondContact O-CB 3.48Å; F284-D289 PolarHBondContact O-N 3.35Å; D289-N291 VanDerWaalsContact C-N 3.26Å; D289-N291 PolarHBondContact O-N 3.3Å; D289-N291 PolarHBondContact OD1-OD1 2.95Å; D289-H292 VanDerWaalsContact CG-CA 3.47Å; D289-H292 PolarHBondContact O-CE1 2.92Å; D289-H292 PolarHBondContact O-N 2.84Å; D289-H292 PolarHBondContact O-ND1 3.31Å; D289-H292 VanDerWaalsContact O-ND1 3.11Å; D289-H292 WeakPolarHBondContact OD1-CA 3.37Å; D289-H292 PolarHBondContact OD1-N 2.61Å; D289-H292 VanDerWaalsContact OD2-CA 3.25Å; D289-H292 WeakPolarHBondContact OD2-CA 3.37Å; D289-D293 PolarHBondContact OD1-N 3.09Å; D289-D293 PolarHBondContact OD2-N 3.05Å; D289-G294 VanDerWaalsContact OD2-CA 3.29Å; D289-G294 WeakPolarHBondContact OD2-CA 3.48Å; D289-G294 PolarHBondContact OD2-N 2.97Å; D289-V296 HydrophobicContact CB-CG2 4.45Å
290	R	82.3	Confident	85.9	Confident	136 Å²	136	56.2 Å²	56.2	51%	0.513	27%	0.273	S	S	.	.	S	Bend	trans	-65	-31.9	-176.9	-174.7	178.8	-176	172.9	4.8	112.8	I288 E303	I288-R290 VanDerWaalsContact C-N 3.27Å; I288-R290 PolarHBondContact O-N 3.42Å; R290-E303 IonicContact NH1-OE2 3.11Å; R290-E303 PolarHBondContact NH1-OE2 2.88Å; R290-E303 VanDerWaalsContact NH1-OE2 3.11Å
291	N	86.1	Confident	86.2	Confident	84 Å²	84	56.1 Å²	56.1	45%	0.449	27%	0.272	S	S	.	.	S	Bend	trans	-91.1	-10.3	-175.4	79	47.3	0	0	0	112.1	D289 D293 E300	D289-N291 VanDerWaalsContact C-N 3.26Å; D289-N291 PolarHBondContact O-N 3.3Å; D289-N291 PolarHBondContact OD1-OD1 2.95Å; N291-D293 VanDerWaalsContact C-N 3.33Å; N291-D293 PolarHBondContact ND2-OD2 3.32Å; N291-D293 WeakPolarHBondContact OD1-CA 3.26Å; N291-D293 WeakPolarHBondContact OD1-CB 3.34Å; N291-D293 PolarHBondContact OD1-N 3.1Å; N291-D293 PolarHBondContact OD1-OD1 3.16Å; N291-D293 VanDerWaalsContact OD1-OD1 3.13Å; N291-D293 PolarHBondContact OD1-OD2 3.17Å; N291-E300 PolarHBondContact ND2-OE1 2.98Å
292	H	87.4	Confident	86.4	Confident	139 Å²	139	54.4 Å²	54.4	64%	0.644	27%	0.266	S	S	*	.			trans	59.3	35.7	-179.8	-57.4	-58.5	0	0	0	113.7	E285 D289	E285-H292 PolarHBondContact O-CE1 3.32Å; E285-H292 VanDerWaalsContact O-CE1 3.28Å; E285-H292 PolarHBondContact O-ND1 2.98Å; D289-H292 VanDerWaalsContact CG-CA 3.47Å; D289-H292 PolarHBondContact O-CE1 2.92Å; D289-H292 PolarHBondContact O-N 2.84Å; D289-H292 PolarHBondContact O-ND1 3.31Å; D289-H292 VanDerWaalsContact O-ND1 3.11Å; D289-H292 WeakPolarHBondContact OD1-CA 3.37Å; D289-H292 PolarHBondContact OD1-N 2.61Å; D289-H292 VanDerWaalsContact OD2-CA 3.25Å; D289-H292 WeakPolarHBondContact OD2-CA 3.37Å
293	D	88.1	Confident	86.6	Confident	85 Å²	85	53.9 Å²	53.9	46%	0.455	27%	0.265	S	S	.	.	S	Bend	trans	-89.7	-3	176	73.3	2.9	0	0	0	113.3	D289 N291 I295	D289-D293 PolarHBondContact OD1-N 3.09Å; D289-D293 PolarHBondContact OD2-N 3.05Å; N291-D293 VanDerWaalsContact C-N 3.33Å; N291-D293 PolarHBondContact ND2-OD2 3.32Å; N291-D293 WeakPolarHBondContact OD1-CA 3.26Å; N291-D293 WeakPolarHBondContact OD1-CB 3.34Å; N291-D293 PolarHBondContact OD1-N 3.1Å; N291-D293 PolarHBondContact OD1-OD1 3.16Å; N291-D293 VanDerWaalsContact OD1-OD1 3.13Å; N291-D293 PolarHBondContact OD1-OD2 3.17Å; D293-I295 VanDerWaalsContact C-N 3.31Å; D293-I295 WeakPolarHBondContact OD1-CA 3.48Å; D293-I295 WeakPolarHBondContact OD1-CB 3.33Å; D293-I295 PolarHBondContact OD1-N 3.42Å
294	G	86.3	Confident	86.8	Confident	33 Å²	33	53.1 Å²	53.1	34%	0.34	26%	0.261	S	S	.	.	S	Bend	trans	78	14	179.6	0	0	0	0	0	113.8	F284 D289	F284-G294 WeakPolarHBondContact CZ-O 3.43Å; D289-G294 VanDerWaalsContact OD2-CA 3.29Å; D289-G294 WeakPolarHBondContact OD2-CA 3.48Å; D289-G294 PolarHBondContact OD2-N 2.97Å
295	I	89.2	Confident	86.8	Confident	54 Å²	54	53.1 Å²	53.1	28%	0.277	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	118.9	-176	-57.2	178.2	0	0	0	109.4	K250 D293	K250-I295 HydrophobicContact CB-CG2 3.52Å; K250-I295 HydrophobicContact CD-CG2 4.14Å; K250-I295 HydrophobicContact CG-CG2 4.01Å; D293-I295 VanDerWaalsContact C-N 3.31Å; D293-I295 WeakPolarHBondContact OD1-CA 3.48Å; D293-I295 WeakPolarHBondContact OD1-CB 3.33Å; D293-I295 PolarHBondContact OD1-N 3.42Å
296	V	89.6	Confident	86.9	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	120.6	174.5	168	0	0	0	0	110	L251 F284 I288 D289 L301	L251-V296 HydrophobicContact CB-CB 4.22Å; L251-V296 PolarHBondContact N-O 3.22Å; L251-V296 PolarHBondContact O-N 3.16Å; F284-V296 HydrophobicContact CD2-CG2 3.64Å; F284-V296 HydrophobicContact CE1-CG2 4.48Å; F284-V296 HydrophobicContact CE2-CB 3.99Å; F284-V296 HydrophobicContact CE2-CG2 3.28Å; F284-V296 HydrophobicContact CG-CG2 4.4Å; F284-V296 HydrophobicContact CZ-CG2 3.75Å; I288-V296 HydrophobicContact CB-CG2 4.02Å; I288-V296 HydrophobicContact CG2-CB 4.17Å; I288-V296 HydrophobicContact CG2-CG1 3.52Å; I288-V296 HydrophobicContact CG2-CG2 3.5Å; I288-V296 VanDerWaalsContact CG2-CG2 3.5Å; D289-V296 HydrophobicContact CB-CG2 4.45Å; V296-L301 HydrophobicContact CG1-CB 4.09Å
297	T	90.1	Very high	87.1	Confident	29 Å²	29	46.5 Å²	46.5	18%	0.178	23%	0.233	C	C	.	.			trans	-86.3	161.4	173.2	60.2	0	0	0	0	112	E299 E300 L301	T297-E299 PolarHBondContact O-N 2.77Å; T297-E300 WeakPolarHBondContact CB-OE2 3.33Å; T297-E300 PolarHBondContact N-OE2 3.39Å; T297-E300 PolarHBondContact O-N 3.25Å; T297-E300 VanDerWaalsContact OG1-CD 3.28Å; T297-E300 WeakPolarHBondContact OG1-CG 3.49Å; T297-E300 PolarHBondContact OG1-N 3.2Å; T297-E300 PolarHBondContact OG1-OE2 3.02Å; T297-L301 PolarHBondContact O-N 3.1Å
298	M	87.7	Confident	87.3	Confident	38 Å²	38	48.4 Å²	48.4	19%	0.187	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-37.7	176	-169.2	-178.3	-179.7	0	0	111.6	K233 V236 K237 L301 E302	K233-M298 HydrophobicContact CG-CE 3.86Å; K233-M298 WeakPolarHBondContact O-CE 3.27Å; V236-M298 HydrophobicContact CB-CE 4.3Å; V236-M298 HydrophobicContact CG1-CE 3.99Å; V236-M298 HydrophobicContact CG1-CG 3.74Å; K237-M298 HydrophobicContact CB-CE 4.29Å; K237-M298 HydrophobicContact CD-CE 4.09Å; K237-M298 HydrophobicContact CG-CE 3.16Å; K237-M298 HydrophobicContact CG-SD 4.19Å; M298-L301 PolarHBondContact O-N 3.13Å; M298-E302 VanDerWaalsContact CE-OE1 3.28Å; M298-E302 WeakPolarHBondContact CE-OE1 3.4Å; M298-E302 WeakPolarHBondContact O-CB 3.06Å; M298-E302 WeakPolarHBondContact O-CG 3.35Å; M298-E302 PolarHBondContact O-N 3.32Å
299	E	88.6	Confident	87.5	Confident	119 Å²	119	49.7 Å²	49.7	56%	0.556	25%	0.249	S	C	*	.	H	α-helix	trans	-65.9	-41.4	177.9	-66	76.6	-168.5	0	0	112.4	T297 L301 E302 E303	T297-E299 PolarHBondContact O-N 2.77Å; E299-L301 VanDerWaalsContact C-N 3.34Å; E299-E302 PolarHBondContact O-N 3.22Å; E299-E303 PolarHBondContact O-N 2.89Å
300	E	89	Confident	87.5	Confident	22 Å²	22	55.7 Å²	55.7	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-66	-38.9	175.8	-76	161.1	151.8	0	0	111.6	N291 T297 E303 Y304	N291-E300 PolarHBondContact ND2-OE1 2.98Å; T297-E300 WeakPolarHBondContact CB-OE2 3.33Å; T297-E300 PolarHBondContact N-OE2 3.39Å; T297-E300 PolarHBondContact O-N 3.25Å; T297-E300 VanDerWaalsContact OG1-CD 3.28Å; T297-E300 WeakPolarHBondContact OG1-CG 3.49Å; T297-E300 PolarHBondContact OG1-N 3.2Å; T297-E300 PolarHBondContact OG1-OE2 3.02Å; E300-E303 PolarHBondContact O-N 2.98Å; E300-Y304 WeakPolarHBondContact O-CB 3.29Å; E300-Y304 PolarHBondContact O-N 3.43Å
301	L	88.2	Confident	87.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-70.2	-35.3	176.3	-166.8	57.1	0	0	0	112	L65 V236 I239 V240 L251 I288 V296 T297 M298 E299 Y304 M305	L65-L301 HydrophobicContact CD1-CD1 3.84Å; V236-L301 HydrophobicContact CG1-CB 3.91Å; V236-L301 HydrophobicContact CG1-CD2 3.91Å; V236-L301 HydrophobicContact CG1-CG 3.92Å; V236-L301 HydrophobicContact CG2-CG 4.32Å; I239-L301 HydrophobicContact CG2-CD2 4.09Å; V240-L301 HydrophobicContact CG2-CD2 3.94Å; L251-L301 HydrophobicContact CD1-CD2 4.21Å; I288-L301 HydrophobicContact CG2-CD1 4.45Å; V296-L301 HydrophobicContact CG1-CB 4.09Å; T297-L301 PolarHBondContact O-N 3.1Å; M298-L301 PolarHBondContact O-N 3.13Å; E299-L301 VanDerWaalsContact C-N 3.34Å; L301-Y304 HydrophobicContact CD1-CD1 4.03Å; L301-Y304 PolarHBondContact O-N 3.1Å; L301-M305 HydrophobicContact CD1-CG 4.42Å; L301-M305 WeakPolarHBondContact O-CB 3.37Å; L301-M305 WeakPolarHBondContact O-CG 3.2Å; L301-M305 PolarHBondContact O-N 3.45Å
302	E	88.9	Confident	87.8	Confident	52 Å²	52	51 Å²	51	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-45.6	169.9	-78.6	174.5	-150	0	0	111.6	K233 V236 M298 E299 Y304 M305 D306	K233-E302 WeakPolarHBondContact CG-OE1 3.25Å; K233-E302 IonicContact NZ-OE1 3.92Å; K233-E302 PolarHBondContact NZ-OE1 3.38Å; K233-E302 IonicContact NZ-OE2 2.8Å; K233-E302 PolarHBondContact NZ-OE2 2.94Å; V236-E302 HydrophobicContact CB-CG 4.21Å; V236-E302 HydrophobicContact CG1-CG 4.11Å; V236-E302 HydrophobicContact CG2-CG 4.01Å; M298-E302 VanDerWaalsContact CE-OE1 3.28Å; M298-E302 WeakPolarHBondContact CE-OE1 3.4Å; M298-E302 WeakPolarHBondContact O-CB 3.06Å; M298-E302 WeakPolarHBondContact O-CG 3.35Å; M298-E302 PolarHBondContact O-N 3.32Å; E299-E302 PolarHBondContact O-N 3.22Å; E302-Y304 VanDerWaalsContact C-N 3.32Å; E302-Y304 PolarHBondContact O-N 3.39Å; E302-M305 PolarHBondContact O-N 3.08Å; E302-D306 PolarHBondContact O-N 3Å; E302-D306 VanDerWaalsContact O-N 3.13Å
303	E	88.4	Confident	87.8	Confident	90 Å²	90	44.7 Å²	44.7	42%	0.421	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-37.8	175.9	-77.7	-172	-166.2	0	0	112.1	R290 E299 E300 N309 N312	R290-E303 IonicContact NH1-OE2 3.11Å; R290-E303 PolarHBondContact NH1-OE2 2.88Å; R290-E303 VanDerWaalsContact NH1-OE2 3.11Å; E299-E303 PolarHBondContact O-N 2.89Å; E300-E303 PolarHBondContact O-N 2.98Å; E303-N309 PolarHBondContact O-ND2 3.32Å; E303-N312 PolarHBondContact O-ND2 2.99Å
304	Y	87.1	Confident	87.9	Confident	9 Å²	9	42.6 Å²	42.6	4%	0.035	22%	0.215	C	C	.	.	H	α-helix	trans	-66.4	-41.3	177.6	178.6	-109.3	0	0	0	112.7	K64 L65 E283 V287 I288 E300 L301 E302 D306 N312	K64-Y304 HydrophobicContact CB-CE1 3.73Å; K64-Y304 HydrophobicContact CB-CE2 4.36Å; K64-Y304 WeakPolarHBondContact CB-OH 3.41Å; K64-Y304 HydrophobicContact CD-CD2 4.37Å; K64-Y304 HydrophobicContact CD-CE1 4.37Å; K64-Y304 HydrophobicContact CD-CE2 3.47Å; K64-Y304 VanDerWaalsContact CD-CE2 3.47Å; K64-Y304 VanDerWaalsContact CD-CZ 3.48Å; K64-Y304 WeakPolarHBondContact CD-OH 3.12Å; K64-Y304 HydrophobicContact CG-CE2 4.49Å; L65-Y304 HydrophobicContact CD1-CD1 4.16Å; L65-Y304 HydrophobicContact CD1-CE1 3.84Å; L65-Y304 HydrophobicContact CG-CE1 3.87Å; E283-Y304 PolarHBondContact OE2-OH 3.33Å; V287-Y304 HydrophobicContact CB-CD2 4.49Å; V287-Y304 HydrophobicContact CB-CE2 4.08Å; V287-Y304 HydrophobicContact CG1-CD2 3.8Å; V287-Y304 HydrophobicContact CG1-CE2 3.61Å; I288-Y304 HydrophobicContact CD1-CD1 4.1Å; I288-Y304 HydrophobicContact CD1-CD2 4.46Å; I288-Y304 HydrophobicContact CD1-CE1 3.88Å; I288-Y304 HydrophobicContact CD1-CE2 4.25Å; I288-Y304 HydrophobicContact CD1-CG 4.36Å; I288-Y304 HydrophobicContact CG1-CD1 4.05Å; I288-Y304 HydrophobicContact CG1-CD2 3.62Å; I288-Y304 HydrophobicContact CG1-CE1 4.08Å; I288-Y304 HydrophobicContact CG1-CE2 3.65Å; I288-Y304 HydrophobicContact CG1-CG 3.79Å; E300-Y304 WeakPolarHBondContact O-CB 3.29Å; E300-Y304 PolarHBondContact O-N 3.43Å; L301-Y304 HydrophobicContact CD1-CD1 4.03Å; L301-Y304 PolarHBondContact O-N 3.1Å; E302-Y304 VanDerWaalsContact C-N 3.32Å; E302-Y304 PolarHBondContact O-N 3.39Å; Y304-D306 VanDerWaalsContact C-N 3.33Å; Y304-N312 WeakPolarHBondContact CA-ND2 3.5Å; Y304-N312 PolarHBondContact O-ND2 2.75Å
305	M	86.2	Confident	88	Confident	3 Å²	3	41.9 Å²	41.9	2%	0.015	20%	0.204	C	C	.	.	H	α-helix	trans	-78.8	-14	-179.1	-68.4	-65.9	-79.9	0	0	113.5	V63 L65 L232 V236 I239 L301 E302 P307	V63-M305 HydrophobicContact CG1-CE 3.28Å; V63-M305 HydrophobicContact CG1-SD 3.58Å; V63-M305 VanDerWaalsContact CG1-SD 3.58Å; L65-M305 HydrophobicContact CB-CE 3.94Å; L65-M305 HydrophobicContact CB-SD 3.63Å; L65-M305 HydrophobicContact CD1-SD 3.93Å; L65-M305 HydrophobicContact CG-SD 4.02Å; L232-M305 HydrophobicContact CD2-CB 4.43Å; V236-M305 HydrophobicContact CG2-CB 4.23Å; V236-M305 HydrophobicContact CG2-CG 4Å; I239-M305 HydrophobicContact CD1-CE 3.98Å; L301-M305 HydrophobicContact CD1-CG 4.42Å; L301-M305 WeakPolarHBondContact O-CB 3.37Å; L301-M305 WeakPolarHBondContact O-CG 3.2Å; L301-M305 PolarHBondContact O-N 3.45Å; E302-M305 PolarHBondContact O-N 3.08Å; M305-P307 WeakPolarHBondContact O-CD 3.44Å
306	D	88	Confident	87.9	Confident	45 Å²	45	39.4 Å²	39.4	24%	0.241	19%	0.191	C	C	.	.			trans	-71.7	108.6	177.5	-174.1	-10.2	0	0	0	110.7	E302 Y304 M308 N309	E302-D306 PolarHBondContact O-N 3Å; E302-D306 VanDerWaalsContact O-N 3.13Å; Y304-D306 VanDerWaalsContact C-N 3.33Å; D306-M308 PolarHBondContact O-N 3.31Å; D306-M308 WeakPolarHBondContact OD1-CB 3.49Å; D306-M308 PolarHBondContact OD1-N 2.98Å; D306-N309 HydrophobicContact CB-CB 4.15Å; D306-N309 VanDerWaalsContact O-CB 3.27Å; D306-N309 WeakPolarHBondContact O-CB 3.22Å; D306-N309 PolarHBondContact O-N 2.78Å
307	P	85	Confident	88	Confident	16 Å²	16	39.3 Å²	39.3	10%	0.104	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.7	-177	33.3	-38	0	0	0	112.6	G62 T129 F133 E226 M305	G62-P307 VanDerWaalsContact O-CB 3.32Å; G62-P307 WeakPolarHBondContact O-CB 3.21Å; T129-P307 HydrophobicContact CG2-CB 3.85Å; T129-P307 HydrophobicContact CG2-CG 4.42Å; F133-P307 HydrophobicContact CE1-CG 4.05Å; F133-P307 HydrophobicContact CE2-CG 4.37Å; F133-P307 HydrophobicContact CZ-CB 4.38Å; F133-P307 HydrophobicContact CZ-CG 3.42Å; F133-P307 VanDerWaalsContact CZ-CG 3.42Å; E226-P307 HydrophobicContact CB-CG 4.5Å; M305-P307 WeakPolarHBondContact O-CD 3.44Å
308	M	85.5	Confident	88	Confident	52 Å²	52	42.8 Å²	42.8	26%	0.256	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	6	176.9	-71	-65.5	-167	0	0	113	M126 T129 E130 F133 D306 E310	M126-M308 HydrophobicContact CE-CB 4.42Å; M126-M308 HydrophobicContact CE-SD 3.56Å; M126-M308 VanDerWaalsContact CE-SD 3.56Å; T129-M308 HydrophobicContact CG2-CE 4.08Å; T129-M308 HydrophobicContact CG2-SD 4.03Å; E130-M308 HydrophobicContact CB-CE 4.06Å; E130-M308 WeakPolarHBondContact OE2-CE 3.46Å; F133-M308 HydrophobicContact CD2-CE 3.44Å; F133-M308 VanDerWaalsContact CD2-CE 3.44Å; F133-M308 HydrophobicContact CE2-CE 3.74Å; F133-M308 HydrophobicContact CE2-CG 3.96Å; F133-M308 HydrophobicContact CG-CE 4.02Å; D306-M308 PolarHBondContact O-N 3.31Å; D306-M308 WeakPolarHBondContact OD1-CB 3.49Å; D306-M308 PolarHBondContact OD1-N 2.98Å; M308-E310 PolarHBondContact O-N 2.72Å; M308-E310 VanDerWaalsContact O-N 3.15Å
309	N	88.8	Confident	87.9	Confident	30 Å²	30	42.4 Å²	42.4	16%	0.16	20%	0.201	C	C	.	.			trans	-74	105.9	177.9	-172.3	-20.6	0	0	0	111.2	E303 D306 Y311 N312 A313	E303-N309 PolarHBondContact O-ND2 3.32Å; D306-N309 HydrophobicContact CB-CB 4.15Å; D306-N309 VanDerWaalsContact O-CB 3.27Å; D306-N309 WeakPolarHBondContact O-CB 3.22Å; D306-N309 PolarHBondContact O-N 2.78Å; N309-Y311 PolarHBondContact O-N 2.97Å; N309-Y311 VanDerWaalsContact O-N 3.15Å; N309-Y311 WeakPolarHBondContact OD1-CB 3.39Å; N309-Y311 PolarHBondContact OD1-N 3.22Å; N309-N312 HydrophobicContact CB-CB 4.14Å; N309-N312 PolarHBondContact ND2-ND2 3.01Å; N309-N312 PolarHBondContact O-N 3.19Å; N309-N312 VanDerWaalsContact O-N 3.07Å; N309-A313 PolarHBondContact O-N 3.39Å
310	E	87.8	Confident	87.9	Confident	132 Å²	132	36.8 Å²	36.8	62%	0.617	17%	0.174	S	C	*	.	H	α-helix	trans	-55.8	-33.8	-180	-69.8	-173.5	-175	0	0	113.5	Q122 M126 M308 L314	Q122-E310 PolarHBondContact NE2-O 3.48Å; M126-E310 HydrophobicContact SD-CG 4.46Å; M308-E310 PolarHBondContact O-N 2.72Å; M308-E310 VanDerWaalsContact O-N 3.15Å; E310-L314 WeakPolarHBondContact O-CB 3.36Å; E310-L314 PolarHBondContact O-N 2.76Å
311	Y	86.9	Confident	87.9	Confident	102 Å²	102	36 Å²	36	40%	0.4	17%	0.171	S	C	.	.	H	α-helix	trans	-68.2	-41.6	179.5	179.3	-99.9	0	0	0	111.1	N309 L314 N315	N309-Y311 PolarHBondContact O-N 2.97Å; N309-Y311 VanDerWaalsContact O-N 3.15Å; N309-Y311 WeakPolarHBondContact OD1-CB 3.39Å; N309-Y311 PolarHBondContact OD1-N 3.22Å; Y311-L314 PolarHBondContact O-N 3.5Å; Y311-N315 WeakPolarHBondContact CE1-ND2 3.46Å; Y311-N315 PolarHBondContact O-N 2.77Å
312	N	86.4	Confident	87.9	Confident	19 Å²	19	39.7 Å²	39.7	10%	0.102	20%	0.201	C	C	.	.	H	α-helix	trans	-67.2	-44.4	176.7	-64.3	-1.4	0	0	0	110.6	E303 Y304 N309 L314 N315 E316	E303-N312 PolarHBondContact O-ND2 2.99Å; Y304-N312 WeakPolarHBondContact CA-ND2 3.5Å; Y304-N312 PolarHBondContact O-ND2 2.75Å; N309-N312 HydrophobicContact CB-CB 4.14Å; N309-N312 PolarHBondContact ND2-ND2 3.01Å; N309-N312 PolarHBondContact O-N 3.19Å; N309-N312 VanDerWaalsContact O-N 3.07Å; N312-L314 PolarHBondContact O-N 2.87Å; N312-N315 PolarHBondContact O-N 3.46Å; N312-N315 VanDerWaalsContact O-N 3.11Å; N312-E316 VanDerWaalsContact O-CB 3.31Å; N312-E316 WeakPolarHBondContact O-CB 3.46Å; N312-E316 PolarHBondContact O-N 3Å
313	A	89	Confident	87.8	Confident	7 Å²	7	40.4 Å²	40.4	6%	0.058	21%	0.209	C	C	.	.	H	α-helix	trans	-57.7	-34.7	174.8	0	0	0	0	0	112.2	Q122 I125 M126 N309 A317	Q122-A313 HydrophobicContact CG-CB 4.04Å; I125-A313 HydrophobicContact CG2-CB 4.01Å; M126-A313 HydrophobicContact CG-CB 3.98Å; M126-A313 HydrophobicContact SD-CB 3.79Å; N309-A313 PolarHBondContact O-N 3.39Å; A313-A317 VanDerWaalsContact O-CB 3.31Å; A313-A317 WeakPolarHBondContact O-CB 3.36Å; A313-A317 PolarHBondContact O-N 2.82Å
314	L	90.2	Very high	87.8	Confident	40 Å²	40	36.1 Å²	36.1	21%	0.209	19%	0.189	C	C	.	.	H	α-helix	trans	-72.6	-41.1	175.6	-179.2	61.3	0	0	0	112.6	A118 Q122 E310 Y311 N312 E316 A317 K318	A118-L314 HydrophobicContact CB-CD1 4.2Å; Q122-L314 HydrophobicContact CB-CD1 4.23Å; Q122-L314 HydrophobicContact CG-CB 4.07Å; E310-L314 WeakPolarHBondContact O-CB 3.36Å; E310-L314 PolarHBondContact O-N 2.76Å; Y311-L314 PolarHBondContact O-N 3.5Å; N312-L314 PolarHBondContact O-N 2.87Å; L314-E316 VanDerWaalsContact C-N 3.29Å; L314-A317 PolarHBondContact O-N 3.24Å; L314-K318 WeakPolarHBondContact O-CG 3.5Å; L314-K318 PolarHBondContact O-N 2.99Å
315	N	87.6	Confident	87.9	Confident	19 Å²	19	36.5 Å²	36.5	10%	0.102	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-39.5	176.4	-75.3	-8.7	0	0	0	110.8	Y311 N312 K318 Q319	Y311-N315 WeakPolarHBondContact CE1-ND2 3.46Å; Y311-N315 PolarHBondContact O-N 2.77Å; N312-N315 PolarHBondContact O-N 3.46Å; N312-N315 VanDerWaalsContact O-N 3.11Å; N315-K318 WeakPolarHBondContact O-CB 3.43Å; N315-K318 PolarHBondContact O-N 3.26Å; N315-Q319 WeakPolarHBondContact O-CG 3.22Å; N315-Q319 PolarHBondContact O-N 3.23Å
316	E	87.6	Confident	88.1	Confident	2 Å²	2	41 Å²	41	1%	0.009	21%	0.213	C	C	.	.	H	α-helix	trans	-60.2	-51.5	173.5	-174.4	51.7	-123.6	0	0	111.5	K64 F75 H76 V79 I125 N312 L314 K318 Q319 M320	K64-E316 WeakPolarHBondContact CE-OE2 3.32Å; K64-E316 IonicContact NZ-OE2 2.67Å; K64-E316 PolarHBondContact NZ-OE2 2.75Å; F75-E316 HydrophobicContact CE1-CG 3.72Å; F75-E316 VanDerWaalsContact CE1-OE2 3.28Å; F75-E316 WeakPolarHBondContact CE1-OE2 3.44Å; F75-E316 HydrophobicContact CZ-CG 4.47Å; H76-E316 IonicContact CE1-OE1 3.43Å; H76-E316 PolarHBondContact CE1-OE1 3.02Å; H76-E316 IonicContact CE1-OE2 2.99Å; H76-E316 IonicContact CG-OE1 3.79Å; H76-E316 IonicContact ND1-OE1 2.74Å; H76-E316 PolarHBondContact ND1-OE1 3.49Å; H76-E316 IonicContact ND1-OE2 2.73Å; V79-E316 HydrophobicContact CG2-CG 4.45Å; I125-E316 HydrophobicContact CD1-CB 4.22Å; I125-E316 HydrophobicContact CD1-CG 3.94Å; N312-E316 VanDerWaalsContact O-CB 3.31Å; N312-E316 WeakPolarHBondContact O-CB 3.46Å; N312-E316 PolarHBondContact O-N 3Å; L314-E316 VanDerWaalsContact C-N 3.29Å; E316-K318 PolarHBondContact O-N 2.71Å; E316-Q319 WeakPolarHBondContact O-CB 3.48Å; E316-Q319 PolarHBondContact O-N 3.1Å; E316-Q319 PolarHBondContact OE2-OE1 3.43Å; E316-M320 HydrophobicContact CG-SD 4.48Å; E316-M320 WeakPolarHBondContact O-CG 3.36Å; E316-M320 PolarHBondContact O-N 2.9Å; E316-M320 WeakPolarHBondContact OE1-CG 3.1Å
317	A	90.6	Very high	88.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-52.5	-42	174.3	0	0	0	0	0	112.8	A118 M121 Q122 I125 A313 L314 I321	A118-A317 WeakPolarHBondContact O-CB 3.4Å; M121-A317 HydrophobicContact CB-CB 3.73Å; M121-A317 HydrophobicContact CG-CB 3.71Å; Q122-A317 HydrophobicContact CB-CB 4.22Å; I125-A317 HydrophobicContact CD1-CB 4.18Å; A313-A317 VanDerWaalsContact O-CB 3.31Å; A313-A317 WeakPolarHBondContact O-CB 3.36Å; A313-A317 PolarHBondContact O-N 2.82Å; L314-A317 PolarHBondContact O-N 3.24Å; A317-I321 WeakPolarHBondContact O-CD1 3.35Å; A317-I321 WeakPolarHBondContact O-CG1 3.41Å; A317-I321 PolarHBondContact O-N 2.64Å
318	K	89.8	Confident	88.4	Confident	102 Å²	102	49.3 Å²	49.3	44%	0.443	25%	0.251	S	S	.	.	H	α-helix	trans	-68	-39.9	176.3	-69.9	168.9	-172.5	161.2	0	112.5	A118 L314 N315 E316 I321 A322	A118-K318 HydrophobicContact CB-CG 4.08Å; L314-K318 WeakPolarHBondContact O-CG 3.5Å; L314-K318 PolarHBondContact O-N 2.99Å; N315-K318 WeakPolarHBondContact O-CB 3.43Å; N315-K318 PolarHBondContact O-N 3.26Å; E316-K318 PolarHBondContact O-N 2.71Å; K318-I321 PolarHBondContact O-N 2.94Å; K318-A322 VanDerWaalsContact O-CB 3.29Å; K318-A322 WeakPolarHBondContact O-CB 3.47Å; K318-A322 PolarHBondContact O-N 2.68Å
319	Q	86.7	Confident	88.5	Confident	30 Å²	30	49.6 Å²	49.6	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-47.5	176.8	-74.8	176.8	-32	0	0	110.2	E283 N315 E316 I321 A322 V323	E283-Q319 PolarHBondContact OE1-NE2 2.96Å; N315-Q319 WeakPolarHBondContact O-CG 3.22Å; N315-Q319 PolarHBondContact O-N 3.23Å; E316-Q319 WeakPolarHBondContact O-CB 3.48Å; E316-Q319 PolarHBondContact O-N 3.1Å; E316-Q319 PolarHBondContact OE2-OE1 3.43Å; Q319-I321 VanDerWaalsContact C-N 3.33Å; Q319-I321 PolarHBondContact O-N 3.29Å; Q319-A322 PolarHBondContact O-N 3.45Å; Q319-A322 VanDerWaalsContact O-N 3.17Å; Q319-V323 WeakPolarHBondContact O-CG2 3.46Å; Q319-V323 PolarHBondContact O-N 3.39Å; Q319-V323 VanDerWaalsContact O-N 3.12Å
320	M	87.9	Confident	88.6	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-42.2	176.2	-63.9	-177.5	82.4	0	0	112.6	F80 M121 I125 E316 Y343 F344	F80-M320 HydrophobicContact CB-CE 3.7Å; F80-M320 HydrophobicContact CD2-CE 3.81Å; F80-M320 HydrophobicContact CG-CE 3.92Å; M121-M320 HydrophobicContact CG-SD 4.41Å; M121-M320 HydrophobicContact SD-SD 4.38Å; I125-M320 HydrophobicContact CD1-SD 4.1Å; E316-M320 HydrophobicContact CG-SD 4.48Å; E316-M320 WeakPolarHBondContact O-CG 3.36Å; E316-M320 PolarHBondContact O-N 2.9Å; E316-M320 WeakPolarHBondContact OE1-CG 3.1Å; M320-Y343 HydrophobicContact CB-CE1 4.41Å; M320-Y343 HydrophobicContact CG-CE1 4.31Å; M320-F344 HydrophobicContact CB-CE1 4.26Å; M320-F344 HydrophobicContact CE-CD1 3.49Å; M320-F344 VanDerWaalsContact CE-CD1 3.49Å; M320-F344 HydrophobicContact CE-CE1 3.49Å; M320-F344 VanDerWaalsContact CE-CE1 3.49Å
321	I	89.8	Confident	88.8	Confident	7 Å²	7	51 Å²	51	4%	0.036	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-48.8	174.7	-67.5	167.1	0	0	0	110.3	A118 A317 K318 Q319 V323 A324 D325 L332	A118-I321 HydrophobicContact CB-CD1 3.68Å; A118-I321 VanDerWaalsContact N-CD1 3.32Å; A317-I321 WeakPolarHBondContact O-CD1 3.35Å; A317-I321 WeakPolarHBondContact O-CG1 3.41Å; A317-I321 PolarHBondContact O-N 2.64Å; K318-I321 PolarHBondContact O-N 2.94Å; Q319-I321 VanDerWaalsContact C-N 3.33Å; Q319-I321 PolarHBondContact O-N 3.29Å; I321-V323 PolarHBondContact O-N 3.49Å; I321-V323 VanDerWaalsContact O-N 3.14Å; I321-A324 PolarHBondContact O-N 2.84Å; I321-A324 VanDerWaalsContact O-N 3.08Å; I321-D325 HydrophobicContact CG2-CB 3.98Å; I321-D325 WeakPolarHBondContact O-CB 3.41Å; I321-D325 PolarHBondContact O-N 3.18Å; I321-L332 HydrophobicContact CB-CD1 4.32Å; I321-L332 HydrophobicContact CB-CG 4.2Å; I321-L332 HydrophobicContact CG1-CD1 3.69Å; I321-L332 HydrophobicContact CG1-CG 3.8Å; I321-L332 HydrophobicContact CG2-CG 4.23Å
322	A	88.4	Confident	89	Confident	76 Å²	76	46.2 Å²	46.2	63%	0.628	24%	0.241	S	C	*	.	H	α-helix	trans	-61.2	-25.9	-176.6	0	0	0	0	0	114	K318 Q319	K318-A322 VanDerWaalsContact O-CB 3.29Å; K318-A322 WeakPolarHBondContact O-CB 3.47Å; K318-A322 PolarHBondContact O-N 2.68Å; Q319-A322 PolarHBondContact O-N 3.45Å; Q319-A322 VanDerWaalsContact O-N 3.17Å
323	V	86.8	Confident	89.2	Confident	67 Å²	67	48.6 Å²	48.6	41%	0.406	25%	0.252	S	S	.	.	H	α-helix	trans	-75	-33.2	177.2	172	0	0	0	0	112.3	Q319 I321 Y343	Q319-V323 WeakPolarHBondContact O-CG2 3.46Å; Q319-V323 PolarHBondContact O-N 3.39Å; Q319-V323 VanDerWaalsContact O-N 3.12Å; I321-V323 PolarHBondContact O-N 3.49Å; I321-V323 VanDerWaalsContact O-N 3.14Å; V323-Y343 HydrophobicContact CB-CD1 4.46Å; V323-Y343 HydrophobicContact CB-CE1 4.17Å; V323-Y343 HydrophobicContact CG1-CD1 4.02Å; V323-Y343 HydrophobicContact CG1-CD2 3.99Å; V323-Y343 HydrophobicContact CG1-CE1 4.15Å; V323-Y343 HydrophobicContact CG1-CE2 4.13Å; V323-Y343 HydrophobicContact CG1-CG 3.94Å; V323-Y343 HydrophobicContact CG2-CE1 4.39Å; V323-Y343 HydrophobicContact CG2-CE2 4.34Å
324	A	87.9	Confident	89.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-111.9	-16.4	-171.4	0	0	0	0	0	115	I321 E326 L332 E336 Y340 F344	I321-A324 PolarHBondContact O-N 2.84Å; I321-A324 VanDerWaalsContact O-N 3.08Å; A324-E326 PolarHBondContact O-N 2.91Å; A324-E326 VanDerWaalsContact O-N 3.11Å; A324-L332 HydrophobicContact CB-CD2 3.51Å; A324-E336 WeakPolarHBondContact O-CB 3.19Å; A324-Y340 HydrophobicContact CB-CD2 3.71Å; A324-Y340 HydrophobicContact CB-CG 3.77Å; A324-F344 HydrophobicContact CB-CE2 3.79Å; A324-F344 HydrophobicContact CB-CZ 4.03Å
325	D	90.1	Very high	89.1	Confident	18 Å²	18	54.5 Å²	54.5	10%	0.096	28%	0.278	C	S	.	.			trans	-70.4	95.9	177.1	177.6	9.1	0	0	0	111	I321 N327 Q328 N329 H330 L332	I321-D325 HydrophobicContact CG2-CB 3.98Å; I321-D325 WeakPolarHBondContact O-CB 3.41Å; I321-D325 PolarHBondContact O-N 3.18Å; D325-N327 PolarHBondContact OD1-N 2.73Å; D325-N327 PolarHBondContact OD1-OD1 3.36Å; D325-Q328 WeakPolarHBondContact OD1-CA 3.28Å; D325-Q328 PolarHBondContact OD1-N 3.26Å; D325-Q328 WeakPolarHBondContact OD2-CA 3.39Å; D325-N329 PolarHBondContact OD1-N 3.32Å; D325-N329 VanDerWaalsContact OD1-N 3.11Å; D325-N329 PolarHBondContact OD2-N 3.02Å; D325-H330 VanDerWaalsContact OD2-CA 3.27Å; D325-H330 WeakPolarHBondContact OD2-CA 3.02Å; D325-H330 PolarHBondContact OD2-N 3.02Å; D325-L332 HydrophobicContact CB-CD2 4.48Å
326	E	89	Confident	89.2	Confident	98 Å²	98	54 Å²	54	46%	0.458	28%	0.276	S	S	.	.	S	Bend	trans	-81.9	-31.8	-179.8	-66.7	-159.8	133.4	0	0	112.2	A324 Q328 E336 K339 Y340	A324-E326 PolarHBondContact O-N 2.91Å; A324-E326 VanDerWaalsContact O-N 3.11Å; E326-Q328 VanDerWaalsContact C-N 3.29Å; E326-E336 PolarHBondContact N-OE1 3.08Å; E326-K339 VanDerWaalsContact OE1-CE 3.27Å; E326-K339 WeakPolarHBondContact OE1-CE 3.22Å; E326-K339 IonicContact OE1-NZ 2.67Å; E326-K339 PolarHBondContact OE1-NZ 3.38Å; E326-K339 IonicContact OE2-NZ 3.28Å; E326-K339 PolarHBondContact OE2-NZ 3.13Å; E326-Y340 HydrophobicContact CG-CE2 3.75Å; E326-Y340 PolarHBondContact OE1-OH 3Å
327	N	89.3	Confident	89.1	Confident	76 Å²	76	54 Å²	54	41%	0.406	28%	0.276	S	S	.	.	S	Bend	trans	-87.7	-3.3	-175.7	70.2	25.7	0	0	0	112.7	D325 N329 E333 E336	D325-N327 PolarHBondContact OD1-N 2.73Å; D325-N327 PolarHBondContact OD1-OD1 3.36Å; N327-N329 PolarHBondContact ND2-ND2 3.42Å; N327-N329 VanDerWaalsContact ND2-ND2 3.17Å; N327-N329 PolarHBondContact O-N 3.37Å; N327-N329 WeakPolarHBondContact OD1-CB 3.41Å; N327-N329 PolarHBondContact OD1-N 3.3Å; N327-N329 PolarHBondContact OD1-ND2 3.22Å; N327-N329 VanDerWaalsContact OD1-ND2 3.16Å; N327-N329 PolarHBondContact OD1-OD1 3.5Å; N327-E333 PolarHBondContact ND2-OE1 3.21Å; N327-E336 PolarHBondContact N-OE1 2.94Å
328	Q	90.1	Very high	88.8	Confident	158 Å²	158	55 Å²	55	74%	0.738	28%	0.281	S	S	*	.			trans	57.6	33.6	178.8	-57.4	-175.7	-28.1	0	0	112.8	D325 E326 H330	D325-Q328 WeakPolarHBondContact OD1-CA 3.28Å; D325-Q328 PolarHBondContact OD1-N 3.26Å; D325-Q328 WeakPolarHBondContact OD2-CA 3.39Å; E326-Q328 VanDerWaalsContact C-N 3.29Å; Q328-H330 VanDerWaalsContact C-N 3.3Å
329	N	89.1	Confident	88.6	Confident	58 Å²	58	54 Å²	54	31%	0.31	28%	0.276	S	S	.	.	S	Bend	trans	-87.7	-0	179.4	77.7	10.7	0	0	0	113.1	D325 N327 N331 E333	D325-N329 PolarHBondContact OD1-N 3.32Å; D325-N329 VanDerWaalsContact OD1-N 3.11Å; D325-N329 PolarHBondContact OD2-N 3.02Å; N327-N329 PolarHBondContact ND2-ND2 3.42Å; N327-N329 VanDerWaalsContact ND2-ND2 3.17Å; N327-N329 PolarHBondContact O-N 3.37Å; N327-N329 WeakPolarHBondContact OD1-CB 3.41Å; N327-N329 PolarHBondContact OD1-N 3.3Å; N327-N329 PolarHBondContact OD1-ND2 3.22Å; N327-N329 VanDerWaalsContact OD1-ND2 3.16Å; N327-N329 PolarHBondContact OD1-OD1 3.5Å; N329-N331 PolarHBondContact O-N 2.85Å; N329-N331 WeakPolarHBondContact OD1-CA 3.42Å; N329-N331 WeakPolarHBondContact OD1-CB 3.48Å; N329-N331 PolarHBondContact OD1-N 3.32Å; N329-N331 PolarHBondContact OD1-O 2.73Å; N329-E333 PolarHBondContact ND2-OE1 2.87Å
330	H	89.6	Confident	88.5	Confident	145 Å²	145	56.2 Å²	56.2	67%	0.671	28%	0.284	S	S	*	.	S	Bend	trans	64.7	16.2	-178.1	-55.5	-53.9	0	0	0	115.5	D325 Q328	D325-H330 VanDerWaalsContact OD2-CA 3.27Å; D325-H330 WeakPolarHBondContact OD2-CA 3.02Å; D325-H330 PolarHBondContact OD2-N 3.02Å; Q328-H330 VanDerWaalsContact C-N 3.3Å
331	N	92	Very high	88.3	Confident	48 Å²	48	56.4 Å²	56.4	26%	0.257	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	161.7	172.2	-58.2	-39.1	0	0	0	108.7	V116 S117 N329	V116-N331 CarbonylContact O-C 3.59Å; V116-N331 VanDerWaalsContact O-CA 3.31Å; V116-N331 WeakPolarHBondContact O-CA 3.43Å; S117-N331 WeakPolarHBondContact CA-OD1 3.36Å; N329-N331 PolarHBondContact O-N 2.85Å; N329-N331 WeakPolarHBondContact OD1-CA 3.42Å; N329-N331 WeakPolarHBondContact OD1-CB 3.48Å; N329-N331 PolarHBondContact OD1-N 3.32Å; N329-N331 PolarHBondContact OD1-O 2.73Å
332	L	91.4	Very high	87.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122	173	-73	169.1	0	0	0	110.9	S115 V116 M121 I321 A324 D325 E336 I337 F344	S115-L332 CarbonylContact C-O 3.57Å; S115-L332 WeakPolarHBondContact CA-O 3.26Å; V116-L332 HydrophobicContact CB-CB 4.28Å; V116-L332 PolarHBondContact N-O 3.37Å; V116-L332 PolarHBondContact O-N 3.06Å; M121-L332 HydrophobicContact CE-CD1 3.86Å; I321-L332 HydrophobicContact CB-CD1 4.32Å; I321-L332 HydrophobicContact CB-CG 4.2Å; I321-L332 HydrophobicContact CG1-CD1 3.69Å; I321-L332 HydrophobicContact CG1-CG 3.8Å; I321-L332 HydrophobicContact CG2-CG 4.23Å; A324-L332 HydrophobicContact CB-CD2 3.51Å; D325-L332 HydrophobicContact CB-CD2 4.48Å; L332-E336 HydrophobicContact CD2-CB 4.35Å; L332-I337 HydrophobicContact CB-CD1 3.74Å; L332-I337 HydrophobicContact CB-CG1 3.99Å; L332-I337 HydrophobicContact CD1-CD1 4.17Å; L332-I337 HydrophobicContact CD1-CG1 4.1Å; L332-I337 HydrophobicContact CG-CG1 4.45Å; L332-F344 HydrophobicContact CD1-CE1 4.28Å; L332-F344 HydrophobicContact CD1-CZ 3.8Å
333	E	91.1	Very high	87.6	Confident	70 Å²	70	59.6 Å²	59.6	33%	0.327	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	157.9	169.5	-64.7	178	-172.9	0	0	110.6	N327 N329 E335 E336 I337	N327-E333 PolarHBondContact ND2-OE1 3.21Å; N329-E333 PolarHBondContact ND2-OE1 2.87Å; E333-E335 PolarHBondContact O-N 3.46Å; E333-E336 HydrophobicContact CB-CG 4.43Å; E333-E336 PolarHBondContact N-OE2 3.25Å; E333-E336 WeakPolarHBondContact O-CB 3.3Å; E333-E336 PolarHBondContact O-N 2.98Å; E333-E336 VanDerWaalsContact O-N 3.1Å; E333-I337 PolarHBondContact O-N 2.93Å; E333-I337 VanDerWaalsContact O-N 3.13Å
334	L	88.3	Confident	87.3	Confident	42 Å²	42	56.4 Å²	56.4	22%	0.22	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-39.2	-179.1	177.7	63.1	0	0	0	111.4	I102 F105 E336 I337 L338	I102-L334 HydrophobicContact CG1-CD1 4.01Å; I102-L334 HydrophobicContact CG1-CD2 4.36Å; F105-L334 HydrophobicContact CB-CD1 3.86Å; F105-L334 HydrophobicContact CD1-CB 4.33Å; F105-L334 HydrophobicContact CD1-CD1 4.02Å; F105-L334 HydrophobicContact CD2-CB 4.37Å; F105-L334 HydrophobicContact CD2-CD1 4.06Å; F105-L334 HydrophobicContact CE1-CB 4.12Å; F105-L334 HydrophobicContact CE2-CB 4.14Å; F105-L334 HydrophobicContact CG-CB 4.45Å; F105-L334 HydrophobicContact CG-CD1 3.7Å; F105-L334 HydrophobicContact CZ-CB 4.02Å; L334-E336 VanDerWaalsContact C-N 3.29Å; L334-E336 PolarHBondContact O-N 3.46Å; L334-I337 PolarHBondContact O-N 3.17Å; L334-L338 HydrophobicContact CD1-CD1 4.39Å; L334-L338 HydrophobicContact CD1-CG 4.22Å; L334-L338 HydrophobicContact CG-CD1 4.15Å; L334-L338 HydrophobicContact CG-CG 4.39Å; L334-L338 WeakPolarHBondContact O-CB 3.38Å; L334-L338 WeakPolarHBondContact O-CG 3.24Å; L334-L338 PolarHBondContact O-N 3.4Å
335	E	87.5	Confident	86.8	Confident	128 Å²	128	56.9 Å²	56.9	60%	0.598	27%	0.268	S	S	*	.	H	α-helix	trans	-59.7	-38.9	177.6	-70.1	75.6	-168.8	0	0	112.2	E333 K339	E333-E335 PolarHBondContact O-N 3.46Å; E335-K339 VanDerWaalsContact O-CB 3.32Å; E335-K339 WeakPolarHBondContact O-CB 3.31Å; E335-K339 PolarHBondContact O-N 3.45Å
336	E	89.8	Confident	85.8	Confident	10 Å²	10	58.1 Å²	58.1	5%	0.047	29%	0.285	C	S	.	.	H	α-helix	trans	-70.7	-46.8	179.9	-68.2	173.5	141.1	0	0	111.2	A324 E326 N327 L332 E333 L334 L338 K339 Y340	A324-E336 WeakPolarHBondContact O-CB 3.19Å; E326-E336 PolarHBondContact N-OE1 3.08Å; N327-E336 PolarHBondContact N-OE1 2.94Å; L332-E336 HydrophobicContact CD2-CB 4.35Å; E333-E336 HydrophobicContact CB-CG 4.43Å; E333-E336 PolarHBondContact N-OE2 3.25Å; E333-E336 WeakPolarHBondContact O-CB 3.3Å; E333-E336 PolarHBondContact O-N 2.98Å; E333-E336 VanDerWaalsContact O-N 3.1Å; L334-E336 VanDerWaalsContact C-N 3.29Å; L334-E336 PolarHBondContact O-N 3.46Å; E336-L338 VanDerWaalsContact C-N 3.29Å; E336-L338 PolarHBondContact O-N 2.86Å; E336-K339 WeakPolarHBondContact O-CB 3.49Å; E336-K339 PolarHBondContact O-N 2.97Å; E336-Y340 WeakPolarHBondContact O-CD2 3.07Å; E336-Y340 PolarHBondContact O-N 3.49Å
337	I	86.3	Confident	84.6	Confident	2 Å²	2	54.8 Å²	54.8	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-39.6	175.6	-76	165.2	0	0	0	111.4	L101 F105 L332 E333 L334 K339 S341 F344	L101-I337 HydrophobicContact CD1-CG2 3.78Å; L101-I337 HydrophobicContact CD2-CG2 3.85Å; L101-I337 HydrophobicContact CG-CG2 3.73Å; F105-I337 HydrophobicContact CD2-CD1 3.54Å; F105-I337 HydrophobicContact CE2-CD1 3.86Å; L332-I337 HydrophobicContact CB-CD1 3.74Å; L332-I337 HydrophobicContact CB-CG1 3.99Å; L332-I337 HydrophobicContact CD1-CD1 4.17Å; L332-I337 HydrophobicContact CD1-CG1 4.1Å; L332-I337 HydrophobicContact CG-CG1 4.45Å; E333-I337 PolarHBondContact O-N 2.93Å; E333-I337 VanDerWaalsContact O-N 3.13Å; L334-I337 PolarHBondContact O-N 3.17Å; I337-K339 VanDerWaalsContact C-N 3.33Å; I337-S341 VanDerWaalsContact O-CA 3.27Å; I337-S341 WeakPolarHBondContact O-CA 3.43Å; I337-S341 PolarHBondContact O-N 3.03Å; I337-F344 HydrophobicContact CG1-CE2 4.18Å; I337-F344 HydrophobicContact CG1-CZ 4.23Å
338	L	84.6	Confident	83	Confident	20 Å²	20	57 Å²	57	11%	0.105	28%	0.279	C	S	.	.	H	α-helix	trans	-66.8	-35.5	174.8	-70.8	-179.2	0	0	0	112	R98 L101 I102 L334 E336 S341 M350	R98-L338 HydrophobicContact CG-CD2 3.82Å; L101-L338 HydrophobicContact CB-CD2 4.43Å; L101-L338 HydrophobicContact CD2-CD2 3.93Å; L101-L338 HydrophobicContact CG-CD2 4.31Å; I102-L338 HydrophobicContact CG1-CD2 4.44Å; L334-L338 HydrophobicContact CD1-CD1 4.39Å; L334-L338 HydrophobicContact CD1-CG 4.22Å; L334-L338 HydrophobicContact CG-CD1 4.15Å; L334-L338 HydrophobicContact CG-CG 4.39Å; L334-L338 WeakPolarHBondContact O-CB 3.38Å; L334-L338 WeakPolarHBondContact O-CG 3.24Å; L334-L338 PolarHBondContact O-N 3.4Å; E336-L338 VanDerWaalsContact C-N 3.29Å; E336-L338 PolarHBondContact O-N 2.86Å; L338-S341 VanDerWaalsContact O-CB 3.27Å; L338-S341 WeakPolarHBondContact O-CB 2.99Å; L338-S341 PolarHBondContact O-OG 3.04Å; L338-M350 WeakPolarHBondContact O-CG 3.41Å
339	K	85.1	Confident	81.4	Confident	80 Å²	80	50.4 Å²	50.4	35%	0.348	25%	0.249	S	C	.	.	H	α-helix	trans	-71.4	-43.8	-180	-174.7	176.9	179.5	178.9	0	112.9	E326 E335 E336 I337 S341 M350	E326-K339 VanDerWaalsContact OE1-CE 3.27Å; E326-K339 WeakPolarHBondContact OE1-CE 3.22Å; E326-K339 IonicContact OE1-NZ 2.67Å; E326-K339 PolarHBondContact OE1-NZ 3.38Å; E326-K339 IonicContact OE2-NZ 3.28Å; E326-K339 PolarHBondContact OE2-NZ 3.13Å; E335-K339 VanDerWaalsContact O-CB 3.32Å; E335-K339 WeakPolarHBondContact O-CB 3.31Å; E335-K339 PolarHBondContact O-N 3.45Å; E336-K339 WeakPolarHBondContact O-CB 3.49Å; E336-K339 PolarHBondContact O-N 2.97Å; I337-K339 VanDerWaalsContact C-N 3.33Å; K339-S341 VanDerWaalsContact C-N 3.26Å; K339-S341 PolarHBondContact O-N 3.31Å; K339-M350 VanDerWaalsContact CA-CE 3.49Å; K339-M350 HydrophobicContact CB-CE 4.12Å; K339-M350 HydrophobicContact CG-CE 4.45Å
340	Y	85.6	Confident	79.3	Confident	78 Å²	78	51 Å²	51	31%	0.306	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	24.3	177.2	-69.2	-86.1	0	0	0	112.4	A324 E326 E336 E342 Y343 F344	A324-Y340 HydrophobicContact CB-CD2 3.71Å; A324-Y340 HydrophobicContact CB-CG 3.77Å; E326-Y340 HydrophobicContact CG-CE2 3.75Å; E326-Y340 PolarHBondContact OE1-OH 3Å; E336-Y340 WeakPolarHBondContact O-CD2 3.07Å; E336-Y340 PolarHBondContact O-N 3.49Å; Y340-E342 PolarHBondContact O-N 2.69Å; Y340-E342 VanDerWaalsContact O-N 3.11Å; Y340-Y343 WeakPolarHBondContact O-CB 3.41Å; Y340-Y343 PolarHBondContact O-N 3.43Å; Y340-F344 WeakPolarHBondContact O-CD2 3.49Å
341	S	81.8	Confident	77.2	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-54.9	-33.4	-175.8	43.5	0	0	0	0	113.8	I337 L338 K339 Y343 F344 T345 L349	I337-S341 VanDerWaalsContact O-CA 3.27Å; I337-S341 WeakPolarHBondContact O-CA 3.43Å; I337-S341 PolarHBondContact O-N 3.03Å; L338-S341 VanDerWaalsContact O-CB 3.27Å; L338-S341 WeakPolarHBondContact O-CB 2.99Å; L338-S341 PolarHBondContact O-OG 3.04Å; K339-S341 VanDerWaalsContact C-N 3.26Å; K339-S341 PolarHBondContact O-N 3.31Å; S341-Y343 VanDerWaalsContact C-N 3.27Å; S341-Y343 PolarHBondContact O-N 2.95Å; S341-F344 PolarHBondContact O-N 2.91Å; S341-F344 VanDerWaalsContact O-N 3.17Å; S341-T345 PolarHBondContact O-N 3.08Å; S341-T345 PolarHBondContact O-OG1 3.25Å; S341-L349 WeakPolarHBondContact OG-CB 3.31Å
342	E	81.3	Confident	75.1	Confident	95 Å²	95	52.7 Å²	52.7	44%	0.444	25%	0.254	S	S	.	.	H	α-helix	trans	-59.2	-35	174.3	-176.6	172.9	-173	0	0	113.1	Y340 G346 S347 K348	Y340-E342 PolarHBondContact O-N 2.69Å; Y340-E342 VanDerWaalsContact O-N 3.11Å; E342-G346 WeakPolarHBondContact O-CA 3.29Å; E342-G346 PolarHBondContact O-N 2.94Å; E342-S347 WeakPolarHBondContact CA-O 3.45Å; E342-K348 HydrophobicContact CG-CG 4.3Å; E342-K348 WeakPolarHBondContact OE1-CE 3.43Å; E342-K348 WeakPolarHBondContact OE1-CG 3.24Å
343	Y	82.4	Confident	72.8	Confident	56 Å²	56	55 Å²	55	22%	0.22	27%	0.273	C	S	.	.	H	α-helix	trans	-68.7	-41.5	176.2	179.2	-102	0	0	0	111.5	H76 M320 V323 Y340 S341	H76-Y343 AromaticContact CD2-CE2 3.9Å; H76-Y343 AromaticContact CD2-CZ 3.74Å; H76-Y343 PolarHBondContact CD2-OH 2.76Å; H76-Y343 VanDerWaalsContact CD2-OH 3.24Å; H76-Y343 PolarHBondContact CE1-OH 3.27Å; H76-Y343 AromaticContact CG-CZ 3.95Å; H76-Y343 PolarHBondContact NE2-OH 3.5Å; M320-Y343 HydrophobicContact CB-CE1 4.41Å; M320-Y343 HydrophobicContact CG-CE1 4.31Å; V323-Y343 HydrophobicContact CB-CD1 4.46Å; V323-Y343 HydrophobicContact CB-CE1 4.17Å; V323-Y343 HydrophobicContact CG1-CD1 4.02Å; V323-Y343 HydrophobicContact CG1-CD2 3.99Å; V323-Y343 HydrophobicContact CG1-CE1 4.15Å; V323-Y343 HydrophobicContact CG1-CE2 4.13Å; V323-Y343 HydrophobicContact CG1-CG 3.94Å; V323-Y343 HydrophobicContact CG2-CE1 4.39Å; V323-Y343 HydrophobicContact CG2-CE2 4.34Å; Y340-Y343 WeakPolarHBondContact O-CB 3.41Å; Y340-Y343 PolarHBondContact O-N 3.43Å; S341-Y343 VanDerWaalsContact C-N 3.27Å; S341-Y343 PolarHBondContact O-N 2.95Å
344	F	81.6	Confident	70.7	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-79	-30.7	-178.1	-68.1	-80.4	0	0	0	113.8	F80 M121 M320 A324 L332 I337 Y340 S341	F80-F344 HydrophobicContact CD1-CB 3.8Å; F80-F344 AromaticContact CD1-CD1 3.96Å; F80-F344 HydrophobicContact CD1-CD1 3.96Å; F80-F344 HydrophobicContact CD1-CG 4.33Å; F80-F344 AromaticContact CD2-CD1 3.93Å; F80-F344 HydrophobicContact CD2-CD1 3.93Å; F80-F344 HydrophobicContact CD2-CE1 4.46Å; F80-F344 HydrophobicContact CE1-CB 3.77Å; F80-F344 AromaticContact CE1-CD1 3.98Å; F80-F344 HydrophobicContact CE1-CD1 3.98Å; F80-F344 HydrophobicContact CE1-CG 4.18Å; F80-F344 AromaticContact CE2-CD1 3.94Å; F80-F344 HydrophobicContact CE2-CD1 3.94Å; F80-F344 HydrophobicContact CE2-CE1 4.36Å; F80-F344 AromaticContact CG-CD1 3.94Å; F80-F344 HydrophobicContact CG-CD1 3.94Å; F80-F344 HydrophobicContact CZ-CB 4.47Å; F80-F344 AromaticContact CZ-CD1 3.96Å; F80-F344 HydrophobicContact CZ-CD1 3.96Å; F80-F344 HydrophobicContact CZ-CG 4.42Å; M121-F344 HydrophobicContact CE-CE1 4.34Å; M320-F344 HydrophobicContact CB-CE1 4.26Å; M320-F344 HydrophobicContact CE-CD1 3.49Å; M320-F344 VanDerWaalsContact CE-CD1 3.49Å; M320-F344 HydrophobicContact CE-CE1 3.49Å; M320-F344 VanDerWaalsContact CE-CE1 3.49Å; A324-F344 HydrophobicContact CB-CE2 3.79Å; A324-F344 HydrophobicContact CB-CZ 4.03Å; L332-F344 HydrophobicContact CD1-CE1 4.28Å; L332-F344 HydrophobicContact CD1-CZ 3.8Å; I337-F344 HydrophobicContact CG1-CE2 4.18Å; I337-F344 HydrophobicContact CG1-CZ 4.23Å; Y340-F344 WeakPolarHBondContact O-CD2 3.49Å; S341-F344 PolarHBondContact O-N 2.91Å; S341-F344 VanDerWaalsContact O-N 3.17Å
345	T	77.2	Confident	68.6	Low	9 Å²	9	61.4 Å²	61.4	6%	0.055	30%	0.298	C	S	.	.	H	α-helix	trans	-113.8	-8.4	-173.2	71.4	0	0	0	0	114.4	L81 F88 L101 S341 S347 L349	L81-T345 HydrophobicContact CD1-CG2 4.42Å; L81-T345 HydrophobicContact CD2-CG2 4.33Å; F88-T345 HydrophobicContact CD1-CG2 3.93Å; F88-T345 HydrophobicContact CE1-CG2 3.84Å; L101-T345 HydrophobicContact CD1-CG2 4.29Å; L101-T345 HydrophobicContact CD2-CG2 4.45Å; S341-T345 PolarHBondContact O-N 3.08Å; S341-T345 PolarHBondContact O-OG1 3.25Å; T345-S347 PolarHBondContact O-N 2.89Å; T345-S347 PolarHBondContact O-OG 3.26Å; T345-S347 PolarHBondContact OG1-N 3.25Å; T345-S347 PolarHBondContact OG1-O 2.99Å; T345-S347 PolarHBondContact OG1-OG 3.01Å; T345-L349 HydrophobicContact CG2-CD1 3.75Å; T345-L349 WeakPolarHBondContact OG1-CD1 3.25Å
346	G	68.6	Low	67	Low	44 Å²	44	58.8 Å²	58.8	45%	0.454	29%	0.291	S	S	.	.	S	Bend	trans	66.6	-11.2	-174.6	0	0	0	0	0	114.3	E342	E342-G346 WeakPolarHBondContact O-CA 3.29Å; E342-G346 PolarHBondContact O-N 2.94Å
347	S	63.1	Low	65.1	Low	29 Å²	29	66.2 Å²	66.2	20%	0.203	33%	0.325	C	S	.	.	S	Bend	trans	-102.2	137.9	179.6	51	0	0	0	0	110.7	E342 T345 L349	E342-S347 WeakPolarHBondContact CA-O 3.45Å; T345-S347 PolarHBondContact O-N 2.89Å; T345-S347 PolarHBondContact O-OG 3.26Å; T345-S347 PolarHBondContact OG1-N 3.25Å; T345-S347 PolarHBondContact OG1-O 2.99Å; T345-S347 PolarHBondContact OG1-OG 3.01Å; S347-L349 PolarHBondContact O-N 3.2Å
348	K	57.4	Low	62.9	Low	123 Å²	123	73.7 Å²	73.7	54%	0.535	36%	0.36	S	S	.	.			trans	-68.6	78.8	176.3	-75	-174.5	165.8	-151.8	0	111.6	E342 M350 D351	E342-K348 HydrophobicContact CG-CG 4.3Å; E342-K348 WeakPolarHBondContact OE1-CE 3.43Å; E342-K348 WeakPolarHBondContact OE1-CG 3.24Å; K348-M350 VanDerWaalsContact C-N 3.33Å; K348-D351 HydrophobicContact CB-CB 4.47Å; K348-D351 HydrophobicContact CD-CB 4.5Å; K348-D351 IonicContact NZ-OD2 2.74Å; K348-D351 PolarHBondContact NZ-OD2 3.41Å
349	L	55.2	Low	60.6	Low	18 Å²	18	80 Å²	80	9%	0.094	39%	0.389	C	S	.	.	S	Bend	trans	-73	-26.6	177.3	-67.1	-176.9	0	0	0	112.8	F88 N97 L101 S341 T345 S347	F88-L349 HydrophobicContact CE1-CD1 4.41Å; N97-L349 HydrophobicContact CB-CD1 3.98Å; N97-L349 HydrophobicContact CB-CD2 3.22Å; N97-L349 HydrophobicContact CB-CG 4.26Å; N97-L349 WeakPolarHBondContact ND2-CD2 3.34Å; L101-L349 HydrophobicContact CD2-CD1 4.33Å; S341-L349 WeakPolarHBondContact OG-CB 3.31Å; T345-L349 HydrophobicContact CG2-CD1 3.75Å; T345-L349 WeakPolarHBondContact OG1-CD1 3.25Å; S347-L349 PolarHBondContact O-N 3.2Å
350	M	46.3	Very low	58.3	Low	72 Å²	72	89.1 Å²	89.1	36%	0.355	43%	0.429	S	S	.	.	S	Bend	trans	-101.1	-19.8	-169.8	-94.5	-67.8	-143.8	0	0	116.1	L338 K339 K348 Y352 A353 R354	L338-M350 WeakPolarHBondContact O-CG 3.41Å; K339-M350 VanDerWaalsContact CA-CE 3.49Å; K339-M350 HydrophobicContact CB-CE 4.12Å; K339-M350 HydrophobicContact CG-CE 4.45Å; K348-M350 VanDerWaalsContact C-N 3.33Å; M350-Y352 PolarHBondContact O-N 2.92Å; M350-Y352 VanDerWaalsContact O-N 3.14Å; M350-A353 PolarHBondContact O-N 3.42Å; M350-A353 HydrophobicContact SD-CB 4.15Å; M350-R354 PolarHBondContact O-N 2.94Å
351	D	45.7	Very low	57	Low	71 Å²	71	89.7 Å²	89.7	38%	0.38	44%	0.435	S	S	.	.	H	α-helix	trans	-63.2	-24.9	-178.7	-115.6	-14.6	0	0	0	111.6	K348 N355	K348-D351 HydrophobicContact CB-CB 4.47Å; K348-D351 HydrophobicContact CD-CB 4.5Å; K348-D351 IonicContact NZ-OD2 2.74Å; K348-D351 PolarHBondContact NZ-OD2 3.41Å; D351-N355 WeakPolarHBondContact O-CB 3.37Å; D351-N355 PolarHBondContact O-N 3.09Å; D351-N355 VanDerWaalsContact O-N 3.16Å; D351-N355 PolarHBondContact O-ND2 3.17Å
352	Y	46.6	Very low	55.7	Low	156 Å²	156	94.2 Å²	94.2	61%	0.612	46%	0.457	S	S	*	.	H	α-helix	trans	-78	-40	177	-153.3	-97	0	0	0	113.3	M350 R354 N355 V356	M350-Y352 PolarHBondContact O-N 2.92Å; M350-Y352 VanDerWaalsContact O-N 3.14Å; Y352-R354 VanDerWaalsContact C-N 3.33Å; Y352-R354 PolarHBondContact O-N 3.42Å; Y352-N355 PolarHBondContact O-N 3.22Å; Y352-V356 HydrophobicContact CD1-CG2 3.64Å; Y352-V356 HydrophobicContact CE1-CG2 3.49Å; Y352-V356 VanDerWaalsContact CE1-CG2 3.49Å; Y352-V356 HydrophobicContact CG-CG2 4.35Å; Y352-V356 WeakPolarHBondContact O-CB 3.27Å; Y352-V356 WeakPolarHBondContact O-CG2 3.28Å; Y352-V356 PolarHBondContact O-N 3.02Å
353	A	43.6	Very low	54.2	Low	48 Å²	48	94.2 Å²	94.2	40%	0.397	46%	0.458	S	S	.	.	H	α-helix	trans	-69.1	-33.1	-179.1	0	0	0	0	0	112	M350 H357	M350-A353 PolarHBondContact O-N 3.42Å; M350-A353 HydrophobicContact SD-CB 4.15Å; A353-H357 PolarHBondContact O-CD2 3.02Å; A353-H357 PolarHBondContact O-N 3.39Å
354	R	46.4	Very low	52.6	Low	156 Å²	156	96.4 Å²	96.4	59%	0.589	47%	0.472	S	S	*	.	H	α-helix	trans	-73.8	-42.5	174.1	-156.8	178.5	-80.8	179.3	-2.2	111.4	M350 Y352 V356 H357 E358	M350-R354 PolarHBondContact O-N 2.94Å; Y352-R354 VanDerWaalsContact C-N 3.33Å; Y352-R354 PolarHBondContact O-N 3.42Å; R354-V356 VanDerWaalsContact C-N 3.34Å; R354-V356 PolarHBondContact O-N 3.37Å; R354-H357 PolarHBondContact O-N 2.66Å; R354-E358 PolarHBondContact O-N 3.09Å
355	N	44.3	Very low	50.8	Low	91 Å²	91	102.4 Å²	102.4	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-63.9	-34	176.3	-75.1	-19.8	0	0	0	113.7	D351 Y352 H357	D351-N355 WeakPolarHBondContact O-CB 3.37Å; D351-N355 PolarHBondContact O-N 3.09Å; D351-N355 VanDerWaalsContact O-N 3.16Å; D351-N355 PolarHBondContact O-ND2 3.17Å; Y352-N355 PolarHBondContact O-N 3.22Å; N355-H357 VanDerWaalsContact C-N 3.33Å
356	V	53.4	Low	49	Very low	73 Å²	73	108.7 Å²	108.7	44%	0.442	53%	0.531	S	S	.	.	H	α-helix	trans	-81.1	-13.4	179.5	-177.4	0	0	0	0	112.7	Y352 R354	Y352-V356 HydrophobicContact CD1-CG2 3.64Å; Y352-V356 HydrophobicContact CE1-CG2 3.49Å; Y352-V356 VanDerWaalsContact CE1-CG2 3.49Å; Y352-V356 HydrophobicContact CG-CG2 4.35Å; Y352-V356 WeakPolarHBondContact O-CB 3.27Å; Y352-V356 WeakPolarHBondContact O-CG2 3.28Å; Y352-V356 PolarHBondContact O-N 3.02Å; R354-V356 VanDerWaalsContact C-N 3.34Å; R354-V356 PolarHBondContact O-N 3.37Å
357	H	51.4	Low	47.6	Very low	167 Å²	167	113.3 Å²	113.3	77%	0.773	54%	0.536	S	S	*	.	H	α-helix	trans	-100.5	-8.9	175.5	-79.1	-55.1	0	0	0	114.3	A353 R354 N355	A353-H357 PolarHBondContact O-CD2 3.02Å; A353-H357 PolarHBondContact O-N 3.39Å; R354-H357 PolarHBondContact O-N 2.66Å; N355-H357 VanDerWaalsContact C-N 3.33Å
358	E	40.2	Very low	46.4	Very low	158 Å²	158	119.8 Å²	119.8	74%	0.738	56%	0.562	S	S	*	*	H	α-helix	trans	-95.5	-22.2	171.2	-74	-172.6	177.7	0	0	113.6	R354	R354-E358 PolarHBondContact O-N 3.09Å
359	E	36.1	Very low	45.5	Very low	153 Å²	153	119.5 Å²	119.5	72%	0.715	56%	0.564	S	S	*	*			trans	-96.6	83.6	166.6	-70.1	-171.1	166.7	0	0	109.7
360	F	36.8	Very low	44.6	Very low	271 Å²	271	128.7 Å²	128.7	100%	1.189	61%	0.607	S	S	*	*			trans	-178.4	0	142.6	-89.4	-59.9	0	0	0	112.1

Retrieved 360 of 360 residues in 932.7 ms (Link to these results)

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