A0A087XV54_POEFO Loading...

Stanniocalcin

Its primary function is the prevention of hypercalcemia. Upon release into the circulation, it lowers calcium transport by the gills, thereby reducing its rate of influx from the environment into the extracellular compartment. STC also stimulates phosphate reabsorption by renal proximal tubules. The consequence of this action is increased levels of plasma phosphate, which combines with excess calcium and promotes its disposal into bone and scales.

AlphaFold DB , UniProt , Accession A0A087XV54, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 277 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	34	Very low	37.6	Very low	245 Å²	245	149.1 Å²	149.1	100%	1.207	76%	0.757	S	S	*	*				0	116.9	0	-79.1	156.8	109.9	0	0	108.3
2	N	29.5	Very low	38.3	Very low	158 Å²	158	142 Å²	142	85%	0.845	74%	0.738	S	S	*	*			trans	-76.1	132	-171	-75.3	-20.2	0	0	0	111.8
3	C	30.1	Very low	39	Very low	134 Å²	134	143.2 Å²	143.2	91%	0.905	73%	0.734	S	S	*	*			trans	-78.1	115.9	161.9	-90.3	0	0	0	0	109.3
4	T	41.6	Very low	39.3	Very low	98 Å²	98	139 Å²	139	60%	0.601	72%	0.724	S	S	*	*			trans	-80.2	141.1	-178.8	44.2	0	0	0	0	112.3	S6 R7	T4-S6 PolarHBondContact O-N 3.19Å; T4-R7 PolarHBondContact O-N 3.35Å
5	Q	40.4	Very low	39.3	Very low	142 Å²	142	135.3 Å²	135.3	66%	0.664	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	-13.4	-178.1	-165.1	80	-13.7	0	0	114.9	R7	Q5-R7 PolarHBondContact O-N 3.38Å
6	S	34.2	Very low	39.7	Very low	91 Å²	91	131 Å²	131	64%	0.636	70%	0.703	S	S	*	*	H	α-helix	trans	-69.4	-29.5	-179.1	-156.1	0	0	0	0	113.4	T4 K8	T4-S6 PolarHBondContact O-N 3.19Å; S6-K8 PolarHBondContact O-N 2.92Å
7	R	39.8	Very low	40.1	Very low	199 Å²	199	130.7 Å²	130.7	75%	0.751	70%	0.7	S	S	*	*	H	α-helix	trans	-75.9	-18.6	179.1	-77	-173	-174.5	-166.7	1.3	114.6	T4 Q5 R9 C11	T4-R7 PolarHBondContact O-N 3.35Å; Q5-R7 PolarHBondContact O-N 3.38Å; R7-R9 VanDerWaalsContact C-N 3.34Å; R7-C11 PolarHBondContact O-N 2.88Å
8	K	38.3	Very low	40	Very low	151 Å²	151	128.4 Å²	128.4	66%	0.657	70%	0.696	S	S	*	*	H	α-helix	trans	-70.4	-30.4	178.4	-69.8	-179.7	-178.9	172.2	0	112.5	S6 A12	S6-K8 PolarHBondContact O-N 2.92Å; K8-A12 PolarHBondContact O-N 2.72Å
9	R	44.3	Very low	40.2	Very low	198 Å²	198	127.2 Å²	127.2	75%	0.747	70%	0.697	S	S	*	*	H	α-helix	trans	-76.1	-37.2	178.4	-69	-173.7	-179.9	-145.3	0.2	112.2	R7 A12 F13	R7-R9 VanDerWaalsContact C-N 3.34Å; R9-A12 PolarHBondContact O-N 3.39Å; R9-F13 WeakPolarHBondContact O-CD2 3.44Å; R9-F13 PolarHBondContact O-N 3.3Å
10	L	41.5	Very low	40.3	Very low	131 Å²	131	123.8 Å²	123.8	69%	0.686	69%	0.686	S	S	*	*	H	α-helix	trans	-65.7	-38.6	176.6	-110.1	73.5	0	0	0	112.7	A12 F13 S14	L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 2.91Å; L10-F13 PolarHBondContact O-N 3.31Å; L10-S14 PolarHBondContact O-N 3.29Å; L10-S14 VanDerWaalsContact O-N 3.15Å
11	C	40.4	Very low	40.6	Very low	93 Å²	93	126.1 Å²	126.1	63%	0.628	69%	0.692	S	S	*	*	H	α-helix	trans	-67.1	-32.4	175.2	-75.2	0	0	0	0	113.2	R7 C15	R7-C11 PolarHBondContact O-N 2.88Å; C11-C15 PolarHBondContact O-N 3.39Å; C11-C15 VanDerWaalsContact O-N 3.16Å
12	A	46	Very low	41.5	Very low	64 Å²	64	124.9 Å²	124.9	53%	0.529	67%	0.674	S	S	.	*	H	α-helix	trans	-68.9	-36	177.2	0	0	0	0	0	112.4	K8 R9 L10 A16	K8-A12 PolarHBondContact O-N 2.72Å; R9-A12 PolarHBondContact O-N 3.39Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 2.91Å; A12-A16 PolarHBondContact O-N 3.43Å
13	F	46.5	Very low	43	Very low	157 Å²	157	124 Å²	124	69%	0.689	67%	0.674	S	S	*	*	H	α-helix	trans	-71.9	-39.8	175.6	-89.4	-85.9	0	0	0	112.7	R9 L10 C15 A16 I17	R9-F13 WeakPolarHBondContact O-CD2 3.44Å; R9-F13 PolarHBondContact O-N 3.3Å; L10-F13 PolarHBondContact O-N 3.31Å; F13-C15 VanDerWaalsContact C-N 3.33Å; F13-C15 PolarHBondContact O-N 3.11Å; F13-A16 PolarHBondContact O-N 2.97Å; F13-I17 WeakPolarHBondContact O-CG1 3.35Å; F13-I17 PolarHBondContact O-N 3.41Å
14	S	43.4	Very low	44	Very low	85 Å²	85	123 Å²	123	59%	0.594	66%	0.658	S	S	*	*	H	α-helix	trans	-65.5	-33.8	175.7	-95.2	0	0	0	0	113.2	L10 S18	L10-S14 PolarHBondContact O-N 3.29Å; L10-S14 VanDerWaalsContact O-N 3.15Å; S14-S18 PolarHBondContact O-N 2.89Å
15	C	39.2	Very low	45.1	Very low	84 Å²	84	122.4 Å²	122.4	57%	0.568	66%	0.655	S	S	*	*	H	α-helix	trans	-72.9	-32.4	179.5	-143.1	0	0	0	0	112.4	C11 F13 S18 C19	C11-C15 PolarHBondContact O-N 3.39Å; C11-C15 VanDerWaalsContact O-N 3.16Å; F13-C15 VanDerWaalsContact C-N 3.33Å; F13-C15 PolarHBondContact O-N 3.11Å; C15-S18 PolarHBondContact O-N 3.37Å; C15-C19 PolarHBondContact O-N 3.12Å
16	A	45.4	Very low	45.9	Very low	66 Å²	66	123.2 Å²	123.2	55%	0.545	66%	0.664	S	S	.	*	H	α-helix	trans	-70	-35.1	176.2	0	0	0	0	0	112.8	A12 F13	A12-A16 PolarHBondContact O-N 3.43Å; F13-A16 PolarHBondContact O-N 2.97Å
17	I	46.2	Very low	47.2	Very low	126 Å²	126	128.9 Å²	128.9	65%	0.646	67%	0.671	S	S	*	*	H	α-helix	trans	-70	-37.7	177.1	-64.4	167.3	0	0	0	110.4	F13 C19 A20	F13-I17 WeakPolarHBondContact O-CG1 3.35Å; F13-I17 PolarHBondContact O-N 3.41Å; I17-C19 PolarHBondContact O-N 3.33Å; I17-A20 PolarHBondContact O-N 3.4Å
18	S	39.4	Very low	48.4	Very low	89 Å²	89	122.6 Å²	122.6	62%	0.622	66%	0.655	S	S	*	*	H	α-helix	trans	-75.7	-19	-176.9	-152.3	0	0	0	0	114.3	S14 C15	S14-S18 PolarHBondContact O-N 2.89Å; C15-S18 PolarHBondContact O-N 3.37Å
19	C	43.3	Very low	49.9	Very low	106 Å²	106	116.7 Å²	116.7	72%	0.716	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	-8.2	177.2	-77.9	0	0	0	0	114.3	C15 I17 E21	C15-C19 PolarHBondContact O-N 3.12Å; I17-C19 PolarHBondContact O-N 3.33Å; C19-E21 VanDerWaalsContact C-N 3.32Å
20	A	42.5	Very low	51.1	Low	59 Å²	59	112.9 Å²	112.9	49%	0.488	63%	0.631	S	S	.	*	S	Bend	trans	-87.9	1.7	179.1	0	0	0	0	0	113.7	I17 R22	I17-A20 PolarHBondContact O-N 3.4Å; A20-R22 VanDerWaalsContact C-N 3.35Å; A20-R22 PolarHBondContact O-N 3.13Å
21	E	45.6	Very low	52.5	Low	172 Å²	172	114 Å²	114	80%	0.804	63%	0.63	S	S	*	*			trans	-98	30.6	-177.2	-146.3	173.7	165.2	0	0	113	C19	C19-E21 VanDerWaalsContact C-N 3.32Å
22	R	54.1	Low	53.9	Low	219 Å²	219	113.5 Å²	113.5	83%	0.826	62%	0.621	S	S	*	*	S	Bend	trans	-127.6	100.1	166.8	-101.5	178.1	-168.5	-173	3.5	110.7	A20	A20-R22 VanDerWaalsContact C-N 3.35Å; A20-R22 PolarHBondContact O-N 3.13Å
23	T	60	Low	55	Low	139 Å²	139	115.4 Å²	115.4	85%	0.853	62%	0.622	S	S	*	*			trans	55.2	69.6	160.6	58	0	0	0	0	115.6
24	M	52.6	Low	56.2	Low	115 Å²	115	114.2 Å²	114.2	57%	0.567	62%	0.62	S	S	*	*			trans	-91.8	131.1	158	-72.5	-158.1	-171.2	0	0	110.3	L26 L32	M24-L26 PolarHBondContact O-N 3.48Å; M24-L32 HydrophobicContact SD-CD1 4.08Å
25	P	63.6	Low	57.4	Low	84 Å²	84	114.7 Å²	114.7	55%	0.545	62%	0.619	S	S	.	*			trans	-61.2	135.5	171.4	-12.3	23.5	0	0	0	109.7	R27 T28 G29	P25-R27 PolarHBondContact O-N 3.47Å; P25-T28 WeakPolarHBondContact CG-OG1 3.37Å; P25-T28 WeakPolarHBondContact O-CB 3.45Å; P25-T28 PolarHBondContact O-N 3.48Å; P25-T28 PolarHBondContact O-OG1 3.36Å; P25-G29 PolarHBondContact O-N 3.4Å; P25-G29 VanDerWaalsContact O-N 3.16Å
26	L	58.2	Low	58.7	Low	160 Å²	160	116 Å²	116	84%	0.838	62%	0.62	S	S	*	*	H	α-helix	trans	-49.7	-32.2	179.9	-175	66.5	0	0	0	113.2	M24 L30	M24-L26 PolarHBondContact O-N 3.48Å; L26-L30 PolarHBondContact O-N 2.83Å; L26-L30 VanDerWaalsContact O-N 3.09Å
27	R	61.3	Low	59.4	Low	209 Å²	209	116.7 Å²	116.7	79%	0.789	61%	0.614	S	S	*	*	H	α-helix	trans	-66.3	-42.3	175.1	-74.7	-176.1	168.5	-176.5	-3.5	112.8	P25 L30 F31	P25-R27 PolarHBondContact O-N 3.47Å; R27-L30 PolarHBondContact O-N 3.2Å; R27-F31 VanDerWaalsContact O-CD2 3.23Å; R27-F31 WeakPolarHBondContact O-CD2 3.4Å; R27-F31 PolarHBondContact O-N 3.42Å; R27-F31 VanDerWaalsContact O-N 3.07Å
28	T	65.1	Low	59.9	Low	68 Å²	68	113.4 Å²	113.4	42%	0.417	61%	0.606	S	S	.	*	H	α-helix	trans	-70.6	-36	179.3	-32.5	0	0	0	0	111.3	P25 F31 L32	P25-T28 WeakPolarHBondContact CG-OG1 3.37Å; P25-T28 WeakPolarHBondContact O-CB 3.45Å; P25-T28 PolarHBondContact O-N 3.48Å; P25-T28 PolarHBondContact O-OG1 3.36Å; T28-F31 PolarHBondContact O-N 2.81Å; T28-L32 WeakPolarHBondContact O-CG 3.49Å; T28-L32 PolarHBondContact O-N 3.21Å
29	G	69.4	Low	60.6	Low	27 Å²	27	112.2 Å²	112.2	28%	0.278	60%	0.598	S	S	.	*	H	α-helix	trans	-62.6	-40.4	171.9	0	0	0	0	0	112.6	P25 L32 L33	P25-G29 PolarHBondContact O-N 3.4Å; P25-G29 VanDerWaalsContact O-N 3.16Å; G29-L32 PolarHBondContact O-N 3.21Å; G29-L33 WeakPolarHBondContact O-CB 3.32Å; G29-L33 PolarHBondContact O-N 2.86Å
30	L	70.3	Confident	60.8	Low	117 Å²	117	109.3 Å²	109.3	61%	0.613	58%	0.581	S	S	*	*	H	α-helix	trans	-68	-39	177	-159.6	77.6	0	0	0	112.4	L26 R27 L33 M34	L26-L30 PolarHBondContact O-N 2.83Å; L26-L30 VanDerWaalsContact O-N 3.09Å; R27-L30 PolarHBondContact O-N 3.2Å; L30-L33 PolarHBondContact O-N 2.93Å; L30-M34 WeakPolarHBondContact O-CG 3.45Å; L30-M34 PolarHBondContact O-N 3.09Å
31	F	69.6	Low	61.1	Low	154 Å²	154	114.5 Å²	114.5	68%	0.675	59%	0.589	S	S	*	*	H	α-helix	trans	-65.4	-41.9	174	-87.7	-72.7	0	0	0	112.2	R27 T28 L33 M34 V35	R27-F31 VanDerWaalsContact O-CD2 3.23Å; R27-F31 WeakPolarHBondContact O-CD2 3.4Å; R27-F31 PolarHBondContact O-N 3.42Å; R27-F31 VanDerWaalsContact O-N 3.07Å; T28-F31 PolarHBondContact O-N 2.81Å; F31-L33 VanDerWaalsContact C-N 3.34Å; F31-M34 PolarHBondContact O-N 2.67Å; F31-V35 VanDerWaalsContact O-CG2 3.3Å; F31-V35 WeakPolarHBondContact O-CG2 3.34Å; F31-V35 PolarHBondContact O-N 2.87Å
32	L	69.9	Low	61.1	Low	84 Å²	84	113.5 Å²	113.5	44%	0.44	59%	0.585	S	S	.	*	H	α-helix	trans	-63.4	-40.1	173.9	-78.7	164.6	0	0	0	111.7	M24 T28 G29 V35 L36	M24-L32 HydrophobicContact SD-CD1 4.08Å; T28-L32 WeakPolarHBondContact O-CG 3.49Å; T28-L32 PolarHBondContact O-N 3.21Å; G29-L32 PolarHBondContact O-N 3.21Å; L32-V35 PolarHBondContact O-N 3.08Å; L32-L36 VanDerWaalsContact O-CB 3.26Å; L32-L36 WeakPolarHBondContact O-CB 2.99Å; L32-L36 WeakPolarHBondContact O-CD1 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 2.85Å
33	L	69.4	Low	60.5	Low	103 Å²	103	109 Å²	109	54%	0.539	58%	0.576	S	S	.	*	H	α-helix	trans	-62.5	-41.3	173.2	-108.6	145.1	0	0	0	112.2	G29 L30 F31 L36 N37	G29-L33 WeakPolarHBondContact O-CB 3.32Å; G29-L33 PolarHBondContact O-N 2.86Å; L30-L33 PolarHBondContact O-N 2.93Å; F31-L33 VanDerWaalsContact C-N 3.34Å; L33-L36 PolarHBondContact O-N 3.17Å; L33-N37 WeakPolarHBondContact O-CB 3.33Å; L33-N37 PolarHBondContact O-N 3.14Å; L33-N37 PolarHBondContact O-ND2 3.16Å
34	M	70.9	Confident	59.3	Low	132 Å²	132	108.9 Å²	108.9	65%	0.65	57%	0.566	S	S	*	*	H	α-helix	trans	-67	-40.4	176.4	-76.3	-73.5	-78.9	0	0	112.3	L30 F31 A38	L30-M34 WeakPolarHBondContact O-CG 3.45Å; L30-M34 PolarHBondContact O-N 3.09Å; F31-M34 PolarHBondContact O-N 2.67Å; M34-A38 WeakPolarHBondContact O-CB 3.4Å; M34-A38 PolarHBondContact O-N 3.25Å
35	V	69.2	Low	58.6	Low	96 Å²	96	110.8 Å²	110.8	58%	0.582	57%	0.574	S	S	*	*	H	α-helix	trans	-68.1	-40.2	175.9	173.3	0	0	0	0	111.3	F31 L32 A38 S39	F31-V35 VanDerWaalsContact O-CG2 3.3Å; F31-V35 WeakPolarHBondContact O-CG2 3.34Å; F31-V35 PolarHBondContact O-N 2.87Å; L32-V35 PolarHBondContact O-N 3.08Å; V35-A38 PolarHBondContact O-N 2.85Å; V35-S39 PolarHBondContact O-N 3.25Å; V35-S39 PolarHBondContact O-OG 3.01Å
36	L	66.9	Low	57.4	Low	111 Å²	111	113.1 Å²	113.1	58%	0.581	58%	0.581	S	S	*	*	H	α-helix	trans	-65.3	-43.2	175.3	-75	166.5	0	0	0	111.5	L32 L33 S39 A40	L32-L36 VanDerWaalsContact O-CB 3.26Å; L32-L36 WeakPolarHBondContact O-CB 2.99Å; L32-L36 WeakPolarHBondContact O-CD1 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.47Å; L32-L36 PolarHBondContact O-N 2.85Å; L33-L36 PolarHBondContact O-N 3.17Å; L36-S39 WeakPolarHBondContact CA-OG 3.19Å; L36-S39 PolarHBondContact O-N 3.04Å; L36-S39 PolarHBondContact O-OG 3.49Å; L36-A40 WeakPolarHBondContact O-CB 3.42Å; L36-A40 PolarHBondContact O-N 3.4Å
37	N	60.2	Low	56.2	Low	80 Å²	80	111.8 Å²	111.8	43%	0.428	57%	0.571	S	S	.	*	H	α-helix	trans	-62.9	-43.4	173.5	-78.3	-62.4	0	0	0	111.2	L33 S39 A40 Y41	L33-N37 WeakPolarHBondContact O-CB 3.33Å; L33-N37 PolarHBondContact O-N 3.14Å; L33-N37 PolarHBondContact O-ND2 3.16Å; N37-S39 VanDerWaalsContact C-N 3.33Å; N37-S39 PolarHBondContact O-N 2.95Å; N37-A40 WeakPolarHBondContact O-CB 3.15Å; N37-A40 PolarHBondContact O-N 3.05Å; N37-A40 VanDerWaalsContact O-N 3.13Å; N37-Y41 VanDerWaalsContact O-CD2 3.25Å; N37-Y41 WeakPolarHBondContact O-CD2 3.41Å; N37-Y41 PolarHBondContact O-N 3.01Å
38	A	57.6	Low	54.9	Low	58 Å²	58	106.8 Å²	106.8	48%	0.479	57%	0.568	S	S	.	*	H	α-helix	trans	-61.5	-38.6	175.7	0	0	0	0	0	112.6	M34 V35 Y41 E42	M34-A38 WeakPolarHBondContact O-CB 3.4Å; M34-A38 PolarHBondContact O-N 3.25Å; V35-A38 PolarHBondContact O-N 2.85Å; A38-Y41 PolarHBondContact O-N 3.3Å; A38-E42 PolarHBondContact O-N 3.25Å
39	S	52.6	Low	53.8	Low	63 Å²	63	113.1 Å²	113.1	44%	0.441	59%	0.586	S	S	.	*	H	α-helix	trans	-72.9	-26.6	174.3	67.5	0	0	0	0	113.8	V35 L36 N37 L43	V35-S39 PolarHBondContact O-N 3.25Å; V35-S39 PolarHBondContact O-OG 3.01Å; L36-S39 WeakPolarHBondContact CA-OG 3.19Å; L36-S39 PolarHBondContact O-N 3.04Å; L36-S39 PolarHBondContact O-OG 3.49Å; N37-S39 VanDerWaalsContact C-N 3.33Å; N37-S39 PolarHBondContact O-N 2.95Å; S39-L43 PolarHBondContact O-N 2.04Å; S39-L43 VanDerWaalsContact O-N 3.15Å
40	A	48.1	Very low	52.1	Low	45 Å²	45	115.2 Å²	115.2	37%	0.372	60%	0.596	S	S	.	*	H	α-helix	trans	-72.2	-35.5	171.9	0	0	0	0	0	111.3	L36 N37 L43 E44	L36-A40 WeakPolarHBondContact O-CB 3.42Å; L36-A40 PolarHBondContact O-N 3.4Å; N37-A40 WeakPolarHBondContact O-CB 3.15Å; N37-A40 PolarHBondContact O-N 3.05Å; N37-A40 VanDerWaalsContact O-N 3.13Å; A40-L43 PolarHBondContact O-N 2.73Å; A40-E44 WeakPolarHBondContact O-CB 3.34Å; A40-E44 PolarHBondContact O-N 2.85Å
41	Y	49	Very low	50.6	Low	168 Å²	168	116 Å²	116	66%	0.659	61%	0.608	S	S	*	*	H	α-helix	trans	-66.4	-35.3	172.9	-89	-80.9	0	0	0	112.9	N37 A38 Q45	N37-Y41 VanDerWaalsContact O-CD2 3.25Å; N37-Y41 WeakPolarHBondContact O-CD2 3.41Å; N37-Y41 PolarHBondContact O-N 3.01Å; A38-Y41 PolarHBondContact O-N 3.3Å; Y41-Q45 PolarHBondContact O-N 3.45Å
42	E	45.5	Very low	49.2	Very low	152 Å²	152	118.1 Å²	118.1	71%	0.71	61%	0.612	S	S	*	*	H	α-helix	trans	-72.2	-31.7	174.3	-75.6	-93.1	138.4	0	0	112.5	A38	A38-E42 PolarHBondContact O-N 3.25Å
43	L	41.9	Very low	48.1	Very low	124 Å²	124	126.2 Å²	126.2	65%	0.649	64%	0.636	S	S	*	*	H	α-helix	trans	-79	-35.4	175.7	-161	82.3	0	0	0	112.5	S39 A40 N46 E47	S39-L43 PolarHBondContact O-N 2.04Å; S39-L43 VanDerWaalsContact O-N 3.15Å; A40-L43 PolarHBondContact O-N 2.73Å; L43-N46 PolarHBondContact O-N 3.47Å; L43-E47 PolarHBondContact O-N 3.43Å
44	E	33.5	Very low	46.6	Very low	136 Å²	136	125.7 Å²	125.7	64%	0.636	64%	0.637	S	S	*	*	H	α-helix	trans	-71	-26.8	176.6	-84.5	-159.7	124.8	0	0	113.2	A40 N46 E47 S48	A40-E44 WeakPolarHBondContact O-CB 3.34Å; A40-E44 PolarHBondContact O-N 2.85Å; E44-N46 VanDerWaalsContact C-N 3.29Å; E44-N46 PolarHBondContact O-N 2.94Å; E44-E47 CarbonylContact O-C 3.57Å; E44-E47 PolarHBondContact O-N 3.28Å; E44-S48 PolarHBondContact O-N 3.07Å
45	Q	37.8	Very low	45.2	Very low	156 Å²	156	130.3 Å²	130.3	73%	0.729	65%	0.648	S	S	*	*	H	α-helix	trans	-67.8	-32.2	172.5	-115.4	179.6	42.6	0	0	112.3	Y41 E47 S48	Y41-Q45 PolarHBondContact O-N 3.45Å; Q45-E47 VanDerWaalsContact C-N 3.31Å; Q45-S48 PolarHBondContact O-OG 3.48Å
46	N	38.3	Very low	43.7	Very low	132 Å²	132	135 Å²	135	71%	0.706	66%	0.66	S	S	*	*	H	α-helix	trans	-81.8	-10.7	176	-163.6	66.2	0	0	0	113.2	L43 E44	L43-N46 PolarHBondContact O-N 3.47Å; E44-N46 VanDerWaalsContact C-N 3.29Å; E44-N46 PolarHBondContact O-N 2.94Å
47	E	34.9	Very low	42.8	Very low	133 Å²	133	132.7 Å²	132.7	62%	0.621	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	37.1	178	-71.7	-71.1	136.8	0	0	111.8	L43 E44 Q45 Y49	L43-E47 PolarHBondContact O-N 3.43Å; E44-E47 CarbonylContact O-C 3.57Å; E44-E47 PolarHBondContact O-N 3.28Å; Q45-E47 VanDerWaalsContact C-N 3.31Å; E47-Y49 PolarHBondContact O-N 3.15Å
48	S	33.8	Very low	42.9	Very low	103 Å²	103	133 Å²	133	72%	0.72	66%	0.658	S	S	*	*			trans	-76.8	49.6	161.8	42.7	0	0	0	0	111	E44 Q45 S50	E44-S48 PolarHBondContact O-N 3.07Å; Q45-S48 PolarHBondContact O-OG 3.48Å; S48-S50 VanDerWaalsContact C-N 3.32Å; S48-S50 PolarHBondContact O-N 3.22Å; S48-S50 VanDerWaalsContact O-N 3.13Å
49	Y	41.3	Very low	43.6	Very low	201 Å²	201	132.7 Å²	132.7	79%	0.788	65%	0.649	S	S	*	*			trans	-77	90.2	159.6	-137.7	-87.8	0	0	0	106.8	E47 P51	E47-Y49 PolarHBondContact O-N 3.15Å; Y49-P51 VanDerWaalsContact O-CD 3.27Å; Y49-P51 WeakPolarHBondContact O-CD 3.1Å; Y49-P51 VanDerWaalsContact O-N 3.1Å
50	S	33.9	Very low	44.9	Very low	71 Å²	71	131.5 Å²	131.5	50%	0.497	64%	0.64	S	S	.	*			trans	-46.8	117.5	168.3	175	0	0	0	0	109.8	S48 R52	S48-S50 VanDerWaalsContact C-N 3.32Å; S48-S50 PolarHBondContact O-N 3.22Å; S48-S50 VanDerWaalsContact O-N 3.13Å; S50-R52 PolarHBondContact O-N 2.87Å
51	P	38.2	Very low	46.5	Very low	134 Å²	134	131.3 Å²	131.3	87%	0.87	64%	0.635	S	S	*	*			trans	-81.5	48.2	172.9	35.6	-33	0	0	0	109	Y49	Y49-P51 VanDerWaalsContact O-CD 3.27Å; Y49-P51 WeakPolarHBondContact O-CD 3.1Å; Y49-P51 VanDerWaalsContact O-N 3.1Å
52	R	40.6	Very low	48.1	Very low	198 Å²	198	127 Å²	127	75%	0.747	63%	0.63	S	S	*	*			trans	-81.8	111.5	150.7	-72.8	-175.6	-172.6	161.6	3.9	104.4	S50 V54	S50-R52 PolarHBondContact O-N 2.87Å; R52-V54 HydrophobicContact CB-CG2 3.69Å; R52-V54 WeakPolarHBondContact O-CG2 3.31Å; R52-V54 PolarHBondContact O-N 3.46Å
53	R	46.8	Very low	50.1	Low	254 Å²	254	123.7 Å²	123.7	96%	0.958	62%	0.617	S	S	*	*			trans	-54.5	87.2	144	-100.9	-171.4	-171.5	164.8	3.2	105.7	R55	R53-R55 PolarHBondContact O-N 2.96Å; R53-R55 VanDerWaalsContact O-N 3.13Å
54	V	38	Very low	52.3	Low	93 Å²	93	117.8 Å²	117.8	56%	0.564	59%	0.586	S	S	*	*			trans	-67.8	111.8	174.8	172.1	0	0	0	0	103.6	R52 F56 S57	R52-V54 HydrophobicContact CB-CG2 3.69Å; R52-V54 WeakPolarHBondContact O-CG2 3.31Å; R52-V54 PolarHBondContact O-N 3.46Å; V54-F56 PolarHBondContact O-N 2.84Å; V54-F56 VanDerWaalsContact O-N 3.13Å; V54-S57 WeakPolarHBondContact CG1-OG 3.46Å
55	R	40.4	Very low	54.7	Low	229 Å²	229	111.7 Å²	111.7	86%	0.864	56%	0.559	S	S	*	*			trans	-35.4	124.7	157.4	-69.1	172.4	176.9	155.6	-1.3	106.3	R53 S57	R53-R55 PolarHBondContact O-N 2.96Å; R53-R55 VanDerWaalsContact O-N 3.13Å; R55-S57 WeakPolarHBondContact O-CA 3.32Å; R55-S57 PolarHBondContact O-N 3.34Å; R55-S57 PolarHBondContact O-OG 3.07Å
56	F	39	Very low	57.1	Low	193 Å²	193	113.7 Å²	113.7	85%	0.846	56%	0.56	S	S	*	*			trans	-45.8	85	177.8	-68.9	-86.2	0	0	0	109.5	V54 V58	V54-F56 PolarHBondContact O-N 2.84Å; V54-F56 VanDerWaalsContact O-N 3.13Å; F56-V58 VanDerWaalsContact C-N 3.31Å; F56-V58 PolarHBondContact O-N 2.98Å
57	S	46.8	Very low	59.6	Low	64 Å²	64	109.7 Å²	109.7	45%	0.448	54%	0.541	S	S	.	.			trans	-97.4	90.2	178.7	21.8	0	0	0	0	99.3	V54 R55 N59	V54-S57 WeakPolarHBondContact CG1-OG 3.46Å; R55-S57 WeakPolarHBondContact O-CA 3.32Å; R55-S57 PolarHBondContact O-N 3.34Å; R55-S57 PolarHBondContact O-OG 3.07Å; S57-N59 PolarHBondContact O-N 3.16Å
58	V	62.2	Low	62.2	Low	86 Å²	86	103.4 Å²	103.4	52%	0.521	51%	0.512	S	S	.	.			trans	-49.9	109.9	171.5	-168.5	0	0	0	0	105.6	F56 S60 T86	F56-V58 VanDerWaalsContact C-N 3.31Å; F56-V58 PolarHBondContact O-N 2.98Å; V58-S60 PolarHBondContact O-N 2.98Å; V58-T86 HydrophobicContact CB-CG2 4.2Å; V58-T86 HydrophobicContact CG1-CG2 3.22Å
59	N	73.4	Confident	64.7	Low	51 Å²	51	104.2 Å²	104.2	27%	0.273	51%	0.508	S	S	.	.	B	Isolated β-bridge	trans	-61.6	132.6	-171.2	-77.2	-38.8	0	0	0	107.9	S57 D63 V64 N84	S57-N59 PolarHBondContact O-N 3.16Å; N59-D63 HydrophobicContact CB-CB 4.17Å; N59-V64 HydrophobicContact CB-CG2 3.59Å; N59-N84 WeakPolarHBondContact CB-O 3.27Å; N59-N84 PolarHBondContact N-O 3.49Å
60	S	79.4	Confident	66.8	Low	38 Å²	38	99.2 Å²	99.2	27%	0.266	50%	0.503	S	S	.	.			trans	-61.2	152	175.9	73.6	0	0	0	0	109	V58 S62 D63 V64	V58-S60 PolarHBondContact O-N 2.98Å; S60-S62 PolarHBondContact O-N 3.42Å; S60-S62 PolarHBondContact OG-OG 2.92Å; S60-D63 WeakPolarHBondContact CB-OD2 3.01Å; S60-D63 PolarHBondContact N-OD2 3.41Å; S60-D63 PolarHBondContact O-N 3.42Å; S60-D63 PolarHBondContact OG-N 3.4Å; S60-D63 PolarHBondContact OG-OD2 3.39Å; S60-V64 PolarHBondContact O-N 3.43Å; S60-V64 VanDerWaalsContact O-N 3.08Å
61	P	81.4	Confident	69.5	Low	42 Å²	42	96.8 Å²	96.8	27%	0.273	49%	0.487	S	S	.	.	H	α-helix	trans	-51	-31.4	176.6	-30.8	36.6	0	0	0	114	A65 I133	P61-A65 WeakPolarHBondContact O-CB 3.34Å; P61-A65 PolarHBondContact O-N 3.3Å; P61-A65 VanDerWaalsContact O-N 3.08Å; P61-I133 HydrophobicContact CB-CB 4.41Å; P61-I133 HydrophobicContact CB-CD1 4.3Å; P61-I133 HydrophobicContact CB-CG1 3.98Å; P61-I133 HydrophobicContact CB-CG2 3.72Å
62	S	83.3	Confident	71.5	Confident	77 Å²	77	96.6 Å²	96.6	54%	0.538	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-41.2	172.8	27	0	0	0	0	113.6	S60 A65 R66	S60-S62 PolarHBondContact O-N 3.42Å; S60-S62 PolarHBondContact OG-OG 2.92Å; S62-A65 PolarHBondContact O-N 3.27Å; S62-R66 WeakPolarHBondContact O-CB 3.42Å; S62-R66 PolarHBondContact O-N 3.4Å
63	D	87.4	Confident	73.4	Confident	82 Å²	82	91.5 Å²	91.5	44%	0.439	46%	0.462	S	S	.	.	H	α-helix	trans	-68	-42.2	179.4	-59.4	-40.5	0	0	0	110.6	N59 S60 R66 C67	N59-D63 HydrophobicContact CB-CB 4.17Å; S60-D63 WeakPolarHBondContact CB-OD2 3.01Å; S60-D63 PolarHBondContact N-OD2 3.41Å; S60-D63 PolarHBondContact O-N 3.42Å; S60-D63 PolarHBondContact OG-N 3.4Å; S60-D63 PolarHBondContact OG-OD2 3.39Å; D63-R66 PolarHBondContact O-N 3.41Å; D63-C67 WeakPolarHBondContact O-CB 3.28Å; D63-C67 PolarHBondContact O-N 3.41Å
64	V	87.4	Confident	75	Confident	1 Å²	1	83.6 Å²	83.6	1%	0.006	44%	0.442	C	S	.	.	H	α-helix	trans	-61.3	-46.9	175.2	178.8	0	0	0	0	110.5	N59 S60 R66 C67 L68 L82 I133	N59-V64 HydrophobicContact CB-CG2 3.59Å; S60-V64 PolarHBondContact O-N 3.43Å; S60-V64 VanDerWaalsContact O-N 3.08Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 3.01Å; V64-C67 PolarHBondContact O-N 2.92Å; V64-L68 HydrophobicContact CG1-CD1 4Å; V64-L68 HydrophobicContact CG1-CG 4.38Å; V64-L68 WeakPolarHBondContact O-CB 3.47Å; V64-L68 VanDerWaalsContact O-CG 3.3Å; V64-L68 WeakPolarHBondContact O-CG 3.4Å; V64-L68 PolarHBondContact O-N 3.43Å; V64-L82 HydrophobicContact CG1-CD2 3.86Å; V64-I133 HydrophobicContact CB-CD1 3.52Å; V64-I133 HydrophobicContact CG1-CD1 3.42Å; V64-I133 VanDerWaalsContact CG1-CD1 3.42Å; V64-I133 HydrophobicContact CG2-CD1 4.16Å
65	A	85.2	Confident	77.3	Confident	7 Å²	7	80.5 Å²	80.5	6%	0.058	43%	0.429	C	S	.	.	H	α-helix	trans	-60.9	-40.2	176.9	0	0	0	0	0	112	P61 S62 L68 N69 F130	P61-A65 WeakPolarHBondContact O-CB 3.34Å; P61-A65 PolarHBondContact O-N 3.3Å; P61-A65 VanDerWaalsContact O-N 3.08Å; S62-A65 PolarHBondContact O-N 3.27Å; A65-L68 PolarHBondContact O-N 3.18Å; A65-N69 PolarHBondContact O-N 3.18Å; A65-N69 VanDerWaalsContact O-N 3.11Å; A65-N69 PolarHBondContact O-ND2 3.01Å; A65-F130 HydrophobicContact CB-CD2 4.16Å
66	R	87.9	Confident	79.8	Confident	199 Å²	199	70.4 Å²	70.4	75%	0.751	39%	0.393	S	S	*	.	H	α-helix	trans	-66.1	-44	177.8	-157.5	176	-168.7	162	2.6	111.5	S62 D63 V64 N69 S70	S62-R66 WeakPolarHBondContact O-CB 3.42Å; S62-R66 PolarHBondContact O-N 3.4Å; D63-R66 PolarHBondContact O-N 3.41Å; V64-R66 VanDerWaalsContact C-N 3.3Å; V64-R66 PolarHBondContact O-N 3.01Å; R66-N69 PolarHBondContact O-N 3.04Å; R66-S70 PolarHBondContact O-N 3.49Å; R66-S70 PolarHBondContact O-OG 3.49Å
67	C	90.4	Very high	82.3	Confident	47 Å²	47	62.9 Å²	62.9	32%	0.318	37%	0.371	S	S	.	.	H	α-helix	trans	-57.5	-50.3	174.6	-175	0	0	0	0	111.2	D63 V64 N69 S70 A71 C81	D63-C67 WeakPolarHBondContact O-CB 3.28Å; D63-C67 PolarHBondContact O-N 3.41Å; V64-C67 PolarHBondContact O-N 2.92Å; C67-N69 VanDerWaalsContact C-N 3.32Å; C67-N69 PolarHBondContact O-N 3.24Å; C67-S70 PolarHBondContact O-N 2.88Å; C67-S70 VanDerWaalsContact O-N 3.09Å; C67-S70 PolarHBondContact O-OG 3.46Å; C67-A71 WeakPolarHBondContact O-CB 3.44Å; C67-A71 PolarHBondContact O-N 2.61Å; C67-C81 HydrophobicContact CB-CB 3.68Å; C67-C81 WeakPolarHBondContact CB-SG 3.38Å; C67-C81 VanDerWaalsContact SG-CA 3.57Å; C67-C81 WeakPolarHBondContact SG-CB 3.06Å; C67-C81 CovalentContact SG-SG 2.04Å; C67-C81 PolarHBondContact SG-SG 3.26Å
68	L	88.9	Confident	84.5	Confident	2 Å²	2	60 Å²	60	1%	0.01	35%	0.35	C	S	.	.	H	α-helix	trans	-57.5	-41.1	179.2	-77.4	172.6	0	0	0	112.9	V64 A65 S70 A71 A78 C81 L82 I125 I126 A129	V64-L68 HydrophobicContact CG1-CD1 4Å; V64-L68 HydrophobicContact CG1-CG 4.38Å; V64-L68 WeakPolarHBondContact O-CB 3.47Å; V64-L68 VanDerWaalsContact O-CG 3.3Å; V64-L68 WeakPolarHBondContact O-CG 3.4Å; V64-L68 PolarHBondContact O-N 3.43Å; A65-L68 PolarHBondContact O-N 3.18Å; L68-S70 VanDerWaalsContact C-N 3.33Å; L68-A71 PolarHBondContact O-N 2.64Å; L68-A78 HydrophobicContact CD2-CB 4.32Å; L68-A78 WeakPolarHBondContact CD2-O 3.26Å; L68-C81 HydrophobicContact CD2-CB 4.04Å; L68-C81 HydrophobicContact CG-CB 4.1Å; L68-L82 HydrophobicContact CD1-CD2 4.13Å; L68-L82 HydrophobicContact CD2-CD2 4.32Å; L68-L82 HydrophobicContact CD2-CG 4.35Å; L68-I125 HydrophobicContact CD1-CG2 4.18Å; L68-I125 HydrophobicContact CD2-CG2 4.39Å; L68-I126 HydrophobicContact CB-CG1 4.09Å; L68-I126 HydrophobicContact CD2-CG1 4.37Å; L68-I126 WeakPolarHBondContact O-CD1 3.26Å; L68-A129 HydrophobicContact CD1-CB 3.82Å
69	N	86.1	Confident	85.9	Confident	120 Å²	120	56 Å²	56	64%	0.642	33%	0.326	S	S	*	.	H	α-helix	trans	-70.8	-28.1	178.3	-77.9	-67.7	0	0	0	113.4	A65 R66 C67	A65-N69 PolarHBondContact O-N 3.18Å; A65-N69 VanDerWaalsContact O-N 3.11Å; A65-N69 PolarHBondContact O-ND2 3.01Å; R66-N69 PolarHBondContact O-N 3.04Å; C67-N69 VanDerWaalsContact C-N 3.32Å; C67-N69 PolarHBondContact O-N 3.24Å
70	S	86.9	Confident	86.8	Confident	96 Å²	96	55.4 Å²	55.4	67%	0.671	33%	0.328	S	S	*	.	H	α-helix	trans	-88.7	-15.2	176.9	58.6	0	0	0	0	114	R66 C67 L68	R66-S70 PolarHBondContact O-N 3.49Å; R66-S70 PolarHBondContact O-OG 3.49Å; C67-S70 PolarHBondContact O-N 2.88Å; C67-S70 VanDerWaalsContact O-N 3.09Å; C67-S70 PolarHBondContact O-OG 3.46Å; L68-S70 VanDerWaalsContact C-N 3.33Å
71	A	88.9	Confident	87.3	Confident	20 Å²	20	53.8 Å²	53.8	17%	0.165	32%	0.317	C	S	.	.	S	Bend	trans	-73.2	142.3	-172.4	0	0	0	0	0	111.9	C67 L68 Q73 A78	C67-A71 WeakPolarHBondContact O-CB 3.44Å; C67-A71 PolarHBondContact O-N 2.61Å; L68-A71 PolarHBondContact O-N 2.64Å; A71-Q73 PolarHBondContact O-N 2.98Å; A71-A78 HydrophobicContact CB-CB 4.02Å
72	L	82	Confident	87.7	Confident	129 Å²	129	51.8 Å²	51.8	68%	0.675	30%	0.304	S	S	*	.			trans	-63.6	132.6	168.6	-70.4	169.5	0	0	0	109.6	V74	L72-V74 HydrophobicContact CB-CG2 4.34Å; L72-V74 PolarHBondContact O-N 3.25Å
73	Q	80.5	Confident	87.7	Confident	91 Å²	91	50.3 Å²	50.3	43%	0.425	29%	0.289	S	S	.	.	S	Bend	trans	-77.8	-8	179.4	-62	159.1	21.2	0	0	112.6	A71 N123	A71-Q73 PolarHBondContact O-N 2.98Å; Q73-N123 VanDerWaalsContact CD-OD1 3.25Å; Q73-N123 WeakPolarHBondContact CG-OD1 3.42Å; Q73-N123 PolarHBondContact OE1-OD1 2.95Å
74	V	79.1	Confident	87.1	Confident	89 Å²	89	50.3 Å²	50.3	54%	0.539	29%	0.288	S	S	.	.	S	Bend	trans	-102.9	138.1	174.8	-66.1	0	0	0	0	109.1	L72	L72-V74 HydrophobicContact CB-CG2 4.34Å; L72-V74 PolarHBondContact O-N 3.25Å
75	G	87.2	Confident	86.6	Confident	28 Å²	28	50.8 Å²	50.8	29%	0.289	29%	0.292	S	S	.	.	S	Bend	trans	76.9	-153.1	-173.5	0	0	0	0	0	112.5
76	C	93.3	Very high	86.2	Confident	16 Å²	16	53.6 Å²	53.6	11%	0.108	31%	0.309	C	S	.	.	S	Bend	trans	-106.7	5.3	-169.5	-57.5	0	0	0	0	116.4	A78 F79 A80 H93 C96 L100	C76-A78 PolarHBondContact O-N 3.41Å; C76-F79 HydrophobicContact CB-CD2 4.46Å; C76-F79 PolarHBondContact O-N 2.86Å; C76-A80 PolarHBondContact O-N 3.45Å; C76-H93 VanDerWaalsContact CB-CD2 3.44Å; C76-H93 WeakPolarHBondContact CB-CD2 3.44Å; C76-H93 WeakPolarHBondContact CB-NE2 3.23Å; C76-C96 WeakPolarHBondContact CA-SG 3.39Å; C76-C96 HydrophobicContact CB-CB 3.89Å; C76-C96 WeakPolarHBondContact CB-SG 3.45Å; C76-C96 WeakPolarHBondContact SG-CB 3.33Å; C76-C96 CovalentContact SG-SG 2.03Å; C76-C96 PolarHBondContact SG-SG 3.35Å; C76-L100 WeakPolarHBondContact SG-CD1 3.39Å
77	G	91.3	Very high	85.8	Confident	36 Å²	36	44.2 Å²	44.2	37%	0.371	27%	0.273	S	S	.	.	H	α-helix	trans	-57.9	-42.2	-173.9	0	0	0	0	0	114	F79 A80 C81	G77-F79 VanDerWaalsContact C-N 3.27Å; G77-F79 PolarHBondContact O-N 3.47Å; G77-A80 WeakPolarHBondContact O-CB 3.5Å; G77-A80 PolarHBondContact O-N 2.97Å; G77-C81 PolarHBondContact O-N 2.9Å; G77-C81 PolarHBondContact O-SG 3.25Å
78	A	91.7	Very high	85.5	Confident	2 Å²	2	47.1 Å²	47.1	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-33	177.2	0	0	0	0	0	112.6	L68 A71 C76 C81 A122	L68-A78 HydrophobicContact CD2-CB 4.32Å; L68-A78 WeakPolarHBondContact CD2-O 3.26Å; A71-A78 HydrophobicContact CB-CB 4.02Å; C76-A78 PolarHBondContact O-N 3.41Å; A78-C81 WeakPolarHBondContact O-CB 3.48Å; A78-A122 HydrophobicContact CB-CB 3.89Å
79	F	93	Very high	85.4	Confident	3 Å²	3	47 Å²	47	1%	0.013	29%	0.285	C	S	.	.	H	α-helix	trans	-79.3	-31.1	179	-52.6	-63.9	0	0	0	112.3	C76 G77 C81 L82 L92 H93 C96 L118 I121 A122 I125	C76-F79 HydrophobicContact CB-CD2 4.46Å; C76-F79 PolarHBondContact O-N 2.86Å; G77-F79 VanDerWaalsContact C-N 3.27Å; G77-F79 PolarHBondContact O-N 3.47Å; F79-C81 PolarHBondContact O-N 3.22Å; F79-L82 HydrophobicContact CD1-CD1 4.49Å; F79-L82 WeakPolarHBondContact O-CB 3.3Å; F79-L82 PolarHBondContact O-N 2.04Å; F79-L92 HydrophobicContact CB-CG 4.5Å; F79-L92 HydrophobicContact CD1-CD1 4.26Å; F79-L92 HydrophobicContact CD1-CD2 3.41Å; F79-L92 VanDerWaalsContact CD1-CD2 3.41Å; F79-L92 HydrophobicContact CD1-CG 3.41Å; F79-L92 VanDerWaalsContact CD1-CG 3.41Å; F79-L92 HydrophobicContact CE1-CD1 4.27Å; F79-L92 HydrophobicContact CE1-CD2 3.79Å; F79-L92 HydrophobicContact CE1-CG 3.88Å; F79-L92 HydrophobicContact CG-CG 4.19Å; F79-H93 HydrophobicContact CB-CB 4Å; F79-C96 HydrophobicContact CD2-CB 3.52Å; F79-C96 VanDerWaalsContact CD2-SG 3.52Å; F79-C96 HydrophobicContact CE2-CB 3.99Å; F79-C96 HydrophobicContact CG-CB 4.23Å; F79-L118 HydrophobicContact CE2-CB 4.26Å; F79-L118 HydrophobicContact CE2-CD2 3.88Å; F79-L118 HydrophobicContact CZ-CD2 4.26Å; F79-I121 HydrophobicContact CE1-CB 4.24Å; F79-I121 HydrophobicContact CE1-CG2 3.68Å; F79-I121 HydrophobicContact CZ-CB 4.12Å; F79-I121 HydrophobicContact CZ-CG2 4.07Å; F79-A122 HydrophobicContact CZ-CB 4.15Å; F79-I125 HydrophobicContact CE1-CD1 4.23Å
80	A	91.5	Very high	85	Confident	38 Å²	38	44.7 Å²	44.7	31%	0.314	27%	0.272	S	S	.	.	H	α-helix	trans	-60.1	-30.4	172.1	0	0	0	0	0	112.4	C76 G77 L82 H93	C76-A80 PolarHBondContact O-N 3.45Å; G77-A80 WeakPolarHBondContact O-CB 3.5Å; G77-A80 PolarHBondContact O-N 2.97Å; A80-L82 PolarHBondContact O-N 3.29Å; A80-H93 VanDerWaalsContact CB-CE1 3.49Å; A80-H93 WeakPolarHBondContact CB-CE1 3.44Å
81	C	89.8	Confident	85	Confident	5 Å²	5	40.1 Å²	40.1	3%	0.034	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.9	173	-62	0	0	0	0	113.5	C67 L68 G77 A78 F79	C67-C81 HydrophobicContact CB-CB 3.68Å; C67-C81 WeakPolarHBondContact CB-SG 3.38Å; C67-C81 VanDerWaalsContact SG-CA 3.57Å; C67-C81 WeakPolarHBondContact SG-CB 3.06Å; C67-C81 CovalentContact SG-SG 2.04Å; C67-C81 PolarHBondContact SG-SG 3.26Å; L68-C81 HydrophobicContact CD2-CB 4.04Å; L68-C81 HydrophobicContact CG-CB 4.1Å; G77-C81 PolarHBondContact O-N 2.9Å; G77-C81 PolarHBondContact O-SG 3.25Å; A78-C81 WeakPolarHBondContact O-CB 3.48Å; F79-C81 PolarHBondContact O-N 3.22Å
82	L	89.3	Confident	85.1	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-31.1	-173	-60.1	171.2	0	0	0	112.5	V64 L68 F79 A80 N84 S85 T89 L92 I125 F139	V64-L82 HydrophobicContact CG1-CD2 3.86Å; L68-L82 HydrophobicContact CD1-CD2 4.13Å; L68-L82 HydrophobicContact CD2-CD2 4.32Å; L68-L82 HydrophobicContact CD2-CG 4.35Å; F79-L82 HydrophobicContact CD1-CD1 4.49Å; F79-L82 WeakPolarHBondContact O-CB 3.3Å; F79-L82 PolarHBondContact O-N 2.04Å; A80-L82 PolarHBondContact O-N 3.29Å; L82-N84 PolarHBondContact O-N 3.26Å; L82-S85 WeakPolarHBondContact O-CB 3.37Å; L82-S85 PolarHBondContact O-N 3.4Å; L82-S85 PolarHBondContact O-OG 3Å; L82-S85 VanDerWaalsContact O-OG 3.05Å; L82-T89 PolarHBondContact O-OG1 2.84Å; L82-L92 HydrophobicContact CD1-CD2 3.61Å; L82-I125 HydrophobicContact CD1-CD1 4.05Å; L82-I125 HydrophobicContact CD1-CG2 4.29Å; L82-F139 HydrophobicContact CD2-CE1 3.92Å; L82-F139 HydrophobicContact CD2-CZ 3.64Å
83	E	84.1	Confident	85.5	Confident	46 Å²	46	34.1 Å²	34.1	22%	0.215	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-23.1	-179.8	-78	-176.6	153.3	0	0	115.1	H93 K97	E83-H93 VanDerWaalsContact CD-CB 3.5Å; E83-H93 HydrophobicContact CG-CB 3.47Å; E83-H93 VanDerWaalsContact CG-CB 3.47Å; E83-H93 VanDerWaalsContact OE1-CB 3.25Å; E83-H93 WeakPolarHBondContact OE1-CB 3.34Å; E83-H93 IonicContact OE1-CE1 3.19Å; E83-H93 IonicContact OE1-CG 2.76Å; E83-H93 VanDerWaalsContact OE1-CG 3.23Å; E83-H93 IonicContact OE1-ND1 3.6Å; E83-H93 PolarHBondContact OE1-ND1 3.45Å; E83-H93 IonicContact OE2-CE1 3Å; E83-H93 IonicContact OE2-CG 3.86Å; E83-H93 IonicContact OE2-ND1 2.81Å; E83-H93 PolarHBondContact OE2-ND1 3.25Å; E83-K97 IonicContact OE1-NZ 3.88Å; E83-K97 PolarHBondContact OE1-NZ 3.17Å
84	N	73.9	Confident	86	Confident	81 Å²	81	32.1 Å²	32.1	43%	0.433	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	19.7	179.3	-69	-64.7	0	0	0	112.5	N59 L82	N59-N84 WeakPolarHBondContact CB-O 3.27Å; N59-N84 PolarHBondContact N-O 3.49Å; L82-N84 PolarHBondContact O-N 3.26Å
85	S	78.4	Confident	86.7	Confident	11 Å²	11	28 Å²	28	8%	0.077	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-74.8	159.3	176	77.9	0	0	0	0	111.5	L82 C87 T89	L82-S85 WeakPolarHBondContact O-CB 3.37Å; L82-S85 PolarHBondContact O-N 3.4Å; L82-S85 PolarHBondContact O-OG 3Å; L82-S85 VanDerWaalsContact O-OG 3.05Å; S85-C87 PolarHBondContact O-N 3.49Å; S85-C87 VanDerWaalsContact O-N 3.08Å; S85-C87 PolarHBondContact OG-N 3.42Å; S85-C87 PolarHBondContact OG-O 2.96Å; S85-T89 PolarHBondContact OG-OG1 3.44Å
86	T	75.5	Confident	87.1	Confident	67 Å²	67	26.8 Å²	26.8	41%	0.411	16%	0.16	S	C	.	.	S	Bend	trans	-60.9	-13.5	171.3	52.5	0	0	0	0	114	V58	V58-T86 HydrophobicContact CB-CG2 4.2Å; V58-T86 HydrophobicContact CG1-CG2 3.22Å
87	C	80.1	Confident	87.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.007	17%	0.174	C	C	.	.	S	Bend	trans	-106.5	121.5	-177.4	-59.6	0	0	0	0	108.1	S85 T89 C136 F139	S85-C87 PolarHBondContact O-N 3.49Å; S85-C87 VanDerWaalsContact O-N 3.08Å; S85-C87 PolarHBondContact OG-N 3.42Å; S85-C87 PolarHBondContact OG-O 2.96Å; C87-T89 HydrophobicContact CB-CG2 4.4Å; C87-T89 WeakPolarHBondContact O-CG2 3.2Å; C87-T89 PolarHBondContact O-N 3.4Å; C87-T89 PolarHBondContact O-OG1 2.76Å; C87-T89 VanDerWaalsContact O-OG1 3.12Å; C87-C136 WeakPolarHBondContact CA-SG 3.49Å; C87-C136 HydrophobicContact CB-CB 3.57Å; C87-C136 WeakPolarHBondContact CB-SG 3.31Å; C87-C136 WeakPolarHBondContact SG-CA 3.33Å; C87-C136 WeakPolarHBondContact SG-CB 3.32Å; C87-C136 CovalentContact SG-SG 2.05Å; C87-C136 PolarHBondContact SG-SG 3.43Å; C87-F139 HydrophobicContact CB-CD1 3.93Å
88	D	83.5	Confident	87.2	Confident	109 Å²	109	30.2 Å²	30.2	58%	0.583	17%	0.167	S	C	*	.			trans	-52.1	98.8	177.2	173.1	18	0	0	0	110.3	Q140	D88-Q140 PolarHBondContact O-NE2 3.18Å
89	T	87.1	Confident	87.4	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.166	C	C	.	.			trans	-127.9	17	-175.2	52.5	0	0	0	0	111.8	L82 S85 C87 G91 L92 F139 I143 F181	L82-T89 PolarHBondContact O-OG1 2.84Å; S85-T89 PolarHBondContact OG-OG1 3.44Å; C87-T89 HydrophobicContact CB-CG2 4.4Å; C87-T89 WeakPolarHBondContact O-CG2 3.2Å; C87-T89 PolarHBondContact O-N 3.4Å; C87-T89 PolarHBondContact O-OG1 2.76Å; C87-T89 VanDerWaalsContact O-OG1 3.12Å; T89-G91 PolarHBondContact O-N 2.98Å; T89-L92 PolarHBondContact O-N 3.12Å; T89-L92 VanDerWaalsContact O-N 3.14Å; T89-F139 HydrophobicContact CG2-CD1 4.28Å; T89-F139 HydrophobicContact CG2-CE1 4.14Å; T89-I143 HydrophobicContact CG2-CD1 3.71Å; T89-F181 HydrophobicContact CG2-CE2 4.44Å; T89-F181 HydrophobicContact CG2-CZ 4.03Å
90	D	77.2	Confident	87.4	Confident	70 Å²	70	33.7 Å²	33.7	37%	0.374	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	9.4	-159.9	-62.8	-3.3	0	0	0	114.4
91	G	86.9	Confident	87.5	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-21.6	171.2	0	0	0	0	0	114.8	T89 D94 I95 N179	T89-G91 PolarHBondContact O-N 2.98Å; G91-D94 PolarHBondContact O-N 3.06Å; G91-I95 VanDerWaalsContact O-CG1 3.28Å; G91-I95 WeakPolarHBondContact O-CG1 3.19Å; G91-I95 PolarHBondContact O-N 3.26Å; G91-N179 WeakPolarHBondContact CA-ND2 3.44Å; G91-N179 PolarHBondContact N-ND2 3.43Å
92	L	91	Very high	87.6	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-75.8	-37.3	-163.5	-169.6	63.8	0	0	0	112.8	F79 L82 T89 C96 I121 I125 I143 Q147	F79-L92 HydrophobicContact CB-CG 4.5Å; F79-L92 HydrophobicContact CD1-CD1 4.26Å; F79-L92 HydrophobicContact CD1-CD2 3.41Å; F79-L92 VanDerWaalsContact CD1-CD2 3.41Å; F79-L92 HydrophobicContact CD1-CG 3.41Å; F79-L92 VanDerWaalsContact CD1-CG 3.41Å; F79-L92 HydrophobicContact CE1-CD1 4.27Å; F79-L92 HydrophobicContact CE1-CD2 3.79Å; F79-L92 HydrophobicContact CE1-CG 3.88Å; F79-L92 HydrophobicContact CG-CG 4.19Å; L82-L92 HydrophobicContact CD1-CD2 3.61Å; T89-L92 PolarHBondContact O-N 3.12Å; T89-L92 VanDerWaalsContact O-N 3.14Å; L92-C96 PolarHBondContact O-N 3.06Å; L92-I121 HydrophobicContact CD1-CG2 4.46Å; L92-I125 HydrophobicContact CD2-CD1 3.4Å; L92-I125 VanDerWaalsContact CD2-CD1 3.4Å; L92-I143 HydrophobicContact CD2-CG2 3.87Å; L92-Q147 HydrophobicContact CD1-CG 4.36Å
93	H	92.3	Very high	87.8	Confident	20 Å²	20	42 Å²	42	9%	0.093	21%	0.214	C	C	.	.	H	α-helix	trans	-68.9	-39.1	174.2	-170	-170.3	0	0	0	111.3	C76 F79 A80 E83 I95 C96 K97	C76-H93 VanDerWaalsContact CB-CD2 3.44Å; C76-H93 WeakPolarHBondContact CB-CD2 3.44Å; C76-H93 WeakPolarHBondContact CB-NE2 3.23Å; F79-H93 HydrophobicContact CB-CB 4Å; A80-H93 VanDerWaalsContact CB-CE1 3.49Å; A80-H93 WeakPolarHBondContact CB-CE1 3.44Å; E83-H93 VanDerWaalsContact CD-CB 3.5Å; E83-H93 HydrophobicContact CG-CB 3.47Å; E83-H93 VanDerWaalsContact CG-CB 3.47Å; E83-H93 VanDerWaalsContact OE1-CB 3.25Å; E83-H93 WeakPolarHBondContact OE1-CB 3.34Å; E83-H93 IonicContact OE1-CE1 3.19Å; E83-H93 IonicContact OE1-CG 2.76Å; E83-H93 VanDerWaalsContact OE1-CG 3.23Å; E83-H93 IonicContact OE1-ND1 3.6Å; E83-H93 PolarHBondContact OE1-ND1 3.45Å; E83-H93 IonicContact OE2-CE1 3Å; E83-H93 IonicContact OE2-CG 3.86Å; E83-H93 IonicContact OE2-ND1 2.81Å; E83-H93 PolarHBondContact OE2-ND1 3.25Å; H93-I95 PolarHBondContact O-N 3.08Å; H93-C96 WeakPolarHBondContact O-CB 3.23Å; H93-C96 PolarHBondContact O-N 3.2Å; H93-C96 VanDerWaalsContact O-N 3.16Å; H93-K97 WeakPolarHBondContact CE1-CE 3.36Å; H93-K97 PolarHBondContact CE1-NZ 2.86Å; H93-K97 PolarHBondContact ND1-NZ 3.02Å; H93-K97 WeakPolarHBondContact NE2-CE 3.43Å; H93-K97 WeakPolarHBondContact O-CG 3.05Å; H93-K97 PolarHBondContact O-N 3Å
94	D	91.1	Very high	88.2	Confident	50 Å²	50	43.9 Å²	43.9	27%	0.267	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-43.4	176.6	-73.2	-17.7	0	0	0	112	G91 C96 K97 S98 Y182	G91-D94 PolarHBondContact O-N 3.06Å; D94-C96 VanDerWaalsContact C-N 3.29Å; D94-C96 PolarHBondContact O-N 3.38Å; D94-K97 PolarHBondContact O-N 3.36Å; D94-K97 IonicContact OD1-NZ 2.77Å; D94-S98 WeakPolarHBondContact O-CB 3.05Å; D94-S98 PolarHBondContact O-N 3.37Å; D94-S98 PolarHBondContact O-OG 2.89Å; D94-Y182 VanDerWaalsContact C-OH 3.27Å; D94-Y182 HydrophobicContact CB-CE2 4.05Å; D94-Y182 WeakPolarHBondContact CB-OH 3.41Å
95	I	92.9	Very high	89.2	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-56.7	-45.5	172.8	-69.4	166.2	0	0	0	110.7	G91 H93 S98 F99 F181 Y182 L185	G91-I95 VanDerWaalsContact O-CG1 3.28Å; G91-I95 WeakPolarHBondContact O-CG1 3.19Å; G91-I95 PolarHBondContact O-N 3.26Å; H93-I95 PolarHBondContact O-N 3.08Å; I95-S98 PolarHBondContact O-N 2.93Å; I95-F99 HydrophobicContact CG2-CD2 3.69Å; I95-F99 HydrophobicContact CG2-CE2 3.63Å; I95-F99 WeakPolarHBondContact O-CD2 3.46Å; I95-F99 PolarHBondContact O-N 3Å; I95-F181 HydrophobicContact CD1-CB 3.75Å; I95-Y182 HydrophobicContact CD1-CD2 3.86Å; I95-Y182 HydrophobicContact CD1-CE2 4.12Å; I95-Y182 HydrophobicContact CD1-CG 4.09Å; I95-Y182 HydrophobicContact CG1-CD1 4.03Å; I95-Y182 HydrophobicContact CG1-CD2 3.64Å; I95-Y182 HydrophobicContact CG1-CE1 3.79Å; I95-Y182 HydrophobicContact CG1-CE2 3.4Å; I95-Y182 VanDerWaalsContact CG1-CE2 3.4Å; I95-Y182 HydrophobicContact CG1-CG 3.96Å; I95-Y182 VanDerWaalsContact CG1-CZ 3.47Å; I95-Y182 PolarHBondContact N-OH 3.09Å; I95-L185 HydrophobicContact CG2-CD2 4.46Å
96	C	94.9	Very high	90.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-46.7	178.1	-179.8	0	0	0	0	111.9	C76 F79 L92 H93 D94 S98 F99 L100 L118	C76-C96 WeakPolarHBondContact CA-SG 3.39Å; C76-C96 HydrophobicContact CB-CB 3.89Å; C76-C96 WeakPolarHBondContact CB-SG 3.45Å; C76-C96 WeakPolarHBondContact SG-CB 3.33Å; C76-C96 CovalentContact SG-SG 2.03Å; C76-C96 PolarHBondContact SG-SG 3.35Å; F79-C96 HydrophobicContact CD2-CB 3.52Å; F79-C96 VanDerWaalsContact CD2-SG 3.52Å; F79-C96 HydrophobicContact CE2-CB 3.99Å; F79-C96 HydrophobicContact CG-CB 4.23Å; L92-C96 PolarHBondContact O-N 3.06Å; H93-C96 WeakPolarHBondContact O-CB 3.23Å; H93-C96 PolarHBondContact O-N 3.2Å; H93-C96 VanDerWaalsContact O-N 3.16Å; D94-C96 VanDerWaalsContact C-N 3.29Å; D94-C96 PolarHBondContact O-N 3.38Å; C96-S98 VanDerWaalsContact C-N 3.32Å; C96-S98 PolarHBondContact O-N 2.79Å; C96-F99 PolarHBondContact O-N 3.04Å; C96-L100 WeakPolarHBondContact O-CG 3.43Å; C96-L100 PolarHBondContact O-N 3.02Å; C96-L118 HydrophobicContact CB-CD2 3.9Å
97	K	93.8	Very high	91.1	Very high	92 Å²	92	45.1 Å²	45.1	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-59.8	-43.7	176.2	-72.3	175.1	-172.6	149.6	0	111.1	E83 H93 D94 F99 L100 Y101	E83-K97 IonicContact OE1-NZ 3.88Å; E83-K97 PolarHBondContact OE1-NZ 3.17Å; H93-K97 WeakPolarHBondContact CE1-CE 3.36Å; H93-K97 PolarHBondContact CE1-NZ 2.86Å; H93-K97 PolarHBondContact ND1-NZ 3.02Å; H93-K97 WeakPolarHBondContact NE2-CE 3.43Å; H93-K97 WeakPolarHBondContact O-CG 3.05Å; H93-K97 PolarHBondContact O-N 3Å; D94-K97 PolarHBondContact O-N 3.36Å; D94-K97 IonicContact OD1-NZ 2.77Å; K97-F99 PolarHBondContact O-N 3.45Å; K97-L100 PolarHBondContact O-N 2.98Å; K97-Y101 VanDerWaalsContact O-CB 3.31Å; K97-Y101 WeakPolarHBondContact O-CB 3.2Å; K97-Y101 PolarHBondContact O-N 2.77Å
98	S	93.3	Very high	91.9	Very high	32 Å²	32	51 Å²	51	22%	0.224	27%	0.272	C	S	.	.	H	α-helix	trans	-60.3	-43.8	177.1	-69.1	0	0	0	0	111.9	D94 I95 C96 Y101 S102	D94-S98 WeakPolarHBondContact O-CB 3.05Å; D94-S98 PolarHBondContact O-N 3.37Å; D94-S98 PolarHBondContact O-OG 2.89Å; I95-S98 PolarHBondContact O-N 2.93Å; C96-S98 VanDerWaalsContact C-N 3.32Å; C96-S98 PolarHBondContact O-N 2.79Å; S98-Y101 PolarHBondContact O-N 3.09Å; S98-S102 WeakPolarHBondContact O-CB 3.47Å; S98-S102 PolarHBondContact O-N 3.47Å; S98-S102 PolarHBondContact O-OG 2.82Å; S98-S102 VanDerWaalsContact O-OG 3.14Å
99	F	95.2	Very high	92.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-44.6	174.5	-88.1	-61.8	0	0	0	112.6	I95 C96 K97 S102 A103 F106 F113 V114 L118 Y151 I167 V170 L185	I95-F99 HydrophobicContact CG2-CD2 3.69Å; I95-F99 HydrophobicContact CG2-CE2 3.63Å; I95-F99 WeakPolarHBondContact O-CD2 3.46Å; I95-F99 PolarHBondContact O-N 3Å; C96-F99 PolarHBondContact O-N 3.04Å; K97-F99 PolarHBondContact O-N 3.45Å; F99-S102 PolarHBondContact O-N 2.77Å; F99-A103 PolarHBondContact O-N 3.37Å; F99-F106 HydrophobicContact CD1-CE2 4.42Å; F99-F106 HydrophobicContact CD1-CZ 4.32Å; F99-F106 HydrophobicContact CE1-CZ 4.37Å; F99-F113 HydrophobicContact CE1-CE1 4.08Å; F99-F113 HydrophobicContact CZ-CE1 4.21Å; F99-V114 HydrophobicContact CB-CG1 3.97Å; F99-V114 HydrophobicContact CB-CG2 4.42Å; F99-V114 HydrophobicContact CD1-CG2 3.71Å; F99-V114 HydrophobicContact CE1-CG2 4.41Å; F99-V114 HydrophobicContact CG-CG2 4.42Å; F99-L118 HydrophobicContact CB-CD1 4.43Å; F99-L118 HydrophobicContact CD2-CD2 4.33Å; F99-Y151 HydrophobicContact CE2-CE1 4.32Å; F99-Y151 HydrophobicContact CZ-CE1 4.37Å; F99-I167 HydrophobicContact CE1-CD1 4.23Å; F99-V170 HydrophobicContact CD1-CB 4.3Å; F99-V170 HydrophobicContact CD1-CG1 3.83Å; F99-V170 HydrophobicContact CD1-CG2 3.65Å; F99-V170 HydrophobicContact CD2-CG1 3.77Å; F99-V170 HydrophobicContact CE1-CB 4.28Å; F99-V170 HydrophobicContact CE1-CG1 3.8Å; F99-V170 HydrophobicContact CE1-CG2 4.02Å; F99-V170 HydrophobicContact CE2-CG1 3.73Å; F99-V170 HydrophobicContact CG-CG1 3.83Å; F99-V170 HydrophobicContact CG-CG2 4.14Å; F99-V170 HydrophobicContact CZ-CG1 3.75Å; F99-L185 HydrophobicContact CZ-CD1 4.27Å
100	L	93.9	Very high	93	Very high	79 Å²	79	51.2 Å²	51.2	41%	0.414	27%	0.269	S	S	.	.	H	α-helix	trans	-67.3	-40.2	178.6	-68.3	-173.3	0	0	0	112.5	C76 C96 K97 S102 A103 V114 L118	C76-L100 WeakPolarHBondContact SG-CD1 3.39Å; C96-L100 WeakPolarHBondContact O-CG 3.43Å; C96-L100 PolarHBondContact O-N 3.02Å; K97-L100 PolarHBondContact O-N 2.98Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 2.93Å; L100-A103 WeakPolarHBondContact O-CB 3.49Å; L100-A103 PolarHBondContact O-N 2.93Å; L100-V114 HydrophobicContact CD2-CG1 4.33Å; L100-L118 HydrophobicContact CD2-CD1 4.06Å; L100-L118 HydrophobicContact CG-CD1 4.35Å
101	Y	93.1	Very high	93.9	Very high	190 Å²	190	52.8 Å²	52.8	75%	0.745	27%	0.272	S	S	*	.	H	α-helix	trans	-63.2	-41	176.9	-178.2	-99.4	0	0	0	111.5	K97 S98 A103	K97-Y101 VanDerWaalsContact O-CB 3.31Å; K97-Y101 WeakPolarHBondContact O-CB 3.2Å; K97-Y101 PolarHBondContact O-N 2.77Å; S98-Y101 PolarHBondContact O-N 3.09Å; Y101-A103 VanDerWaalsContact C-N 3.31Å; Y101-A103 PolarHBondContact O-N 3.48Å
102	S	92.8	Very high	94.3	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.014	29%	0.293	C	S	.	.	H	α-helix	trans	-81.1	-7.1	178.2	-60.5	0	0	0	0	113.8	S98 F99 L100 A104 K105 F106 E169	S98-S102 WeakPolarHBondContact O-CB 3.47Å; S98-S102 PolarHBondContact O-N 3.47Å; S98-S102 PolarHBondContact O-OG 2.82Å; S98-S102 VanDerWaalsContact O-OG 3.14Å; F99-S102 PolarHBondContact O-N 2.77Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 2.93Å; S102-A104 PolarHBondContact O-N 2.89Å; S102-K105 WeakPolarHBondContact O-CB 3.47Å; S102-K105 PolarHBondContact O-N 2.92Å; S102-F106 WeakPolarHBondContact O-CD2 3.32Å; S102-E169 WeakPolarHBondContact OG-CB 3.39Å
103	A	92.6	Very high	94.6	Very high	24 Å²	24	55.4 Å²	55.4	20%	0.198	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-54.2	-32.1	-173.8	0	0	0	0	0	113.7	F99 L100 Y101 K105 F106 K111	F99-A103 PolarHBondContact O-N 3.37Å; L100-A103 WeakPolarHBondContact O-CB 3.49Å; L100-A103 PolarHBondContact O-N 2.93Å; Y101-A103 VanDerWaalsContact C-N 3.31Å; Y101-A103 PolarHBondContact O-N 3.48Å; A103-K105 VanDerWaalsContact C-N 3.25Å; A103-K105 PolarHBondContact O-N 3.35Å; A103-F106 PolarHBondContact O-N 2.9Å; A103-K111 WeakPolarHBondContact O-CE 3.42Å; A103-K111 WeakPolarHBondContact O-CG 3.3Å
104	A	93.4	Very high	94.8	Very high	87 Å²	87	54.8 Å²	54.8	72%	0.719	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-67	-25.1	178.2	0	0	0	0	0	113.6	S102	S102-A104 PolarHBondContact O-N 2.89Å
105	K	94.6	Very high	95	Very high	114 Å²	114	58.4 Å²	58.4	50%	0.496	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-87.9	-18	-179.3	-65	177.8	176.9	170.2	0	113.1	S102 A103 A166 E169	S102-K105 WeakPolarHBondContact O-CB 3.47Å; S102-K105 PolarHBondContact O-N 2.92Å; A103-K105 VanDerWaalsContact C-N 3.25Å; A103-K105 PolarHBondContact O-N 3.35Å; K105-A166 HydrophobicContact CB-CB 3.82Å; K105-E169 WeakPolarHBondContact CD-OE2 3.39Å; K105-E169 IonicContact NZ-OE1 2.61Å; K105-E169 PolarHBondContact NZ-OE1 2.92Å; K105-E169 IonicContact NZ-OE2 2.64Å; K105-E169 PolarHBondContact NZ-OE2 3.32Å
106	F	96.4	Very high	95.2	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.022	32%	0.32	C	S	.	.	S	Bend	trans	-72.8	143.2	172.3	-74.2	-83.8	0	0	0	110.6	F99 S102 A103 K111 V114 V159 N163 A166 I167 V170	F99-F106 HydrophobicContact CD1-CE2 4.42Å; F99-F106 HydrophobicContact CD1-CZ 4.32Å; F99-F106 HydrophobicContact CE1-CZ 4.37Å; S102-F106 WeakPolarHBondContact O-CD2 3.32Å; A103-F106 PolarHBondContact O-N 2.9Å; F106-K111 HydrophobicContact CB-CG 4.04Å; F106-K111 WeakPolarHBondContact O-CE 3.45Å; F106-V114 HydrophobicContact CD2-CG2 4.01Å; F106-V114 HydrophobicContact CE2-CG2 3.91Å; F106-V114 HydrophobicContact CG-CG2 4.45Å; F106-V114 HydrophobicContact CZ-CG2 4.26Å; F106-V159 HydrophobicContact CD1-CG1 4.15Å; F106-V159 HydrophobicContact CE1-CG1 3.87Å; F106-N163 WeakPolarHBondContact CA-OD1 3.46Å; F106-N163 HydrophobicContact CD1-CB 3.71Å; F106-N163 HydrophobicContact CE1-CB 4.01Å; F106-A166 HydrophobicContact CD1-CB 3.89Å; F106-A166 HydrophobicContact CD2-CB 3.73Å; F106-A166 HydrophobicContact CE1-CB 3.81Å; F106-A166 HydrophobicContact CE2-CB 3.64Å; F106-A166 HydrophobicContact CG-CB 3.87Å; F106-A166 HydrophobicContact CZ-CB 3.68Å; F106-I167 HydrophobicContact CE1-CD1 3.8Å; F106-I167 HydrophobicContact CE1-CG1 3.87Å; F106-I167 HydrophobicContact CZ-CD1 3.77Å; F106-I167 HydrophobicContact CZ-CG1 4.1Å; F106-V170 HydrophobicContact CE2-CG2 4.33Å; F106-V170 HydrophobicContact CZ-CG2 4.37Å
107	D	97	Very high	95.2	Very high	65 Å²	65	61.7 Å²	61.7	35%	0.348	32%	0.319	S	S	.	.			trans	-65.6	-177.8	164.5	73.2	-9.9	0	0	0	111.9	Q109 G110 K111 N163	D107-Q109 VanDerWaalsContact C-N 3.31Å; D107-Q109 PolarHBondContact O-N 2.83Å; D107-Q109 PolarHBondContact OD1-N 3.32Å; D107-G110 PolarHBondContact O-N 2.76Å; D107-G110 WeakPolarHBondContact OD1-CA 3.34Å; D107-G110 PolarHBondContact OD1-N 2.93Å; D107-K111 WeakPolarHBondContact O-CG 3.3Å; D107-K111 PolarHBondContact O-N 3.43Å; D107-N163 PolarHBondContact N-OD1 3.49Å; D107-N163 PolarHBondContact OD1-ND2 3.38Å; D107-N163 PolarHBondContact OD1-OD1 3.27Å
108	T	97.1	Very high	95.3	Very high	126 Å²	126	57.6 Å²	57.6	77%	0.773	30%	0.302	S	S	*	.	H	α-helix	trans	-60.4	-40.8	-177.8	-53.7	0	0	0	0	112.1	A112	T108-A112 PolarHBondContact O-N 3.49Å
109	Q	96.1	Very high	95.5	Very high	113 Å²	113	59.8 Å²	59.8	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-68.8	-43.7	179	-175.3	179.7	4.5	0	0	111.2	D107 K111 A112 F113	D107-Q109 VanDerWaalsContact C-N 3.31Å; D107-Q109 PolarHBondContact O-N 2.83Å; D107-Q109 PolarHBondContact OD1-N 3.32Å; Q109-K111 PolarHBondContact O-N 3.13Å; Q109-A112 WeakPolarHBondContact O-CB 3.37Å; Q109-A112 PolarHBondContact O-N 3.15Å; Q109-F113 PolarHBondContact O-N 3.4Å
110	G	96.6	Very high	95.6	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-38.8	177.3	0	0	0	0	0	112.6	D107 A112 F113 V114	D107-G110 PolarHBondContact O-N 2.76Å; D107-G110 WeakPolarHBondContact OD1-CA 3.34Å; D107-G110 PolarHBondContact OD1-N 2.93Å; G110-A112 VanDerWaalsContact C-N 3.34Å; G110-A112 PolarHBondContact O-N 3.4Å; G110-F113 WeakPolarHBondContact O-CB 3.46Å; G110-F113 PolarHBondContact O-N 3.2Å; G110-V114 WeakPolarHBondContact O-CG2 3.49Å; G110-V114 PolarHBondContact O-N 3.36Å
111	K	96.5	Very high	95.6	Very high	102 Å²	102	57.5 Å²	57.5	44%	0.443	30%	0.298	S	S	.	.	H	α-helix	trans	-62	-41.4	172.6	-75.1	172.3	179.7	166.4	0	112.2	A103 F106 D107 Q109 V114 K115	A103-K111 WeakPolarHBondContact O-CE 3.42Å; A103-K111 WeakPolarHBondContact O-CG 3.3Å; F106-K111 HydrophobicContact CB-CG 4.04Å; F106-K111 WeakPolarHBondContact O-CE 3.45Å; D107-K111 WeakPolarHBondContact O-CG 3.3Å; D107-K111 PolarHBondContact O-N 3.43Å; Q109-K111 PolarHBondContact O-N 3.13Å; K111-V114 PolarHBondContact O-N 2.87Å; K111-K115 PolarHBondContact O-N 3.41Å; K111-K115 VanDerWaalsContact O-N 3.13Å
112	A	96.5	Very high	95.7	Very high	51 Å²	51	48.6 Å²	48.6	42%	0.421	26%	0.263	S	S	.	.	H	α-helix	trans	-63.9	-42.7	174.1	0	0	0	0	0	111.1	T108 Q109 G110 V114 K115 E116	T108-A112 PolarHBondContact O-N 3.49Å; Q109-A112 WeakPolarHBondContact O-CB 3.37Å; Q109-A112 PolarHBondContact O-N 3.15Å; G110-A112 VanDerWaalsContact C-N 3.34Å; G110-A112 PolarHBondContact O-N 3.4Å; A112-V114 PolarHBondContact O-N 3.32Å; A112-K115 PolarHBondContact O-N 3.16Å; A112-E116 WeakPolarHBondContact O-CB 3.35Å; A112-E116 WeakPolarHBondContact O-CG 3.48Å; A112-E116 PolarHBondContact O-N 3.45Å
113	F	96.8	Very high	95.8	Very high	8 Å²	8	51 Å²	51	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-58.1	-47.5	173.9	172.1	-90.7	0	0	0	112.2	F99 Q109 G110 K115 E116 S117 Y151 L154 I156 V159	F99-F113 HydrophobicContact CE1-CE1 4.08Å; F99-F113 HydrophobicContact CZ-CE1 4.21Å; Q109-F113 PolarHBondContact O-N 3.4Å; G110-F113 WeakPolarHBondContact O-CB 3.46Å; G110-F113 PolarHBondContact O-N 3.2Å; F113-K115 VanDerWaalsContact C-N 3.33Å; F113-K115 PolarHBondContact O-N 3.44Å; F113-E116 PolarHBondContact O-N 3.47Å; F113-S117 WeakPolarHBondContact O-CB 3.18Å; F113-S117 PolarHBondContact O-N 3.46Å; F113-S117 PolarHBondContact O-OG 2.83Å; F113-Y151 AromaticContact CZ-CD1 3.93Å; F113-Y151 HydrophobicContact CZ-CD1 3.93Å; F113-Y151 HydrophobicContact CZ-CE1 4.49Å; F113-L154 HydrophobicContact CD2-CB 3.72Å; F113-L154 HydrophobicContact CE2-CB 3.76Å; F113-I156 HydrophobicContact CE2-CB 4.05Å; F113-I156 HydrophobicContact CZ-CB 3.89Å; F113-I156 HydrophobicContact CZ-CD1 4.21Å; F113-I156 HydrophobicContact CZ-CG1 3.89Å; F113-V159 HydrophobicContact CB-CG1 4.24Å; F113-V159 HydrophobicContact CB-CG2 3.65Å; F113-V159 HydrophobicContact CD1-CB 4.49Å; F113-V159 HydrophobicContact CD1-CG1 3.98Å; F113-V159 HydrophobicContact CD1-CG2 4.37Å; F113-V159 HydrophobicContact CD2-CB 4.46Å; F113-V159 HydrophobicContact CD2-CG2 3.76Å; F113-V159 HydrophobicContact CG-CB 4.25Å; F113-V159 HydrophobicContact CG-CG1 4.09Å; F113-V159 HydrophobicContact CG-CG2 3.67Å
114	V	96	Very high	95.9	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.036	27%	0.273	C	S	.	.	H	α-helix	trans	-56	-49.9	177.9	168.1	0	0	0	0	110.6	F99 L100 F106 G110 K111 A112 S117 L118	F99-V114 HydrophobicContact CB-CG1 3.97Å; F99-V114 HydrophobicContact CB-CG2 4.42Å; F99-V114 HydrophobicContact CD1-CG2 3.71Å; F99-V114 HydrophobicContact CE1-CG2 4.41Å; F99-V114 HydrophobicContact CG-CG2 4.42Å; L100-V114 HydrophobicContact CD2-CG1 4.33Å; F106-V114 HydrophobicContact CD2-CG2 4.01Å; F106-V114 HydrophobicContact CE2-CG2 3.91Å; F106-V114 HydrophobicContact CG-CG2 4.45Å; F106-V114 HydrophobicContact CZ-CG2 4.26Å; G110-V114 WeakPolarHBondContact O-CG2 3.49Å; G110-V114 PolarHBondContact O-N 3.36Å; K111-V114 PolarHBondContact O-N 2.87Å; A112-V114 PolarHBondContact O-N 3.32Å; V114-S117 PolarHBondContact O-OG 3.41Å; V114-L118 HydrophobicContact CG1-CD1 3.97Å; V114-L118 WeakPolarHBondContact O-CB 3.25Å; V114-L118 WeakPolarHBondContact O-CG 3.38Å; V114-L118 PolarHBondContact O-N 3.25Å
115	K	95.8	Very high	95.9	Very high	126 Å²	126	46.4 Å²	46.4	55%	0.548	24%	0.239	S	C	.	.	H	α-helix	trans	-61.4	-51.7	179.4	-179	-174.6	173.2	-172.4	0	112.2	K111 A112 F113 K119	K111-K115 PolarHBondContact O-N 3.41Å; K111-K115 VanDerWaalsContact O-N 3.13Å; A112-K115 PolarHBondContact O-N 3.16Å; F113-K115 VanDerWaalsContact C-N 3.33Å; F113-K115 PolarHBondContact O-N 3.44Å; K115-K119 WeakPolarHBondContact O-CB 3.26Å; K115-K119 PolarHBondContact O-N 3.27Å; K115-K119 VanDerWaalsContact O-N 3.12Å
116	E	96.6	Very high	95.7	Very high	73 Å²	73	42.7 Å²	42.7	34%	0.341	22%	0.224	S	C	.	.	H	α-helix	trans	-73.8	-31.2	-173.5	-65	-54.2	134.2	0	0	112.5	A112 F113 C120 L154	A112-E116 WeakPolarHBondContact O-CB 3.35Å; A112-E116 WeakPolarHBondContact O-CG 3.48Å; A112-E116 PolarHBondContact O-N 3.45Å; F113-E116 PolarHBondContact O-N 3.47Å; E116-C120 WeakPolarHBondContact O-CB 3.44Å; E116-C120 PolarHBondContact O-N 3.3Å; E116-L154 VanDerWaalsContact C-CD1 3.48Å; E116-L154 HydrophobicContact CB-CD1 4.13Å; E116-L154 HydrophobicContact CB-CD2 4.09Å
117	S	96.2	Very high	95.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.3	-46.8	176.5	60.2	0	0	0	0	111.8	F113 V114 K119 C120 I121 L154	F113-S117 WeakPolarHBondContact O-CB 3.18Å; F113-S117 PolarHBondContact O-N 3.46Å; F113-S117 PolarHBondContact O-OG 2.83Å; V114-S117 PolarHBondContact O-OG 3.41Å; S117-K119 VanDerWaalsContact C-N 3.31Å; S117-K119 PolarHBondContact O-N 3.17Å; S117-C120 PolarHBondContact O-N 3.3Å; S117-I121 VanDerWaalsContact O-CG1 3.23Å; S117-I121 WeakPolarHBondContact O-CG1 3.44Å; S117-I121 PolarHBondContact O-N 3.32Å; S117-L154 VanDerWaalsContact N-CD1 3.29Å
118	L	95.9	Very high	95.3	Very high	7 Å²	7	47 Å²	47	4%	0.037	25%	0.25	C	S	.	.	H	α-helix	trans	-60.5	-43	175.3	-66.4	176.6	0	0	0	111.2	F79 C96 F99 L100 V114 I121 A122	F79-L118 HydrophobicContact CE2-CB 4.26Å; F79-L118 HydrophobicContact CE2-CD2 3.88Å; F79-L118 HydrophobicContact CZ-CD2 4.26Å; C96-L118 HydrophobicContact CB-CD2 3.9Å; F99-L118 HydrophobicContact CB-CD1 4.43Å; F99-L118 HydrophobicContact CD2-CD2 4.33Å; L100-L118 HydrophobicContact CD2-CD1 4.06Å; L100-L118 HydrophobicContact CG-CD1 4.35Å; V114-L118 HydrophobicContact CG1-CD1 3.97Å; V114-L118 WeakPolarHBondContact O-CB 3.25Å; V114-L118 WeakPolarHBondContact O-CG 3.38Å; V114-L118 PolarHBondContact O-N 3.25Å; L118-I121 PolarHBondContact O-N 2.92Å; L118-A122 VanDerWaalsContact O-CB 3.31Å; L118-A122 WeakPolarHBondContact O-CB 3.41Å; L118-A122 PolarHBondContact O-N 3.09Å
119	K	95.9	Very high	94.7	Very high	77 Å²	77	41.1 Å²	41.1	34%	0.335	22%	0.215	S	C	.	.	H	α-helix	trans	-62.6	-44.8	175	-177.6	-177.8	175.5	-170.7	0	112.3	K115 S117 N123	K115-K119 WeakPolarHBondContact O-CB 3.26Å; K115-K119 PolarHBondContact O-N 3.27Å; K115-K119 VanDerWaalsContact O-N 3.12Å; S117-K119 VanDerWaalsContact C-N 3.31Å; S117-K119 PolarHBondContact O-N 3.17Å; K119-N123 WeakPolarHBondContact O-CB 3.02Å; K119-N123 VanDerWaalsContact O-CG 3.32Å; K119-N123 PolarHBondContact O-N 3.26Å; K119-N123 PolarHBondContact O-ND2 2.89Å
120	C	96.9	Very high	94	Very high	30 Å²	30	42.3 Å²	42.3	20%	0.203	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-48.9	177.3	178	0	0	0	0	111	E116 S117 N123 G124 C150 L154	E116-C120 WeakPolarHBondContact O-CB 3.44Å; E116-C120 PolarHBondContact O-N 3.3Å; S117-C120 PolarHBondContact O-N 3.3Å; C120-N123 PolarHBondContact O-N 2.95Å; C120-G124 PolarHBondContact O-N 3.19Å; C120-C150 HydrophobicContact CB-CB 3.75Å; C120-C150 WeakPolarHBondContact CB-SG 3.44Å; C120-C150 VanDerWaalsContact SG-CA 3.55Å; C120-C150 WeakPolarHBondContact SG-CB 3.37Å; C120-C150 CovalentContact SG-SG 2.04Å; C120-C150 PolarHBondContact SG-SG 2.88Å; C120-L154 HydrophobicContact CB-CD1 4.28Å
121	I	95.8	Very high	93.3	Very high	2 Å²	2	47 Å²	47	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-65.8	-46.6	-178.1	-62.3	164.6	0	0	0	110.2	F79 L92 S117 L118 N123 G124 I125 V146 Q147 C150 Y151	F79-I121 HydrophobicContact CE1-CB 4.24Å; F79-I121 HydrophobicContact CE1-CG2 3.68Å; F79-I121 HydrophobicContact CZ-CB 4.12Å; F79-I121 HydrophobicContact CZ-CG2 4.07Å; L92-I121 HydrophobicContact CD1-CG2 4.46Å; S117-I121 VanDerWaalsContact O-CG1 3.23Å; S117-I121 WeakPolarHBondContact O-CG1 3.44Å; S117-I121 PolarHBondContact O-N 3.32Å; L118-I121 PolarHBondContact O-N 2.92Å; I121-N123 VanDerWaalsContact C-N 3.34Å; I121-N123 PolarHBondContact O-N 3.47Å; I121-G124 PolarHBondContact O-N 3Å; I121-I125 HydrophobicContact CG2-CD1 3.79Å; I121-I125 HydrophobicContact CG2-CG1 4.37Å; I121-I125 VanDerWaalsContact O-CG1 3.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.4Å; I121-I125 PolarHBondContact O-N 3.46Å; I121-V146 HydrophobicContact CB-CG1 4.34Å; I121-V146 HydrophobicContact CG2-CG1 4.13Å; I121-Q147 HydrophobicContact CD1-CG 4.28Å; I121-Q147 HydrophobicContact CG2-CG 4.3Å; I121-C150 HydrophobicContact CD1-CB 4.49Å; I121-C150 HydrophobicContact CG1-CB 3.69Å; I121-C150 PolarHBondContact N-SG 2.03Å; I121-C150 VanDerWaalsContact N-SG 3.41Å; I121-Y151 HydrophobicContact CD1-CE1 3.9Å
122	A	95.1	Very high	92.7	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-56.4	-48.6	177.8	0	0	0	0	0	111.4	A78 F79 L118 I125 I126	A78-A122 HydrophobicContact CB-CB 3.89Å; F79-A122 HydrophobicContact CZ-CB 4.15Å; L118-A122 VanDerWaalsContact O-CB 3.31Å; L118-A122 WeakPolarHBondContact O-CB 3.41Å; L118-A122 PolarHBondContact O-N 3.09Å; A122-I125 PolarHBondContact O-N 2.99Å; A122-I126 WeakPolarHBondContact O-CB 3.18Å; A122-I126 WeakPolarHBondContact O-CD1 3.05Å; A122-I126 WeakPolarHBondContact O-CG1 3.47Å; A122-I126 PolarHBondContact O-N 3.25Å
123	N	94.7	Very high	92.1	Very high	53 Å²	53	41 Å²	41	28%	0.283	22%	0.215	S	C	.	.	H	α-helix	trans	-66.6	-39.1	178.8	-72.5	-24	0	0	0	112.8	Q73 K119 C120 I121 I125 I126 S127	Q73-N123 VanDerWaalsContact CD-OD1 3.25Å; Q73-N123 WeakPolarHBondContact CG-OD1 3.42Å; Q73-N123 PolarHBondContact OE1-OD1 2.95Å; K119-N123 WeakPolarHBondContact O-CB 3.02Å; K119-N123 VanDerWaalsContact O-CG 3.32Å; K119-N123 PolarHBondContact O-N 3.26Å; K119-N123 PolarHBondContact O-ND2 2.89Å; C120-N123 PolarHBondContact O-N 2.95Å; I121-N123 VanDerWaalsContact C-N 3.34Å; I121-N123 PolarHBondContact O-N 3.47Å; N123-I125 VanDerWaalsContact C-N 3.32Å; N123-I125 PolarHBondContact O-N 3.44Å; N123-I126 PolarHBondContact O-N 2.83Å; N123-S127 WeakPolarHBondContact O-CB 3.41Å; N123-S127 PolarHBondContact O-N 3.3Å; N123-S127 PolarHBondContact O-OG 3.36Å
124	G	94.4	Very high	91.7	Very high	13 Å²	13	50.1 Å²	50.1	13%	0.134	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-41.2	174.9	0	0	0	0	0	112	C120 I121 S127 K128	C120-G124 PolarHBondContact O-N 3.19Å; I121-G124 PolarHBondContact O-N 3Å; G124-S127 PolarHBondContact O-OG 3.09Å; G124-K128 PolarHBondContact O-N 3.36Å
125	I	93.1	Very high	91.4	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-68.4	-52.3	175.4	-66.2	171.9	0	0	0	110.4	L68 F79 L82 L92 I121 A122 N123 S127 K128 A129 F139 M142 I143 V146	L68-I125 HydrophobicContact CD1-CG2 4.18Å; L68-I125 HydrophobicContact CD2-CG2 4.39Å; F79-I125 HydrophobicContact CE1-CD1 4.23Å; L82-I125 HydrophobicContact CD1-CD1 4.05Å; L82-I125 HydrophobicContact CD1-CG2 4.29Å; L92-I125 HydrophobicContact CD2-CD1 3.4Å; L92-I125 VanDerWaalsContact CD2-CD1 3.4Å; I121-I125 HydrophobicContact CG2-CD1 3.79Å; I121-I125 HydrophobicContact CG2-CG1 4.37Å; I121-I125 VanDerWaalsContact O-CG1 3.29Å; I121-I125 WeakPolarHBondContact O-CG1 3.4Å; I121-I125 PolarHBondContact O-N 3.46Å; A122-I125 PolarHBondContact O-N 2.99Å; N123-I125 VanDerWaalsContact C-N 3.32Å; N123-I125 PolarHBondContact O-N 3.44Å; I125-S127 VanDerWaalsContact C-N 3.26Å; I125-S127 PolarHBondContact O-N 3.14Å; I125-K128 CarbonylContact O-C 3.36Å; I125-K128 PolarHBondContact O-N 3.25Å; I125-K128 VanDerWaalsContact O-N 3.09Å; I125-A129 HydrophobicContact CG2-CB 4.28Å; I125-A129 WeakPolarHBondContact O-CA 3.31Å; I125-A129 WeakPolarHBondContact O-CB 3.39Å; I125-A129 PolarHBondContact O-N 2.82Å; I125-F139 HydrophobicContact CG2-CE2 4.48Å; I125-M142 HydrophobicContact CG2-CE 4.41Å; I125-I143 HydrophobicContact CD1-CG1 4.11Å; I125-I143 HydrophobicContact CD1-CG2 4.1Å; I125-I143 HydrophobicContact CG1-CG1 4.11Å; I125-V146 HydrophobicContact CG1-CG1 4.4Å
126	I	91.4	Very high	91.1	Very high	36 Å²	36	54.6 Å²	54.6	19%	0.185	27%	0.268	C	S	.	.	H	α-helix	trans	-53.7	-46	-178.6	-69	161.2	0	0	0	110.8	L68 A122 N123 K128	L68-I126 HydrophobicContact CB-CG1 4.09Å; L68-I126 HydrophobicContact CD2-CG1 4.37Å; L68-I126 WeakPolarHBondContact O-CD1 3.26Å; A122-I126 WeakPolarHBondContact O-CB 3.18Å; A122-I126 WeakPolarHBondContact O-CD1 3.05Å; A122-I126 WeakPolarHBondContact O-CG1 3.47Å; A122-I126 PolarHBondContact O-N 3.25Å; N123-I126 PolarHBondContact O-N 2.83Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 2.74Å
127	S	92.3	Very high	90.8	Very high	84 Å²	84	55 Å²	55	59%	0.587	28%	0.28	S	S	*	.	H	α-helix	trans	-66.8	-27.7	-178.1	62.7	0	0	0	0	114.4	N123 G124 I125	N123-S127 WeakPolarHBondContact O-CB 3.41Å; N123-S127 PolarHBondContact O-N 3.3Å; N123-S127 PolarHBondContact O-OG 3.36Å; G124-S127 PolarHBondContact O-OG 3.09Å; I125-S127 VanDerWaalsContact C-N 3.26Å; I125-S127 PolarHBondContact O-N 3.14Å
128	K	91.1	Very high	90.6	Very high	75 Å²	75	57.2 Å²	57.2	33%	0.326	29%	0.293	S	S	.	.	H	α-helix	trans	-111.6	-8.6	-175	-61.9	175.5	-173.2	174.5	0	113.6	G124 I125 I126 P131 T132 M142 V146 E149	G124-K128 PolarHBondContact O-N 3.36Å; I125-K128 CarbonylContact O-C 3.36Å; I125-K128 PolarHBondContact O-N 3.25Å; I125-K128 VanDerWaalsContact O-N 3.09Å; I126-K128 VanDerWaalsContact C-N 3.31Å; I126-K128 PolarHBondContact O-N 2.74Å; K128-P131 WeakPolarHBondContact O-CD 3.07Å; K128-P131 WeakPolarHBondContact O-CG 3.29Å; K128-T132 WeakPolarHBondContact O-CG2 3.39Å; K128-T132 PolarHBondContact O-OG1 3.01Å; K128-M142 HydrophobicContact CB-CE 4.19Å; K128-M142 HydrophobicContact CB-CG 3.67Å; K128-M142 HydrophobicContact CB-SD 3.64Å; K128-M142 HydrophobicContact CD-CG 3.93Å; K128-M142 HydrophobicContact CD-SD 4.18Å; K128-M142 HydrophobicContact CG-CG 4.44Å; K128-V146 HydrophobicContact CD-CG2 4.13Å; K128-E149 IonicContact NZ-OE2 3.77Å
129	A	85.1	Confident	90.4	Very high	3 Å²	3	56.9 Å²	56.9	3%	0.025	29%	0.291	C	S	.	.	H	α-helix	trans	-67.6	-46.3	-171.3	0	0	0	0	0	112.9	L68 I125 T132 I133 F139	L68-A129 HydrophobicContact CD1-CB 3.82Å; I125-A129 HydrophobicContact CG2-CB 4.28Å; I125-A129 WeakPolarHBondContact O-CA 3.31Å; I125-A129 WeakPolarHBondContact O-CB 3.39Å; I125-A129 PolarHBondContact O-N 2.82Å; A129-T132 PolarHBondContact O-N 2.89Å; A129-T132 PolarHBondContact O-OG1 3.35Å; A129-I133 WeakPolarHBondContact O-CB 3.49Å; A129-I133 VanDerWaalsContact O-CG2 3.3Å; A129-I133 WeakPolarHBondContact O-CG2 3.31Å; A129-I133 PolarHBondContact O-N 3.19Å; A129-F139 HydrophobicContact CB-CE2 3.83Å; A129-F139 HydrophobicContact CB-CZ 4.48Å
130	F	81.1	Confident	90.2	Very high	139 Å²	139	54.6 Å²	54.6	61%	0.61	28%	0.282	S	S	*	.	H	α-helix	trans	-55	-47	-173.7	-170.3	-102.1	0	0	0	114.4	A65	A65-F130 HydrophobicContact CB-CD2 4.16Å
131	P	82.4	Confident	90.1	Very high	97 Å²	97	60 Å²	60	63%	0.63	30%	0.298	S	S	*	.	H	α-helix	trans	-74.2	-24.6	175.8	27.3	-34.4	0	0	0	114.1	K128	K128-P131 WeakPolarHBondContact O-CD 3.07Å; K128-P131 WeakPolarHBondContact O-CG 3.29Å
132	T	83.9	Confident	90	Very high	23 Å²	23	60.2 Å²	60.2	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-98.7	-28.5	-168.3	55.2	0	0	0	0	114.2	K128 A129 R134 R135 T138 F139 M142	K128-T132 WeakPolarHBondContact O-CG2 3.39Å; K128-T132 PolarHBondContact O-OG1 3.01Å; A129-T132 PolarHBondContact O-N 2.89Å; A129-T132 PolarHBondContact O-OG1 3.35Å; T132-R134 PolarHBondContact O-N 2.88Å; T132-R135 PolarHBondContact O-N 3Å; T132-R135 VanDerWaalsContact O-N 3.08Å; T132-T138 HydrophobicContact CG2-CG2 4.09Å; T132-F139 WeakPolarHBondContact OG1-CD2 3.35Å; T132-M142 HydrophobicContact CG2-CB 4.35Å; T132-M142 HydrophobicContact CG2-CG 4.36Å
133	I	84.7	Confident	90	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.021	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.7	-174.2	-166.7	162.4	0	0	0	114.1	P61 V64 A129 R135 F139	P61-I133 HydrophobicContact CB-CB 4.41Å; P61-I133 HydrophobicContact CB-CD1 4.3Å; P61-I133 HydrophobicContact CB-CG1 3.98Å; P61-I133 HydrophobicContact CB-CG2 3.72Å; V64-I133 HydrophobicContact CB-CD1 3.52Å; V64-I133 HydrophobicContact CG1-CD1 3.42Å; V64-I133 VanDerWaalsContact CG1-CD1 3.42Å; V64-I133 HydrophobicContact CG2-CD1 4.16Å; A129-I133 WeakPolarHBondContact O-CB 3.49Å; A129-I133 VanDerWaalsContact O-CG2 3.3Å; A129-I133 WeakPolarHBondContact O-CG2 3.31Å; A129-I133 PolarHBondContact O-N 3.19Å; I133-R135 PolarHBondContact O-N 2.88Å; I133-F139 HydrophobicContact CB-CD2 4.15Å; I133-F139 HydrophobicContact CB-CE2 4.26Å; I133-F139 HydrophobicContact CB-CG 4.35Å; I133-F139 HydrophobicContact CD1-CE1 4.19Å; I133-F139 HydrophobicContact CD1-CZ 4.12Å; I133-F139 HydrophobicContact CG1-CD1 4.22Å; I133-F139 HydrophobicContact CG1-CE1 4.14Å; I133-F139 HydrophobicContact CG1-CG 4.42Å; I133-F139 HydrophobicContact CG1-CZ 4.29Å
134	R	87.4	Confident	90	Very high	200 Å²	200	58.6 Å²	58.6	76%	0.755	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.3	176.6	-64.8	-174.2	179.1	-174.4	-0.3	113.3	T132	T132-R134 PolarHBondContact O-N 2.88Å
135	R	89.9	Confident	90	Very high	182 Å²	182	62.1 Å²	62.1	69%	0.687	30%	0.303	S	S	*	.	S	Bend	trans	-129.9	109.2	178.8	-65.7	-177.1	-175.5	-179.3	1.5	109.1	T132 I133 S137 T138 F139	T132-R135 PolarHBondContact O-N 3Å; T132-R135 VanDerWaalsContact O-N 3.08Å; I133-R135 PolarHBondContact O-N 2.88Å; R135-S137 VanDerWaalsContact C-N 3.3Å; R135-S137 PolarHBondContact O-N 2.94Å; R135-T138 PolarHBondContact O-N 3.28Å; R135-F139 PolarHBondContact O-N 3.47Å
136	C	89.1	Confident	90.2	Very high	44 Å²	44	62 Å²	62	30%	0.297	30%	0.303	S	S	.	.	H	α-helix	trans	-58.8	-38.4	-173.2	-63.8	0	0	0	0	113.9	C87 T138 F139 Q140	C87-C136 WeakPolarHBondContact CA-SG 3.49Å; C87-C136 HydrophobicContact CB-CB 3.57Å; C87-C136 WeakPolarHBondContact CB-SG 3.31Å; C87-C136 WeakPolarHBondContact SG-CA 3.33Å; C87-C136 WeakPolarHBondContact SG-CB 3.32Å; C87-C136 CovalentContact SG-SG 2.05Å; C87-C136 PolarHBondContact SG-SG 3.43Å; C136-T138 VanDerWaalsContact C-N 3.33Å; C136-T138 PolarHBondContact O-N 3.31Å; C136-F139 PolarHBondContact O-N 3.49Å; C136-Q140 VanDerWaalsContact O-CB 3.31Å; C136-Q140 WeakPolarHBondContact O-CB 3.47Å; C136-Q140 WeakPolarHBondContact O-CG 3.36Å; C136-Q140 PolarHBondContact O-N 3.23Å; C136-Q140 PolarHBondContact O-OE1 2.9Å
137	S	90.4	Very high	90.4	Very high	83 Å²	83	60.3 Å²	60.3	58%	0.58	30%	0.295	S	S	*	.	H	α-helix	trans	-61.8	-39.9	176.3	57.4	0	0	0	0	113	R135 R141	R135-S137 VanDerWaalsContact C-N 3.3Å; R135-S137 PolarHBondContact O-N 2.94Å; S137-R141 WeakPolarHBondContact O-CB 3.32Å; S137-R141 PolarHBondContact O-N 2.94Å; S137-R141 VanDerWaalsContact O-N 3.15Å
138	T	92.1	Very high	90.6	Very high	45 Å²	45	60.3 Å²	60.3	28%	0.276	29%	0.285	S	S	.	.	H	α-helix	trans	-71.1	-41.9	176.2	-51.5	0	0	0	0	111.2	T132 R135 C136 R141 M142	T132-T138 HydrophobicContact CG2-CG2 4.09Å; R135-T138 PolarHBondContact O-N 3.28Å; C136-T138 VanDerWaalsContact C-N 3.33Å; C136-T138 PolarHBondContact O-N 3.31Å; T138-R141 PolarHBondContact O-N 3.19Å; T138-M142 WeakPolarHBondContact O-CB 3.35Å; T138-M142 PolarHBondContact O-N 3.26Å
139	F	91.5	Very high	90.9	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.6	-49.3	178.7	-172.2	-129.6	0	0	0	112.1	L82 C87 T89 I125 A129 T132 I133 R135 C136 R141 M142 I143	L82-F139 HydrophobicContact CD2-CE1 3.92Å; L82-F139 HydrophobicContact CD2-CZ 3.64Å; C87-F139 HydrophobicContact CB-CD1 3.93Å; T89-F139 HydrophobicContact CG2-CD1 4.28Å; T89-F139 HydrophobicContact CG2-CE1 4.14Å; I125-F139 HydrophobicContact CG2-CE2 4.48Å; A129-F139 HydrophobicContact CB-CE2 3.83Å; A129-F139 HydrophobicContact CB-CZ 4.48Å; T132-F139 WeakPolarHBondContact OG1-CD2 3.35Å; I133-F139 HydrophobicContact CB-CD2 4.15Å; I133-F139 HydrophobicContact CB-CE2 4.26Å; I133-F139 HydrophobicContact CB-CG 4.35Å; I133-F139 HydrophobicContact CD1-CE1 4.19Å; I133-F139 HydrophobicContact CD1-CZ 4.12Å; I133-F139 HydrophobicContact CG1-CD1 4.22Å; I133-F139 HydrophobicContact CG1-CE1 4.14Å; I133-F139 HydrophobicContact CG1-CG 4.42Å; I133-F139 HydrophobicContact CG1-CZ 4.29Å; R135-F139 PolarHBondContact O-N 3.47Å; C136-F139 PolarHBondContact O-N 3.49Å; F139-R141 VanDerWaalsContact C-N 3.3Å; F139-R141 PolarHBondContact O-N 3.48Å; F139-M142 HydrophobicContact CD2-CE 3.47Å; F139-M142 VanDerWaalsContact CD2-CE 3.47Å; F139-M142 HydrophobicContact CE2-CE 3.42Å; F139-M142 VanDerWaalsContact CE2-CE 3.42Å; F139-M142 WeakPolarHBondContact O-CB 3.46Å; F139-M142 PolarHBondContact O-N 2.86Å; F139-I143 HydrophobicContact CD1-CD1 4.02Å; F139-I143 HydrophobicContact CD2-CD1 4.46Å; F139-I143 HydrophobicContact CE1-CD1 3.76Å; F139-I143 HydrophobicContact CE2-CD1 4.22Å; F139-I143 HydrophobicContact CE2-CG1 4.42Å; F139-I143 HydrophobicContact CG-CD1 4.37Å; F139-I143 HydrophobicContact CZ-CD1 3.87Å; F139-I143 WeakPolarHBondContact O-CG1 3.34Å; F139-I143 PolarHBondContact O-N 2.88Å
140	Q	92.6	Very high	91.5	Very high	30 Å²	30	61.4 Å²	61.4	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-40.8	175.9	-71.3	170.4	-30.6	0	0	111.7	D88 C136 I143 T144 F181	D88-Q140 PolarHBondContact O-NE2 3.18Å; C136-Q140 VanDerWaalsContact O-CB 3.31Å; C136-Q140 WeakPolarHBondContact O-CB 3.47Å; C136-Q140 WeakPolarHBondContact O-CG 3.36Å; C136-Q140 PolarHBondContact O-N 3.23Å; C136-Q140 PolarHBondContact O-OE1 2.9Å; Q140-I143 PolarHBondContact O-N 2.92Å; Q140-T144 PolarHBondContact O-N 3.14Å; Q140-T144 VanDerWaalsContact O-N 3.09Å; Q140-T144 PolarHBondContact O-OG1 2.81Å; Q140-F181 HydrophobicContact CG-CZ 4.36Å
141	R	93.6	Very high	92.3	Very high	144 Å²	144	54.8 Å²	54.8	54%	0.543	26%	0.262	S	S	.	.	H	α-helix	trans	-64.1	-46.3	176.1	-169.3	-178.2	71.5	-170.7	-3.2	111.4	S137 T138 F139 I143 T144 E145	S137-R141 WeakPolarHBondContact O-CB 3.32Å; S137-R141 PolarHBondContact O-N 2.94Å; S137-R141 VanDerWaalsContact O-N 3.15Å; T138-R141 PolarHBondContact O-N 3.19Å; F139-R141 VanDerWaalsContact C-N 3.3Å; F139-R141 PolarHBondContact O-N 3.48Å; R141-I143 VanDerWaalsContact C-N 3.31Å; R141-I143 PolarHBondContact O-N 3.47Å; R141-T144 WeakPolarHBondContact CA-OG1 3.4Å; R141-T144 PolarHBondContact O-N 3Å; R141-T144 PolarHBondContact O-OG1 2.91Å; R141-E145 WeakPolarHBondContact CD-OE1 3.47Å; R141-E145 HydrophobicContact CG-CG 4.45Å; R141-E145 WeakPolarHBondContact CG-OE1 3.29Å; R141-E145 IonicContact NE-OE1 3.23Å; R141-E145 PolarHBondContact NE-OE1 2.89Å; R141-E145 WeakPolarHBondContact O-CG 3.05Å; R141-E145 PolarHBondContact O-N 2.89Å
142	M	94.9	Very high	93	Very high	6 Å²	6	54.6 Å²	54.6	3%	0.03	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-44.3	176.3	177.1	-77.1	-66.8	0	0	111.4	I125 K128 T132 T138 F139 T144 E145 V146	I125-M142 HydrophobicContact CG2-CE 4.41Å; K128-M142 HydrophobicContact CB-CE 4.19Å; K128-M142 HydrophobicContact CB-CG 3.67Å; K128-M142 HydrophobicContact CB-SD 3.64Å; K128-M142 HydrophobicContact CD-CG 3.93Å; K128-M142 HydrophobicContact CD-SD 4.18Å; K128-M142 HydrophobicContact CG-CG 4.44Å; T132-M142 HydrophobicContact CG2-CB 4.35Å; T132-M142 HydrophobicContact CG2-CG 4.36Å; T138-M142 WeakPolarHBondContact O-CB 3.35Å; T138-M142 PolarHBondContact O-N 3.26Å; F139-M142 HydrophobicContact CD2-CE 3.47Å; F139-M142 VanDerWaalsContact CD2-CE 3.47Å; F139-M142 HydrophobicContact CE2-CE 3.42Å; F139-M142 VanDerWaalsContact CE2-CE 3.42Å; F139-M142 WeakPolarHBondContact O-CB 3.46Å; F139-M142 PolarHBondContact O-N 2.86Å; M142-T144 PolarHBondContact O-N 3.39Å; M142-E145 PolarHBondContact O-N 3.46Å; M142-V146 WeakPolarHBondContact O-CG2 3.37Å; M142-V146 PolarHBondContact O-N 3.11Å; M142-V146 HydrophobicContact SD-CG2 3.85Å
143	I	94.5	Very high	93.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-45.2	177.2	-67	167.7	0	0	0	110.8	T89 L92 I125 F139 Q140 R141 E145 V146 Q147 F181	T89-I143 HydrophobicContact CG2-CD1 3.71Å; L92-I143 HydrophobicContact CD2-CG2 3.87Å; I125-I143 HydrophobicContact CD1-CG1 4.11Å; I125-I143 HydrophobicContact CD1-CG2 4.1Å; I125-I143 HydrophobicContact CG1-CG1 4.11Å; F139-I143 HydrophobicContact CD1-CD1 4.02Å; F139-I143 HydrophobicContact CD2-CD1 4.46Å; F139-I143 HydrophobicContact CE1-CD1 3.76Å; F139-I143 HydrophobicContact CE2-CD1 4.22Å; F139-I143 HydrophobicContact CE2-CG1 4.42Å; F139-I143 HydrophobicContact CG-CD1 4.37Å; F139-I143 HydrophobicContact CZ-CD1 3.87Å; F139-I143 WeakPolarHBondContact O-CG1 3.34Å; F139-I143 PolarHBondContact O-N 2.88Å; Q140-I143 PolarHBondContact O-N 2.92Å; R141-I143 VanDerWaalsContact C-N 3.31Å; R141-I143 PolarHBondContact O-N 3.47Å; I143-E145 PolarHBondContact O-N 2.89Å; I143-V146 PolarHBondContact O-N 2.88Å; I143-Q147 WeakPolarHBondContact O-CG 3.42Å; I143-Q147 PolarHBondContact O-N 3.31Å; I143-F181 HydrophobicContact CB-CD1 4.49Å; I143-F181 HydrophobicContact CB-CE1 3.81Å; I143-F181 HydrophobicContact CD1-CE1 4.38Å; I143-F181 HydrophobicContact CG2-CD1 3.61Å; I143-F181 HydrophobicContact CG2-CE1 3.34Å; I143-F181 HydrophobicContact CG2-CZ 4.39Å
144	T	94.6	Very high	94.3	Very high	21 Å²	21	65.4 Å²	65.4	13%	0.129	31%	0.305	C	S	.	.	H	α-helix	trans	-66.1	-36.1	178.6	49	0	0	0	0	113.1	Q140 R141 M142 Q147 E148 R180 F181 K184	Q140-T144 PolarHBondContact O-N 3.14Å; Q140-T144 VanDerWaalsContact O-N 3.09Å; Q140-T144 PolarHBondContact O-OG1 2.81Å; R141-T144 WeakPolarHBondContact CA-OG1 3.4Å; R141-T144 PolarHBondContact O-N 3Å; R141-T144 PolarHBondContact O-OG1 2.91Å; M142-T144 PolarHBondContact O-N 3.39Å; T144-Q147 PolarHBondContact O-N 3.27Å; T144-E148 WeakPolarHBondContact O-CB 3.43Å; T144-E148 PolarHBondContact O-N 3.3Å; T144-R180 HydrophobicContact CG2-CG 3.77Å; T144-F181 HydrophobicContact CG2-CD1 4.11Å; T144-F181 HydrophobicContact CG2-CE1 4.15Å; T144-K184 HydrophobicContact CG2-CB 4.44Å
145	E	95.7	Very high	94.7	Very high	86 Å²	86	56.8 Å²	56.8	40%	0.402	28%	0.279	S	S	.	.	H	α-helix	trans	-63.9	-42.6	173.7	-71.9	166.4	-171.7	0	0	110.6	R141 M142 I143 E148 E149	R141-E145 WeakPolarHBondContact CD-OE1 3.47Å; R141-E145 HydrophobicContact CG-CG 4.45Å; R141-E145 WeakPolarHBondContact CG-OE1 3.29Å; R141-E145 IonicContact NE-OE1 3.23Å; R141-E145 PolarHBondContact NE-OE1 2.89Å; R141-E145 WeakPolarHBondContact O-CG 3.05Å; R141-E145 PolarHBondContact O-N 2.89Å; M142-E145 PolarHBondContact O-N 3.46Å; I143-E145 PolarHBondContact O-N 2.89Å; E145-E148 PolarHBondContact O-N 3.38Å; E145-E149 WeakPolarHBondContact O-CB 3.45Å; E145-E149 PolarHBondContact O-N 3.49Å
146	V	96.8	Very high	95	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-42.8	175.8	167.5	0	0	0	0	111.7	I121 I125 K128 M142 I143 E148 E149 C150	I121-V146 HydrophobicContact CB-CG1 4.34Å; I121-V146 HydrophobicContact CG2-CG1 4.13Å; I125-V146 HydrophobicContact CG1-CG1 4.4Å; K128-V146 HydrophobicContact CD-CG2 4.13Å; M142-V146 WeakPolarHBondContact O-CG2 3.37Å; M142-V146 PolarHBondContact O-N 3.11Å; M142-V146 HydrophobicContact SD-CG2 3.85Å; I143-V146 PolarHBondContact O-N 2.88Å; V146-E148 PolarHBondContact O-N 3.35Å; V146-E149 PolarHBondContact O-N 3.15Å; V146-C150 WeakPolarHBondContact O-CB 3.08Å; V146-C150 PolarHBondContact O-N 2.83Å; V146-C150 PolarHBondContact O-SG 3.35Å
147	Q	96	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-48.5	175.6	-78.1	-172.3	-38.1	0	0	111.5	L92 I121 I143 T144 C150 Y151 F181 K184	L92-Q147 HydrophobicContact CD1-CG 4.36Å; I121-Q147 HydrophobicContact CD1-CG 4.28Å; I121-Q147 HydrophobicContact CG2-CG 4.3Å; I143-Q147 WeakPolarHBondContact O-CG 3.42Å; I143-Q147 PolarHBondContact O-N 3.31Å; T144-Q147 PolarHBondContact O-N 3.27Å; Q147-C150 PolarHBondContact O-N 3.18Å; Q147-Y151 HydrophobicContact CB-CD2 4.46Å; Q147-Y151 HydrophobicContact CB-CE2 4.11Å; Q147-Y151 WeakPolarHBondContact O-CB 3.08Å; Q147-Y151 WeakPolarHBondContact O-CD2 3.35Å; Q147-Y151 VanDerWaalsContact O-CG 3.25Å; Q147-Y151 PolarHBondContact O-N 3.48Å; Q147-F181 PolarHBondContact OE1-O 3.25Å; Q147-K184 HydrophobicContact CB-CG 4.41Å
148	E	96.3	Very high	95.8	Very high	83 Å²	83	48.7 Å²	48.7	39%	0.388	24%	0.242	S	C	.	.	H	α-helix	trans	-58.1	-50.5	177.9	-173.2	164	-151.2	0	0	112.6	T144 E145 V146 C150 Y151 S152 K184	T144-E148 WeakPolarHBondContact O-CB 3.43Å; T144-E148 PolarHBondContact O-N 3.3Å; E145-E148 PolarHBondContact O-N 3.38Å; V146-E148 PolarHBondContact O-N 3.35Å; E148-C150 VanDerWaalsContact C-N 3.33Å; E148-C150 PolarHBondContact O-N 2.92Å; E148-Y151 PolarHBondContact O-N 3.11Å; E148-S152 VanDerWaalsContact O-CB 3.28Å; E148-S152 WeakPolarHBondContact O-CB 3.48Å; E148-S152 PolarHBondContact O-N 3.25Å; E148-K184 IonicContact OE1-NZ 3.8Å; E148-K184 PolarHBondContact OE1-NZ 3.15Å; E148-K184 WeakPolarHBondContact OE2-CE 3.37Å; E148-K184 IonicContact OE2-NZ 3.27Å; E148-K184 PolarHBondContact OE2-NZ 3.46Å
149	E	97.2	Very high	96	Very high	98 Å²	98	46.6 Å²	46.6	46%	0.458	23%	0.229	S	C	.	.	H	α-helix	trans	-57.5	-47.5	179.9	-172.8	-171.9	155	0	0	110.6	K128 E145 V146 R153	K128-E149 IonicContact NZ-OE2 3.77Å; E145-E149 WeakPolarHBondContact O-CB 3.45Å; E145-E149 PolarHBondContact O-N 3.49Å; V146-E149 PolarHBondContact O-N 3.15Å; E149-R153 WeakPolarHBondContact O-CB 3.25Å; E149-R153 PolarHBondContact O-N 3.35Å
150	C	97.9	Very high	96.3	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-68.1	-42.7	-178.5	-68.9	0	0	0	0	112.9	C120 I121 V146 Q147 E148 L154	C120-C150 HydrophobicContact CB-CB 3.75Å; C120-C150 WeakPolarHBondContact CB-SG 3.44Å; C120-C150 VanDerWaalsContact SG-CA 3.55Å; C120-C150 WeakPolarHBondContact SG-CB 3.37Å; C120-C150 CovalentContact SG-SG 2.04Å; C120-C150 PolarHBondContact SG-SG 2.88Å; I121-C150 HydrophobicContact CD1-CB 4.49Å; I121-C150 HydrophobicContact CG1-CB 3.69Å; I121-C150 PolarHBondContact N-SG 2.03Å; I121-C150 VanDerWaalsContact N-SG 3.41Å; V146-C150 WeakPolarHBondContact O-CB 3.08Å; V146-C150 PolarHBondContact O-N 2.83Å; V146-C150 PolarHBondContact O-SG 3.35Å; Q147-C150 PolarHBondContact O-N 3.18Å; E148-C150 VanDerWaalsContact C-N 3.33Å; E148-C150 PolarHBondContact O-N 2.92Å; C150-L154 VanDerWaalsContact O-CB 3.31Å; C150-L154 WeakPolarHBondContact O-CB 3.49Å; C150-L154 WeakPolarHBondContact O-CG 3.25Å; C150-L154 PolarHBondContact O-N 2.95Å; C150-L154 VanDerWaalsContact O-N 3.08Å
151	Y	97.4	Very high	96.5	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-42.6	178.3	-66.9	-31.6	0	0	0	112.5	F99 F113 I121 Q147 E148 G155 I156 L185	F99-Y151 HydrophobicContact CE2-CE1 4.32Å; F99-Y151 HydrophobicContact CZ-CE1 4.37Å; F113-Y151 AromaticContact CZ-CD1 3.93Å; F113-Y151 HydrophobicContact CZ-CD1 3.93Å; F113-Y151 HydrophobicContact CZ-CE1 4.49Å; I121-Y151 HydrophobicContact CD1-CE1 3.9Å; Q147-Y151 HydrophobicContact CB-CD2 4.46Å; Q147-Y151 HydrophobicContact CB-CE2 4.11Å; Q147-Y151 WeakPolarHBondContact O-CB 3.08Å; Q147-Y151 WeakPolarHBondContact O-CD2 3.35Å; Q147-Y151 VanDerWaalsContact O-CG 3.25Å; Q147-Y151 PolarHBondContact O-N 3.48Å; E148-Y151 PolarHBondContact O-N 3.11Å; Y151-G155 PolarHBondContact O-N 2.04Å; Y151-G155 VanDerWaalsContact O-N 3.16Å; Y151-I156 HydrophobicContact CD1-CD1 4.08Å; Y151-I156 HydrophobicContact CD2-CD1 4.26Å; Y151-I156 HydrophobicContact CG-CD1 3.89Å; Y151-I156 PolarHBondContact O-N 3.33Å; Y151-L185 HydrophobicContact CD2-CD1 4.37Å; Y151-L185 HydrophobicContact CE1-CD1 4.41Å; Y151-L185 HydrophobicContact CE2-CB 4.08Å; Y151-L185 HydrophobicContact CE2-CD1 3.79Å
152	S	96.6	Very high	96.6	Very high	93 Å²	93	46 Å²	46	65%	0.65	24%	0.242	S	C	*	.	H	α-helix	trans	-63.2	-52	176.3	179.7	0	0	0	0	110.9	E148 L154 G155	E148-S152 VanDerWaalsContact O-CB 3.28Å; E148-S152 WeakPolarHBondContact O-CB 3.48Å; E148-S152 PolarHBondContact O-N 3.25Å; S152-L154 VanDerWaalsContact C-N 3.27Å; S152-L154 PolarHBondContact O-N 3.39Å; S152-G155 PolarHBondContact O-N 3.5Å; S152-G155 VanDerWaalsContact O-N 3.09Å
153	R	97.6	Very high	96.7	Very high	193 Å²	193	46.3 Å²	46.3	73%	0.728	24%	0.243	S	C	*	.	H	α-helix	trans	-60.6	-34.7	-177.9	-178.7	178	173.6	-179.4	-1	113.4	E149	E149-R153 WeakPolarHBondContact O-CB 3.25Å; E149-R153 PolarHBondContact O-N 3.35Å
154	L	97.5	Very high	96.7	Very high	60 Å²	60	47.4 Å²	47.4	31%	0.314	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	1.6	-178.7	-64	169.2	0	0	0	113.4	F113 E116 S117 C120 C150 S152	F113-L154 HydrophobicContact CD2-CB 3.72Å; F113-L154 HydrophobicContact CE2-CB 3.76Å; E116-L154 VanDerWaalsContact C-CD1 3.48Å; E116-L154 HydrophobicContact CB-CD1 4.13Å; E116-L154 HydrophobicContact CB-CD2 4.09Å; S117-L154 VanDerWaalsContact N-CD1 3.29Å; C120-L154 HydrophobicContact CB-CD1 4.28Å; C150-L154 VanDerWaalsContact O-CB 3.31Å; C150-L154 WeakPolarHBondContact O-CB 3.49Å; C150-L154 WeakPolarHBondContact O-CG 3.25Å; C150-L154 PolarHBondContact O-N 2.95Å; C150-L154 VanDerWaalsContact O-N 3.08Å; S152-L154 VanDerWaalsContact C-N 3.27Å; S152-L154 PolarHBondContact O-N 3.39Å
155	G	96.6	Very high	96.7	Very high	20 Å²	20	51.1 Å²	51.1	21%	0.206	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	54.5	172	0	0	0	0	0	113.7	Y151 S152 C157 N158 V159	Y151-G155 PolarHBondContact O-N 2.04Å; Y151-G155 VanDerWaalsContact O-N 3.16Å; S152-G155 PolarHBondContact O-N 3.5Å; S152-G155 VanDerWaalsContact O-N 3.09Å; G155-C157 PolarHBondContact O-N 2.91Å; G155-N158 PolarHBondContact O-N 3.48Å; G155-N158 VanDerWaalsContact O-N 3.14Å; G155-V159 PolarHBondContact O-N 2.88Å
156	I	96.9	Very high	96.6	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-53.1	-36	178.9	-170.6	164.9	0	0	0	113.4	F113 Y151 V159 A160 L185 L189	F113-I156 HydrophobicContact CE2-CB 4.05Å; F113-I156 HydrophobicContact CZ-CB 3.89Å; F113-I156 HydrophobicContact CZ-CD1 4.21Å; F113-I156 HydrophobicContact CZ-CG1 3.89Å; Y151-I156 HydrophobicContact CD1-CD1 4.08Å; Y151-I156 HydrophobicContact CD2-CD1 4.26Å; Y151-I156 HydrophobicContact CG-CD1 3.89Å; Y151-I156 PolarHBondContact O-N 3.33Å; I156-V159 PolarHBondContact O-N 3.41Å; I156-A160 VanDerWaalsContact O-CB 3.32Å; I156-A160 WeakPolarHBondContact O-CB 3.38Å; I156-A160 PolarHBondContact O-N 3.3Å; I156-L185 HydrophobicContact CD1-CD1 3.6Å; I156-L189 HydrophobicContact CD1-CD2 3.79Å; I156-L189 HydrophobicContact CD1-CG 4.22Å; I156-L189 HydrophobicContact CG1-CD2 3.78Å
157	C	97.6	Very high	96.5	Very high	36 Å²	36	47.1 Å²	47.1	24%	0.243	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-42.3	179.2	-62.2	0	0	0	0	112.8	G155 V159 A160 Q161 C192	G155-C157 PolarHBondContact O-N 2.91Å; C157-V159 VanDerWaalsContact C-N 3.29Å; C157-V159 PolarHBondContact O-N 3.31Å; C157-A160 PolarHBondContact O-N 3.49Å; C157-Q161 WeakPolarHBondContact O-CB 3.36Å; C157-Q161 PolarHBondContact O-N 2.99Å; C157-C192 WeakPolarHBondContact CA-SG 3.37Å; C157-C192 HydrophobicContact CB-CB 3.74Å; C157-C192 WeakPolarHBondContact CB-SG 3.42Å; C157-C192 WeakPolarHBondContact SG-CA 3.39Å; C157-C192 WeakPolarHBondContact SG-CB 3.19Å; C157-C192 CovalentContact SG-SG 2.04Å; C157-C192 PolarHBondContact SG-SG 2.78Å
158	N	97.2	Very high	96.3	Very high	96 Å²	96	47.1 Å²	47.1	51%	0.513	25%	0.252	S	S	.	.	H	α-helix	trans	-62.4	-41.1	176.6	-64.2	-19.9	0	0	0	110.8	G155 A162	G155-N158 PolarHBondContact O-N 3.48Å; G155-N158 VanDerWaalsContact O-N 3.14Å; N158-A162 WeakPolarHBondContact O-CB 3.25Å; N158-A162 PolarHBondContact O-N 3.02Å; N158-A162 VanDerWaalsContact O-N 3.11Å
159	V	97.5	Very high	96	Very high	2 Å²	2	44 Å²	44	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-67.9	-39.6	178.5	175.2	0	0	0	0	111.1	F106 F113 G155 I156 C157 A162 N163	F106-V159 HydrophobicContact CD1-CG1 4.15Å; F106-V159 HydrophobicContact CE1-CG1 3.87Å; F113-V159 HydrophobicContact CB-CG1 4.24Å; F113-V159 HydrophobicContact CB-CG2 3.65Å; F113-V159 HydrophobicContact CD1-CB 4.49Å; F113-V159 HydrophobicContact CD1-CG1 3.98Å; F113-V159 HydrophobicContact CD1-CG2 4.37Å; F113-V159 HydrophobicContact CD2-CB 4.46Å; F113-V159 HydrophobicContact CD2-CG2 3.76Å; F113-V159 HydrophobicContact CG-CB 4.25Å; F113-V159 HydrophobicContact CG-CG1 4.09Å; F113-V159 HydrophobicContact CG-CG2 3.67Å; G155-V159 PolarHBondContact O-N 2.88Å; I156-V159 PolarHBondContact O-N 3.41Å; C157-V159 VanDerWaalsContact C-N 3.29Å; C157-V159 PolarHBondContact O-N 3.31Å; V159-A162 PolarHBondContact O-N 2.76Å; V159-N163 WeakPolarHBondContact O-CB 3.48Å; V159-N163 PolarHBondContact O-N 3.35Å; V159-N163 PolarHBondContact O-ND2 2.76Å
160	A	97	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.6	-33.8	178.7	0	0	0	0	0	113.1	I156 C157 N163 P164 I167 L189 T196 I200	I156-A160 VanDerWaalsContact O-CB 3.32Å; I156-A160 WeakPolarHBondContact O-CB 3.38Å; I156-A160 PolarHBondContact O-N 3.3Å; C157-A160 PolarHBondContact O-N 3.49Å; A160-N163 CarbonylContact O-C 3.52Å; A160-P164 VanDerWaalsContact O-CA 3.27Å; A160-P164 WeakPolarHBondContact O-CA 3.3Å; A160-P164 WeakPolarHBondContact O-CD 3.41Å; A160-P164 VanDerWaalsContact O-N 3.12Å; A160-I167 HydrophobicContact CB-CB 4.4Å; A160-I167 HydrophobicContact CB-CG1 4.01Å; A160-I167 HydrophobicContact CB-CG2 4.15Å; A160-L189 HydrophobicContact CB-CD2 3.84Å; A160-T196 HydrophobicContact CB-CG2 4.06Å; A160-I200 HydrophobicContact CB-CD1 3.74Å; A160-I200 HydrophobicContact CB-CG1 4.28Å
161	Q	96.8	Very high	95.1	Very high	107 Å²	107	39.5 Å²	39.5	50%	0.5	22%	0.217	S	C	.	.	H	α-helix	trans	-63.7	-44.1	171.9	-172.2	-177.4	54.2	0	0	111.5	C157 T196	C157-Q161 WeakPolarHBondContact O-CB 3.36Å; C157-Q161 PolarHBondContact O-N 2.99Å; Q161-T196 HydrophobicContact CB-CG2 4.32Å
162	A	97.1	Very high	94.2	Very high	53 Å²	53	43.2 Å²	43.2	44%	0.438	23%	0.234	S	C	.	.	H	α-helix	trans	-75.6	-30.2	179.8	0	0	0	0	0	113.2	N158 V159 P164	N158-A162 WeakPolarHBondContact O-CB 3.25Å; N158-A162 PolarHBondContact O-N 3.02Å; N158-A162 VanDerWaalsContact O-N 3.11Å; V159-A162 PolarHBondContact O-N 2.76Å; A162-P164 VanDerWaalsContact C-CD 3.48Å
163	N	96.9	Very high	92.8	Very high	13 Å²	13	41.9 Å²	41.9	7%	0.07	22%	0.219	C	C	.	.			trans	-132.1	56.1	-172.6	-55.9	-91.1	0	0	0	112.7	F106 D107 V159 A160 D165 A166 I167	F106-N163 WeakPolarHBondContact CA-OD1 3.46Å; F106-N163 HydrophobicContact CD1-CB 3.71Å; F106-N163 HydrophobicContact CE1-CB 4.01Å; D107-N163 PolarHBondContact N-OD1 3.49Å; D107-N163 PolarHBondContact OD1-ND2 3.38Å; D107-N163 PolarHBondContact OD1-OD1 3.27Å; V159-N163 WeakPolarHBondContact O-CB 3.48Å; V159-N163 PolarHBondContact O-N 3.35Å; V159-N163 PolarHBondContact O-ND2 2.76Å; A160-N163 CarbonylContact O-C 3.52Å; N163-D165 VanDerWaalsContact C-N 3.27Å; N163-D165 PolarHBondContact O-N 3.28Å; N163-A166 HydrophobicContact CB-CB 4.17Å; N163-A166 PolarHBondContact O-N 3.45Å; N163-I167 PolarHBondContact O-N 2.96Å
164	P	94.6	Very high	91.4	Very high	24 Å²	24	33.6 Å²	33.6	16%	0.156	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-34.3	-172.7	24.6	-34.3	0	0	0	112.5	A160 A162 G168 R199	A160-P164 VanDerWaalsContact O-CA 3.27Å; A160-P164 WeakPolarHBondContact O-CA 3.3Å; A160-P164 WeakPolarHBondContact O-CD 3.41Å; A160-P164 VanDerWaalsContact O-N 3.12Å; A162-P164 VanDerWaalsContact C-CD 3.48Å; P164-G168 PolarHBondContact O-N 3.24Å; P164-R199 HydrophobicContact CB-CB 3.92Å
165	D	93.1	Very high	89.8	Confident	99 Å²	99	37 Å²	37	53%	0.529	22%	0.219	S	C	.	.	H	α-helix	trans	-73.1	-38.2	179.7	-69.2	-38.3	0	0	0	114.2	N163 E169 S203	N163-D165 VanDerWaalsContact C-N 3.27Å; N163-D165 PolarHBondContact O-N 3.28Å; D165-E169 PolarHBondContact O-N 2.77Å; D165-E169 VanDerWaalsContact O-N 3.17Å; D165-S203 WeakPolarHBondContact CA-OG 3.35Å; D165-S203 WeakPolarHBondContact OD1-CB 3.19Å; D165-S203 PolarHBondContact OD1-OG 3.24Å
166	A	94.6	Very high	88.2	Confident	2 Å²	2	40.2 Å²	40.2	2%	0.017	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-41.6	176.3	0	0	0	0	0	110.5	K105 F106 N163 E169 V170	K105-A166 HydrophobicContact CB-CB 3.82Å; F106-A166 HydrophobicContact CD1-CB 3.89Å; F106-A166 HydrophobicContact CD2-CB 3.73Å; F106-A166 HydrophobicContact CE1-CB 3.81Å; F106-A166 HydrophobicContact CE2-CB 3.64Å; F106-A166 HydrophobicContact CG-CB 3.87Å; F106-A166 HydrophobicContact CZ-CB 3.68Å; N163-A166 HydrophobicContact CB-CB 4.17Å; N163-A166 PolarHBondContact O-N 3.45Å; A166-E169 WeakPolarHBondContact O-CB 3.3Å; A166-E169 PolarHBondContact O-N 3.5Å; A166-V170 WeakPolarHBondContact O-CG2 3.34Å; A166-V170 PolarHBondContact O-N 3.16Å
167	I	94.5	Very high	86.5	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-42	174.5	-73.5	-67.1	0	0	0	111.6	F99 F106 A160 N163 E169 V170 A171 L189 I200	F99-I167 HydrophobicContact CE1-CD1 4.23Å; F106-I167 HydrophobicContact CE1-CD1 3.8Å; F106-I167 HydrophobicContact CE1-CG1 3.87Å; F106-I167 HydrophobicContact CZ-CD1 3.77Å; F106-I167 HydrophobicContact CZ-CG1 4.1Å; A160-I167 HydrophobicContact CB-CB 4.4Å; A160-I167 HydrophobicContact CB-CG1 4.01Å; A160-I167 HydrophobicContact CB-CG2 4.15Å; N163-I167 PolarHBondContact O-N 2.96Å; I167-E169 PolarHBondContact O-N 2.87Å; I167-V170 PolarHBondContact O-N 3.14Å; I167-A171 WeakPolarHBondContact O-CB 3.47Å; I167-A171 PolarHBondContact O-N 3.41Å; I167-L189 HydrophobicContact CG2-CD1 3.63Å; I167-L189 HydrophobicContact CG2-CD2 3.61Å; I167-L189 HydrophobicContact CG2-CG 4.29Å; I167-I200 HydrophobicContact CG2-CG1 4.3Å; I167-I200 HydrophobicContact CG2-CG2 4.39Å
168	G	91.6	Very high	85.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.5	-29.7	174.7	0	0	0	0	0	112.8	P164	P164-G168 PolarHBondContact O-N 3.24Å
169	E	89.9	Confident	84.6	Confident	17 Å²	17	46.3 Å²	46.3	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-73.2	-37.3	173.1	-78.4	-175.6	-163.2	0	0	114.3	S102 K105 D165 A166 I167 Q172 R207	S102-E169 WeakPolarHBondContact OG-CB 3.39Å; K105-E169 WeakPolarHBondContact CD-OE2 3.39Å; K105-E169 IonicContact NZ-OE1 2.61Å; K105-E169 PolarHBondContact NZ-OE1 2.92Å; K105-E169 IonicContact NZ-OE2 2.64Å; K105-E169 PolarHBondContact NZ-OE2 3.32Å; D165-E169 PolarHBondContact O-N 2.77Å; D165-E169 VanDerWaalsContact O-N 3.17Å; A166-E169 WeakPolarHBondContact O-CB 3.3Å; A166-E169 PolarHBondContact O-N 3.5Å; I167-E169 PolarHBondContact O-N 2.87Å; E169-Q172 WeakPolarHBondContact O-CG 3.28Å; E169-Q172 PolarHBondContact O-NE2 3.03Å; E169-R207 IonicContact OE1-CZ 2.79Å; E169-R207 IonicContact OE1-NH1 2.88Å; E169-R207 PolarHBondContact OE1-NH1 3.28Å; E169-R207 IonicContact OE1-NH2 3.32Å; E169-R207 PolarHBondContact OE1-NH2 3.39Å
170	V	91.5	Very high	84.1	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-72.3	-38.5	177.4	-178.2	0	0	0	0	110.7	F99 F106 A166 I167 Q172 L185	F99-V170 HydrophobicContact CD1-CB 4.3Å; F99-V170 HydrophobicContact CD1-CG1 3.83Å; F99-V170 HydrophobicContact CD1-CG2 3.65Å; F99-V170 HydrophobicContact CD2-CG1 3.77Å; F99-V170 HydrophobicContact CE1-CB 4.28Å; F99-V170 HydrophobicContact CE1-CG1 3.8Å; F99-V170 HydrophobicContact CE1-CG2 4.02Å; F99-V170 HydrophobicContact CE2-CG1 3.73Å; F99-V170 HydrophobicContact CG-CG1 3.83Å; F99-V170 HydrophobicContact CG-CG2 4.14Å; F99-V170 HydrophobicContact CZ-CG1 3.75Å; F106-V170 HydrophobicContact CE2-CG2 4.33Å; F106-V170 HydrophobicContact CZ-CG2 4.37Å; A166-V170 WeakPolarHBondContact O-CG2 3.34Å; A166-V170 PolarHBondContact O-N 3.16Å; I167-V170 PolarHBondContact O-N 3.14Å; V170-Q172 PolarHBondContact O-N 2.99Å; V170-L185 HydrophobicContact CG1-CD2 3.88Å
171	A	85.1	Confident	83.8	Confident	6 Å²	6	52.8 Å²	52.8	5%	0.05	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	6.3	-179.6	0	0	0	0	0	114	I167 L173 L189 M204	I167-A171 WeakPolarHBondContact O-CB 3.47Å; I167-A171 PolarHBondContact O-N 3.41Å; A171-L173 PolarHBondContact O-N 3.32Å; A171-L189 HydrophobicContact CB-CD1 3.93Å; A171-M204 HydrophobicContact CB-CE 3.84Å; A171-M204 HydrophobicContact CB-CG 4.33Å; A171-M204 HydrophobicContact CB-SD 3.7Å; A171-M204 WeakPolarHBondContact O-CE 3.45Å
172	Q	78.4	Confident	83.5	Confident	78 Å²	78	48.8 Å²	48.8	36%	0.364	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-55.3	127.4	174.5	-75.1	178.4	77.6	0	0	110.1	E169 V170 R207	E169-Q172 WeakPolarHBondContact O-CG 3.28Å; E169-Q172 PolarHBondContact O-NE2 3.03Å; V170-Q172 PolarHBondContact O-N 2.99Å; Q172-R207 HydrophobicContact CG-CB 3.83Å; Q172-R207 HydrophobicContact CG-CG 4.33Å
173	L	67.1	Low	83.1	Confident	65 Å²	65	48 Å²	48	34%	0.34	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-59.1	131.4	-179.8	-93.5	70.7	0	0	0	109.4	A171 F177 M204 L208	A171-L173 PolarHBondContact O-N 3.32Å; L173-F177 HydrophobicContact CD2-CD2 3.93Å; L173-F177 HydrophobicContact CD2-CE2 4.23Å; L173-F177 HydrophobicContact CD2-CG 4.44Å; L173-F177 HydrophobicContact CG-CD2 4.26Å; L173-M204 HydrophobicContact CD1-CE 4.02Å; L173-L208 HydrophobicContact CB-CD2 4.41Å; L173-L208 HydrophobicContact CD1-CD2 3.93Å; L173-L208 HydrophobicContact CD2-CD2 4.43Å; L173-L208 HydrophobicContact CG-CD2 4.48Å
174	P	68.9	Low	83	Confident	20 Å²	20	49.1 Å²	49.1	13%	0.13	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-56.3	152.3	172.6	-24.9	34.5	0	0	0	111.4	H176 N179 Y182	P174-H176 PolarHBondContact O-N 3.18Å; P174-N179 HydrophobicContact CG-CB 4.08Å; P174-Y182 HydrophobicContact CG-CD1 3.88Å; P174-Y182 HydrophobicContact CG-CD2 3.29Å; P174-Y182 HydrophobicContact CG-CE1 4.07Å; P174-Y182 HydrophobicContact CG-CE2 3.48Å; P174-Y182 VanDerWaalsContact CG-CE2 3.48Å; P174-Y182 HydrophobicContact CG-CG 3.49Å; P174-Y182 VanDerWaalsContact CG-CG 3.49Å
175	S	62.7	Low	82.9	Confident	131 Å²	131	48.1 Å²	48.1	92%	0.916	26%	0.258	S	S	*	.	S	Bend	trans	-59.5	-25	172.8	54.1	0	0	0	0	112.9
176	H	62.3	Low	82.9	Confident	88 Å²	88	46 Å²	46	41%	0.407	25%	0.246	S	C	.	.	S	Bend	trans	-108.8	89.3	173.4	57.9	-80.8	0	0	0	109.4	P174	P174-H176 PolarHBondContact O-N 3.18Å
177	F	61.7	Low	82.9	Confident	143 Å²	143	49.3 Å²	49.3	63%	0.627	26%	0.261	S	S	*	.			trans	-94.2	138	169.5	-171.1	-92.4	0	0	0	109	L173	L173-F177 HydrophobicContact CD2-CD2 3.93Å; L173-F177 HydrophobicContact CD2-CE2 4.23Å; L173-F177 HydrophobicContact CD2-CG 4.44Å; L173-F177 HydrophobicContact CG-CD2 4.26Å
178	P	70.4	Confident	82.9	Confident	111 Å²	111	49.8 Å²	49.8	72%	0.721	26%	0.264	S	S	*	.			cis	-91	140.6	9.6	33.6	-33.3	0	0	0	115
179	N	85.3	Confident	83	Confident	12 Å²	12	49.8 Å²	49.8	6%	0.064	27%	0.265	C	S	.	.			trans	-120.1	121.1	171.4	-173.2	-63.3	0	0	0	110.7	G91 P174 F181 Y182 G183	G91-N179 WeakPolarHBondContact CA-ND2 3.44Å; G91-N179 PolarHBondContact N-ND2 3.43Å; P174-N179 HydrophobicContact CG-CB 4.08Å; N179-F181 PolarHBondContact O-N 2.94Å; N179-F181 PolarHBondContact OD1-N 3.39Å; N179-Y182 HydrophobicContact CB-CD2 4.17Å; N179-Y182 PolarHBondContact OD1-N 3.37Å; N179-G183 PolarHBondContact O-N 3.18Å
180	R	87.1	Confident	83.2	Confident	133 Å²	133	52.3 Å²	52.3	50%	0.502	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-40.9	-174.4	177.2	-177.6	-76.7	-150.6	1.1	113.1	T144 G183 K184	T144-R180 HydrophobicContact CG2-CG 3.77Å; R180-G183 PolarHBondContact O-N 2.67Å; R180-K184 PolarHBondContact O-N 3.24Å
181	F	90.3	Very high	83.4	Confident	4 Å²	4	57 Å²	57	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-75.1	-38.5	-173.4	-54	-71.9	0	0	0	111.2	T89 I95 Q140 I143 T144 Q147 N179 G183 K184 L185	T89-F181 HydrophobicContact CG2-CE2 4.44Å; T89-F181 HydrophobicContact CG2-CZ 4.03Å; I95-F181 HydrophobicContact CD1-CB 3.75Å; Q140-F181 HydrophobicContact CG-CZ 4.36Å; I143-F181 HydrophobicContact CB-CD1 4.49Å; I143-F181 HydrophobicContact CB-CE1 3.81Å; I143-F181 HydrophobicContact CD1-CE1 4.38Å; I143-F181 HydrophobicContact CG2-CD1 3.61Å; I143-F181 HydrophobicContact CG2-CE1 3.34Å; I143-F181 HydrophobicContact CG2-CZ 4.39Å; T144-F181 HydrophobicContact CG2-CD1 4.11Å; T144-F181 HydrophobicContact CG2-CE1 4.15Å; Q147-F181 PolarHBondContact OE1-O 3.25Å; N179-F181 PolarHBondContact O-N 2.94Å; N179-F181 PolarHBondContact OD1-N 3.39Å; F181-G183 VanDerWaalsContact C-N 3.31Å; F181-K184 PolarHBondContact O-N 3.44Å; F181-L185 PolarHBondContact O-N 3.21Å; F181-L185 VanDerWaalsContact O-N 3.15Å
182	Y	90.1	Very high	83.9	Confident	24 Å²	24	57.4 Å²	57.4	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-40.1	169.4	-86.5	-90.5	0	0	0	111.1	D94 I95 P174 N179 K184 L185 L186	D94-Y182 VanDerWaalsContact C-OH 3.27Å; D94-Y182 HydrophobicContact CB-CE2 4.05Å; D94-Y182 WeakPolarHBondContact CB-OH 3.41Å; I95-Y182 HydrophobicContact CD1-CD2 3.86Å; I95-Y182 HydrophobicContact CD1-CE2 4.12Å; I95-Y182 HydrophobicContact CD1-CG 4.09Å; I95-Y182 HydrophobicContact CG1-CD1 4.03Å; I95-Y182 HydrophobicContact CG1-CD2 3.64Å; I95-Y182 HydrophobicContact CG1-CE1 3.79Å; I95-Y182 HydrophobicContact CG1-CE2 3.4Å; I95-Y182 VanDerWaalsContact CG1-CE2 3.4Å; I95-Y182 HydrophobicContact CG1-CG 3.96Å; I95-Y182 VanDerWaalsContact CG1-CZ 3.47Å; I95-Y182 PolarHBondContact N-OH 3.09Å; P174-Y182 HydrophobicContact CG-CD1 3.88Å; P174-Y182 HydrophobicContact CG-CD2 3.29Å; P174-Y182 HydrophobicContact CG-CE1 4.07Å; P174-Y182 HydrophobicContact CG-CE2 3.48Å; P174-Y182 VanDerWaalsContact CG-CE2 3.48Å; P174-Y182 HydrophobicContact CG-CG 3.49Å; P174-Y182 VanDerWaalsContact CG-CG 3.49Å; N179-Y182 HydrophobicContact CB-CD2 4.17Å; N179-Y182 PolarHBondContact OD1-N 3.37Å; Y182-K184 PolarHBondContact O-N 3.15Å; Y182-L185 PolarHBondContact O-N 3.38Å; Y182-L186 WeakPolarHBondContact O-CB 3.48Å; Y182-L186 PolarHBondContact O-N 3.28Å
183	G	90.1	Very high	84.8	Confident	35 Å²	35	57 Å²	57	36%	0.361	31%	0.305	S	S	.	.	H	α-helix	trans	-56.2	-39.2	173.4	0	0	0	0	0	112.5	N179 R180 F181 L186 Q187	N179-G183 PolarHBondContact O-N 3.18Å; R180-G183 PolarHBondContact O-N 2.67Å; F181-G183 VanDerWaalsContact C-N 3.31Å; G183-L186 PolarHBondContact O-N 3.24Å; G183-Q187 WeakPolarHBondContact O-CB 3.38Å; G183-Q187 PolarHBondContact O-N 3.5Å
184	K	93.2	Very high	86.2	Confident	38 Å²	38	60 Å²	60	17%	0.165	32%	0.317	C	S	.	.	H	α-helix	trans	-71.2	-40.9	178.2	-167.8	53.8	175.1	175	0	113.1	T144 Q147 E148 R180 F181 Y182 L186 Q187 S188	T144-K184 HydrophobicContact CG2-CB 4.44Å; Q147-K184 HydrophobicContact CB-CG 4.41Å; E148-K184 IonicContact OE1-NZ 3.8Å; E148-K184 PolarHBondContact OE1-NZ 3.15Å; E148-K184 WeakPolarHBondContact OE2-CE 3.37Å; E148-K184 IonicContact OE2-NZ 3.27Å; E148-K184 PolarHBondContact OE2-NZ 3.46Å; R180-K184 PolarHBondContact O-N 3.24Å; F181-K184 PolarHBondContact O-N 3.44Å; Y182-K184 PolarHBondContact O-N 3.15Å; K184-L186 VanDerWaalsContact C-N 3.35Å; K184-Q187 PolarHBondContact O-N 3.06Å; K184-S188 PolarHBondContact O-N 3Å; K184-S188 PolarHBondContact O-OG 2.75Å
185	L	93.8	Very high	87.5	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.016	34%	0.34	C	S	.	.	H	α-helix	trans	-57.4	-49.4	171.1	172.2	63.6	0	0	0	110.9	I95 F99 Y151 I156 V170 F181 Y182 Q187 S188 L189	I95-L185 HydrophobicContact CG2-CD2 4.46Å; F99-L185 HydrophobicContact CZ-CD1 4.27Å; Y151-L185 HydrophobicContact CD2-CD1 4.37Å; Y151-L185 HydrophobicContact CE1-CD1 4.41Å; Y151-L185 HydrophobicContact CE2-CB 4.08Å; Y151-L185 HydrophobicContact CE2-CD1 3.79Å; I156-L185 HydrophobicContact CD1-CD1 3.6Å; V170-L185 HydrophobicContact CG1-CD2 3.88Å; F181-L185 PolarHBondContact O-N 3.21Å; F181-L185 VanDerWaalsContact O-N 3.15Å; Y182-L185 PolarHBondContact O-N 3.38Å; L185-Q187 VanDerWaalsContact C-N 3.34Å; L185-Q187 PolarHBondContact O-N 3.24Å; L185-S188 PolarHBondContact O-N 2.91Å; L185-L189 HydrophobicContact CD1-CD1 4.3Å; L185-L189 HydrophobicContact CD1-CG 4.45Å; L185-L189 HydrophobicContact CG-CD1 4.25Å; L185-L189 WeakPolarHBondContact O-CG 3.3Å; L185-L189 PolarHBondContact O-N 3.38Å; L185-L189 VanDerWaalsContact O-N 3.08Å
186	L	92.3	Very high	89	Confident	54 Å²	54	58.4 Å²	58.4	28%	0.283	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-43	-179.8	-175.2	60.6	0	0	0	111.3	Y182 G183 K184 S188 L189 M190 M204	Y182-L186 WeakPolarHBondContact O-CB 3.48Å; Y182-L186 PolarHBondContact O-N 3.28Å; G183-L186 PolarHBondContact O-N 3.24Å; K184-L186 VanDerWaalsContact C-N 3.35Å; L186-S188 PolarHBondContact O-N 2.91Å; L186-L189 WeakPolarHBondContact O-CB 3.07Å; L186-L189 PolarHBondContact O-N 3.15Å; L186-L189 VanDerWaalsContact O-N 3.12Å; L186-M190 HydrophobicContact CD1-CE 4.22Å; L186-M190 HydrophobicContact CD1-CG 4.33Å; L186-M190 HydrophobicContact CG-CG 4.34Å; L186-M190 VanDerWaalsContact O-CG 3.29Å; L186-M190 WeakPolarHBondContact O-CG 3.4Å; L186-M190 PolarHBondContact O-N 3.23Å; L186-M204 HydrophobicContact CD1-CE 3.97Å; L186-M204 HydrophobicContact CD1-SD 4.11Å
187	Q	93.8	Very high	90.6	Very high	71 Å²	71	55 Å²	55	33%	0.332	28%	0.283	S	S	.	.	H	α-helix	trans	-57.1	-49	175.1	-174.2	63.6	48.6	0	0	111.3	G183 K184 L185 L189 M190 D191	G183-Q187 WeakPolarHBondContact O-CB 3.38Å; G183-Q187 PolarHBondContact O-N 3.5Å; K184-Q187 PolarHBondContact O-N 3.06Å; L185-Q187 VanDerWaalsContact C-N 3.34Å; L185-Q187 PolarHBondContact O-N 3.24Å; Q187-L189 PolarHBondContact O-N 3.22Å; Q187-M190 PolarHBondContact O-N 3.02Å; Q187-D191 PolarHBondContact NE2-OD1 3.32Å; Q187-D191 PolarHBondContact O-N 3.32Å
188	S	95	Very high	92.1	Very high	11 Å²	11	51.1 Å²	51.1	8%	0.077	27%	0.269	C	S	.	.	H	α-helix	trans	-60.6	-28.4	177.7	-65.2	0	0	0	0	113.6	K184 L185 L186 C192	K184-S188 PolarHBondContact O-N 3Å; K184-S188 PolarHBondContact O-OG 2.75Å; L185-S188 PolarHBondContact O-N 2.91Å; L186-S188 PolarHBondContact O-N 2.91Å; S188-C192 PolarHBondContact O-SG 3.29Å
189	L	95.3	Very high	93.2	Very high	1 Å²	1	53 Å²	53	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-77.6	-35	174	-68.7	172.1	0	0	0	112.6	I156 A160 I167 A171 L185 L186 Q187 D191 C192 V197 I200	I156-L189 HydrophobicContact CD1-CD2 3.79Å; I156-L189 HydrophobicContact CD1-CG 4.22Å; I156-L189 HydrophobicContact CG1-CD2 3.78Å; A160-L189 HydrophobicContact CB-CD2 3.84Å; I167-L189 HydrophobicContact CG2-CD1 3.63Å; I167-L189 HydrophobicContact CG2-CD2 3.61Å; I167-L189 HydrophobicContact CG2-CG 4.29Å; A171-L189 HydrophobicContact CB-CD1 3.93Å; L185-L189 HydrophobicContact CD1-CD1 4.3Å; L185-L189 HydrophobicContact CD1-CG 4.45Å; L185-L189 HydrophobicContact CG-CD1 4.25Å; L185-L189 WeakPolarHBondContact O-CG 3.3Å; L185-L189 PolarHBondContact O-N 3.38Å; L185-L189 VanDerWaalsContact O-N 3.08Å; L186-L189 WeakPolarHBondContact O-CB 3.07Å; L186-L189 PolarHBondContact O-N 3.15Å; L186-L189 VanDerWaalsContact O-N 3.12Å; Q187-L189 PolarHBondContact O-N 3.22Å; L189-D191 VanDerWaalsContact C-N 3.29Å; L189-C192 WeakPolarHBondContact O-CB 3.46Å; L189-C192 PolarHBondContact O-N 2.95Å; L189-C192 PolarHBondContact O-SG 3.24Å; L189-C192 VanDerWaalsContact O-SG 3.4Å; L189-V197 WeakPolarHBondContact O-CG2 3.03Å; L189-I200 HydrophobicContact CB-CD1 4.18Å; L189-I200 HydrophobicContact CD1-CG2 4.49Å; L189-I200 HydrophobicContact CD2-CD1 4Å
190	M	93.2	Very high	93.6	Very high	69 Å²	69	52.5 Å²	52.5	34%	0.34	26%	0.258	S	S	.	.	H	α-helix	trans	-76	-17.9	177.5	-62.7	-59.2	89	0	0	113	L186 Q187 C192 V197 I200	L186-M190 HydrophobicContact CD1-CE 4.22Å; L186-M190 HydrophobicContact CD1-CG 4.33Å; L186-M190 HydrophobicContact CG-CG 4.34Å; L186-M190 VanDerWaalsContact O-CG 3.29Å; L186-M190 WeakPolarHBondContact O-CG 3.4Å; L186-M190 PolarHBondContact O-N 3.23Å; Q187-M190 PolarHBondContact O-N 3.02Å; M190-C192 PolarHBondContact O-N 2.7Å; M190-V197 HydrophobicContact CE-CG1 3.87Å; M190-V197 HydrophobicContact CE-CG2 4.38Å; M190-V197 HydrophobicContact SD-CG1 3.8Å; M190-I200 HydrophobicContact CE-CG2 4.41Å
191	D	95.7	Very high	93.7	Very high	100 Å²	100	49.2 Å²	49.2	54%	0.535	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-0.3	174.1	-62.8	-24.5	0	0	0	112.9	Q187 L189	Q187-D191 PolarHBondContact NE2-OD1 3.32Å; Q187-D191 PolarHBondContact O-N 3.32Å; L189-D191 VanDerWaalsContact C-N 3.29Å
192	C	96.4	Very high	93.7	Very high	14 Å²	14	53.8 Å²	53.8	10%	0.095	27%	0.274	C	S	.	.	S	Bend	trans	-76.8	176.6	173.9	-58.3	0	0	0	0	112.1	C157 S188 L189 M190 T196 V197	C157-C192 WeakPolarHBondContact CA-SG 3.37Å; C157-C192 HydrophobicContact CB-CB 3.74Å; C157-C192 WeakPolarHBondContact CB-SG 3.42Å; C157-C192 WeakPolarHBondContact SG-CA 3.39Å; C157-C192 WeakPolarHBondContact SG-CB 3.19Å; C157-C192 CovalentContact SG-SG 2.04Å; C157-C192 PolarHBondContact SG-SG 2.78Å; S188-C192 PolarHBondContact O-SG 3.29Å; L189-C192 WeakPolarHBondContact O-CB 3.46Å; L189-C192 PolarHBondContact O-N 2.95Å; L189-C192 PolarHBondContact O-SG 3.24Å; L189-C192 VanDerWaalsContact O-SG 3.4Å; M190-C192 PolarHBondContact O-N 2.7Å; C192-T196 HydrophobicContact CB-CG2 3.95Å; C192-V197 HydrophobicContact CB-CG2 4.33Å
193	D	96.4	Very high	93.6	Very high	70 Å²	70	53 Å²	53	37%	0.374	27%	0.273	S	S	.	.			trans	-62.7	152.1	174.7	65.1	-82.6	0	0	0	112.2	D195 T196 V197	D193-D195 VanDerWaalsContact C-N 3.28Å; D193-D195 PolarHBondContact O-N 3.49Å; D193-D195 PolarHBondContact OD2-N 3.12Å; D193-T196 VanDerWaalsContact CG-OG1 3.23Å; D193-T196 WeakPolarHBondContact O-CB 3.16Å; D193-T196 PolarHBondContact O-N 3.17Å; D193-T196 VanDerWaalsContact O-N 3.07Å; D193-T196 WeakPolarHBondContact OD1-CB 3.45Å; D193-T196 PolarHBondContact OD1-OG1 3.08Å; D193-T196 PolarHBondContact OD2-N 2.88Å; D193-T196 PolarHBondContact OD2-OG1 3.31Å; D193-T196 VanDerWaalsContact OD2-OG1 3.05Å; D193-V197 WeakPolarHBondContact O-CG2 3.26Å; D193-V197 PolarHBondContact O-N 2.86Å
194	E	95.5	Very high	93.4	Very high	129 Å²	129	52.2 Å²	52.2	60%	0.603	26%	0.26	S	S	*	.	H	α-helix	trans	-55.3	-40.2	-173.9	-62.2	-68.4	160.4	0	0	112.7	T196 V197 D198	E194-T196 PolarHBondContact O-N 2.9Å; E194-V197 PolarHBondContact O-N 3.01Å; E194-D198 WeakPolarHBondContact O-CB 3.27Å; E194-D198 PolarHBondContact O-N 3.14Å
195	D	96.3	Very high	93	Very high	115 Å²	115	52.7 Å²	52.7	62%	0.615	27%	0.266	S	S	*	.	H	α-helix	trans	-65.4	-41.5	179.8	-68.7	-27.9	0	0	0	111.4	D193 R199	D193-D195 VanDerWaalsContact C-N 3.28Å; D193-D195 PolarHBondContact O-N 3.49Å; D193-D195 PolarHBondContact OD2-N 3.12Å; D195-R199 WeakPolarHBondContact O-CD 3.36Å; D195-R199 VanDerWaalsContact O-CG 3.26Å; D195-R199 WeakPolarHBondContact O-CG 3.34Å; D195-R199 PolarHBondContact O-N 3.47Å; D195-R199 VanDerWaalsContact O-N 3.15Å
196	T	95.1	Very high	92.4	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-64	-45.2	174.4	-64.2	0	0	0	0	110.8	A160 Q161 C192 D193 E194 D198 R199 I200	A160-T196 HydrophobicContact CB-CG2 4.06Å; Q161-T196 HydrophobicContact CB-CG2 4.32Å; C192-T196 HydrophobicContact CB-CG2 3.95Å; D193-T196 VanDerWaalsContact CG-OG1 3.23Å; D193-T196 WeakPolarHBondContact O-CB 3.16Å; D193-T196 PolarHBondContact O-N 3.17Å; D193-T196 VanDerWaalsContact O-N 3.07Å; D193-T196 WeakPolarHBondContact OD1-CB 3.45Å; D193-T196 PolarHBondContact OD1-OG1 3.08Å; D193-T196 PolarHBondContact OD2-N 2.88Å; D193-T196 PolarHBondContact OD2-OG1 3.31Å; D193-T196 VanDerWaalsContact OD2-OG1 3.05Å; E194-T196 PolarHBondContact O-N 2.9Å; T196-D198 PolarHBondContact O-N 3.13Å; T196-R199 PolarHBondContact O-N 3.44Å; T196-I200 HydrophobicContact CG2-CD1 3.75Å; T196-I200 HydrophobicContact CG2-CG1 4.48Å; T196-I200 WeakPolarHBondContact O-CD1 3.42Å; T196-I200 VanDerWaalsContact O-CG1 3.26Å; T196-I200 WeakPolarHBondContact O-CG1 3.21Å; T196-I200 PolarHBondContact O-N 3.08Å
197	V	95.1	Very high	91.8	Very high	18 Å²	18	58.6 Å²	58.6	11%	0.109	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-45.3	177.4	171.1	0	0	0	0	111.4	L189 M190 C192 D193 E194 R199 I200 R201	L189-V197 WeakPolarHBondContact O-CG2 3.03Å; M190-V197 HydrophobicContact CE-CG1 3.87Å; M190-V197 HydrophobicContact CE-CG2 4.38Å; M190-V197 HydrophobicContact SD-CG1 3.8Å; C192-V197 HydrophobicContact CB-CG2 4.33Å; D193-V197 WeakPolarHBondContact O-CG2 3.26Å; D193-V197 PolarHBondContact O-N 2.86Å; E194-V197 PolarHBondContact O-N 3.01Å; V197-R199 PolarHBondContact O-N 3.19Å; V197-I200 PolarHBondContact O-N 3.39Å; V197-R201 VanDerWaalsContact O-CB 3.3Å; V197-R201 WeakPolarHBondContact O-CB 3.41Å; V197-R201 PolarHBondContact O-N 2.79Å
198	D	94.5	Very high	90.9	Very high	61 Å²	61	57.1 Å²	57.1	33%	0.326	29%	0.291	S	S	.	.	H	α-helix	trans	-64.7	-38	179.8	-86.8	-15.4	0	0	0	112.5	E194 T196 T202	E194-D198 WeakPolarHBondContact O-CB 3.27Å; E194-D198 PolarHBondContact O-N 3.14Å; T196-D198 PolarHBondContact O-N 3.13Å; D198-T202 WeakPolarHBondContact O-CB 3.31Å; D198-T202 PolarHBondContact O-N 3.12Å; D198-T202 PolarHBondContact O-OG1 2.8Å
199	R	94.1	Very high	90	Very high	151 Å²	151	58 Å²	58	57%	0.57	30%	0.301	S	S	*	.	H	α-helix	trans	-65.5	-46.5	175	-71.7	167.4	-174.9	-96.5	-0.6	111.8	P164 D195 T196 V197 T202 S203	P164-R199 HydrophobicContact CB-CB 3.92Å; D195-R199 WeakPolarHBondContact O-CD 3.36Å; D195-R199 VanDerWaalsContact O-CG 3.26Å; D195-R199 WeakPolarHBondContact O-CG 3.34Å; D195-R199 PolarHBondContact O-N 3.47Å; D195-R199 VanDerWaalsContact O-N 3.15Å; T196-R199 PolarHBondContact O-N 3.44Å; V197-R199 PolarHBondContact O-N 3.19Å; R199-T202 PolarHBondContact O-N 3.27Å; R199-S203 PolarHBondContact O-N 3.22Å
200	I	92.4	Very high	89.2	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-48	177.1	-65.4	159.8	0	0	0	109.8	A160 I167 L189 M190 T196 V197 T202 S203 M204	A160-I200 HydrophobicContact CB-CD1 3.74Å; A160-I200 HydrophobicContact CB-CG1 4.28Å; I167-I200 HydrophobicContact CG2-CG1 4.3Å; I167-I200 HydrophobicContact CG2-CG2 4.39Å; L189-I200 HydrophobicContact CB-CD1 4.18Å; L189-I200 HydrophobicContact CD1-CG2 4.49Å; L189-I200 HydrophobicContact CD2-CD1 4Å; M190-I200 HydrophobicContact CE-CG2 4.41Å; T196-I200 HydrophobicContact CG2-CD1 3.75Å; T196-I200 HydrophobicContact CG2-CG1 4.48Å; T196-I200 WeakPolarHBondContact O-CD1 3.42Å; T196-I200 VanDerWaalsContact O-CG1 3.26Å; T196-I200 WeakPolarHBondContact O-CG1 3.21Å; T196-I200 PolarHBondContact O-N 3.08Å; V197-I200 PolarHBondContact O-N 3.39Å; I200-T202 VanDerWaalsContact C-N 3.31Å; I200-T202 PolarHBondContact O-N 2.83Å; I200-S203 CarbonylContact O-C 3.59Å; I200-S203 PolarHBondContact O-N 3.25Å; I200-M204 HydrophobicContact CG2-CG 4.2Å; I200-M204 HydrophobicContact CG2-SD 3.67Å; I200-M204 VanDerWaalsContact O-CG 3.3Å; I200-M204 WeakPolarHBondContact O-CG 3.07Å; I200-M204 PolarHBondContact O-N 3.05Å
201	R	88.9	Confident	88.2	Confident	64 Å²	64	66.7 Å²	66.7	24%	0.242	35%	0.35	C	S	.	.	H	α-helix	trans	-56.4	-47.5	178.2	-175.4	-178.8	-171.6	170	3.9	111.2	V197 S203 M204 V205	V197-R201 VanDerWaalsContact O-CB 3.3Å; V197-R201 WeakPolarHBondContact O-CB 3.41Å; V197-R201 PolarHBondContact O-N 2.79Å; R201-S203 VanDerWaalsContact C-N 3.26Å; R201-S203 PolarHBondContact O-N 2.85Å; R201-M204 PolarHBondContact O-N 3.03Å; R201-M204 VanDerWaalsContact O-N 3.14Å; R201-V205 HydrophobicContact CG-CG2 4.43Å; R201-V205 WeakPolarHBondContact O-CG2 3.28Å; R201-V205 PolarHBondContact O-N 3.22Å
202	T	90.3	Very high	87.2	Confident	100 Å²	100	65.8 Å²	65.8	61%	0.613	34%	0.344	S	S	*	.	H	α-helix	trans	-60.1	-38.3	177.6	-60.3	0	0	0	0	111.5	D198 R199 I200 P206	D198-T202 WeakPolarHBondContact O-CB 3.31Å; D198-T202 PolarHBondContact O-N 3.12Å; D198-T202 PolarHBondContact O-OG1 2.8Å; R199-T202 PolarHBondContact O-N 3.27Å; I200-T202 VanDerWaalsContact C-N 3.31Å; I200-T202 PolarHBondContact O-N 2.83Å; T202-P206 WeakPolarHBondContact O-CD 3.06Å
203	S	88.1	Confident	86.2	Confident	9 Å²	9	66.6 Å²	66.6	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-73.4	-27.9	176.9	-163.6	0	0	0	0	113.6	D165 R199 I200 R201 R207	D165-S203 WeakPolarHBondContact CA-OG 3.35Å; D165-S203 WeakPolarHBondContact OD1-CB 3.19Å; D165-S203 PolarHBondContact OD1-OG 3.24Å; R199-S203 PolarHBondContact O-N 3.22Å; I200-S203 CarbonylContact O-C 3.59Å; I200-S203 PolarHBondContact O-N 3.25Å; R201-S203 VanDerWaalsContact C-N 3.26Å; R201-S203 PolarHBondContact O-N 2.85Å; S203-R207 WeakPolarHBondContact O-CD 3.33Å; S203-R207 PolarHBondContact O-NE 2.83Å
204	M	86.6	Confident	85.3	Confident	18 Å²	18	68.3 Å²	68.3	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-80.2	-39.1	179.5	-71.9	178.4	67	0	0	113.2	A171 L173 L186 I200 R201 R207 L208	A171-M204 HydrophobicContact CB-CE 3.84Å; A171-M204 HydrophobicContact CB-CG 4.33Å; A171-M204 HydrophobicContact CB-SD 3.7Å; A171-M204 WeakPolarHBondContact O-CE 3.45Å; L173-M204 HydrophobicContact CD1-CE 4.02Å; L186-M204 HydrophobicContact CD1-CE 3.97Å; L186-M204 HydrophobicContact CD1-SD 4.11Å; I200-M204 HydrophobicContact CG2-CG 4.2Å; I200-M204 HydrophobicContact CG2-SD 3.67Å; I200-M204 VanDerWaalsContact O-CG 3.3Å; I200-M204 WeakPolarHBondContact O-CG 3.07Å; I200-M204 PolarHBondContact O-N 3.05Å; R201-M204 PolarHBondContact O-N 3.03Å; R201-M204 VanDerWaalsContact O-N 3.14Å; M204-R207 WeakPolarHBondContact O-CA 3.33Å; M204-R207 VanDerWaalsContact O-CB 3.3Å; M204-R207 WeakPolarHBondContact O-CB 3.33Å; M204-R207 PolarHBondContact O-N 2.91Å; M204-L208 PolarHBondContact O-N 3.46Å
205	V	83.9	Confident	84.5	Confident	47 Å²	47	66 Å²	66	29%	0.285	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-52.2	-47.5	-174	165.5	0	0	0	0	113.5	R201 R207 L208	R201-V205 HydrophobicContact CG-CG2 4.43Å; R201-V205 WeakPolarHBondContact O-CG2 3.28Å; R201-V205 PolarHBondContact O-N 3.22Å; V205-R207 PolarHBondContact O-N 3.08Å; V205-L208 PolarHBondContact O-N 2.79Å
206	P	82.4	Confident	83.7	Confident	101 Å²	101	62.4 Å²	62.4	66%	0.656	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-60.1	-17.9	178.5	-23.9	34	0	0	0	114.3	T202	T202-P206 WeakPolarHBondContact O-CD 3.06Å
207	R	78.8	Confident	82.9	Confident	81 Å²	81	67.6 Å²	67.6	31%	0.306	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-97.4	-9.6	-172.5	-50.1	175.9	-176.4	-86.5	7.4	113	E169 Q172 S203 M204 V205 G209	E169-R207 IonicContact OE1-CZ 2.79Å; E169-R207 IonicContact OE1-NH1 2.88Å; E169-R207 PolarHBondContact OE1-NH1 3.28Å; E169-R207 IonicContact OE1-NH2 3.32Å; E169-R207 PolarHBondContact OE1-NH2 3.39Å; Q172-R207 HydrophobicContact CG-CB 3.83Å; Q172-R207 HydrophobicContact CG-CG 4.33Å; S203-R207 WeakPolarHBondContact O-CD 3.33Å; S203-R207 PolarHBondContact O-NE 2.83Å; M204-R207 WeakPolarHBondContact O-CA 3.33Å; M204-R207 VanDerWaalsContact O-CB 3.3Å; M204-R207 WeakPolarHBondContact O-CB 3.33Å; M204-R207 PolarHBondContact O-N 2.91Å; V205-R207 PolarHBondContact O-N 3.08Å; R207-G209 PolarHBondContact O-N 3.04Å
208	L	75.9	Confident	82.2	Confident	40 Å²	40	71.7 Å²	71.7	21%	0.209	37%	0.372	C	S	.	.	S	Bend	trans	-73.7	-5.6	178.3	-63	173.7	0	0	0	112.9	L173 M204 V205 M212 I216	L173-L208 HydrophobicContact CB-CD2 4.41Å; L173-L208 HydrophobicContact CD1-CD2 3.93Å; L173-L208 HydrophobicContact CD2-CD2 4.43Å; L173-L208 HydrophobicContact CG-CD2 4.48Å; M204-L208 PolarHBondContact O-N 3.46Å; V205-L208 PolarHBondContact O-N 2.79Å; L208-M212 HydrophobicContact CB-CB 3.78Å; L208-M212 WeakPolarHBondContact O-CB 3.44Å; L208-I216 HydrophobicContact CD1-CD1 3.36Å
209	G	75.8	Confident	81.4	Confident	28 Å²	28	75.1 Å²	75.1	29%	0.289	39%	0.39	S	S	.	.	H	α-helix	trans	76.1	167.2	-175.2	0	0	0	0	0	112.4	R207 E211 T213	R207-G209 PolarHBondContact O-N 3.04Å; G209-E211 PolarHBondContact O-N 3.07Å; G209-T213 WeakPolarHBondContact O-CB 3.43Å; G209-T213 PolarHBondContact O-N 2.84Å; G209-T213 VanDerWaalsContact O-N 3.07Å; G209-T213 PolarHBondContact O-OG1 3.5Å
210	P	77.8	Confident	80.3	Confident	104 Å²	104	72.2 Å²	72.2	68%	0.675	38%	0.383	S	S	*	.	H	α-helix	trans	-64.4	-38	-172.5	23.8	-32.5	0	0	0	112.8	T213 M214	P210-T213 PolarHBondContact O-N 2.87Å; P210-M214 WeakPolarHBondContact O-CB 3.27Å; P210-M214 PolarHBondContact O-N 3.17Å
211	E	72.6	Confident	78.7	Confident	149 Å²	149	77.5 Å²	77.5	70%	0.696	41%	0.411	S	S	*	.	H	α-helix	trans	-64.1	-49.5	-177.8	-60.9	-59	133	0	0	112.6	G209 T213 M214 L215	G209-E211 PolarHBondContact O-N 3.07Å; E211-T213 VanDerWaalsContact C-N 3.35Å; E211-M214 PolarHBondContact O-N 3.4Å; E211-L215 PolarHBondContact O-N 3.41Å
212	M	74.7	Confident	77.2	Confident	82 Å²	82	83.6 Å²	83.6	40%	0.404	44%	0.439	S	S	.	.	H	α-helix	trans	-72	-32.2	178.3	-68.1	-66.7	-70.1	0	0	111.7	L208 L215 I216	L208-M212 HydrophobicContact CB-CB 3.78Å; L208-M212 WeakPolarHBondContact O-CB 3.44Å; M212-L215 PolarHBondContact O-N 3.39Å; M212-L215 HydrophobicContact SD-CD2 4.2Å; M212-I216 WeakPolarHBondContact O-CB 3.45Å; M212-I216 VanDerWaalsContact O-CG1 3.26Å; M212-I216 WeakPolarHBondContact O-CG1 3.44Å; M212-I216 PolarHBondContact O-N 2.86Å
213	T	75.4	Confident	75.7	Confident	30 Å²	30	84.7 Å²	84.7	18%	0.184	45%	0.448	C	S	.	.	H	α-helix	trans	-64	-44	173.2	-56.3	0	0	0	0	110.5	G209 P210 E211 I216 Q217	G209-T213 WeakPolarHBondContact O-CB 3.43Å; G209-T213 PolarHBondContact O-N 2.84Å; G209-T213 VanDerWaalsContact O-N 3.07Å; G209-T213 PolarHBondContact O-OG1 3.5Å; P210-T213 PolarHBondContact O-N 2.87Å; E211-T213 VanDerWaalsContact C-N 3.35Å; T213-I216 PolarHBondContact O-N 3.47Å; T213-Q217 WeakPolarHBondContact O-CB 3.27Å; T213-Q217 VanDerWaalsContact O-CG 3.27Å; T213-Q217 WeakPolarHBondContact O-CG 3.5Å; T213-Q217 PolarHBondContact O-N 3.24Å
214	M	78.1	Confident	73.5	Confident	107 Å²	107	89.5 Å²	89.5	53%	0.527	48%	0.48	S	S	.	.	H	α-helix	trans	-62.1	-43.6	174.6	-178.3	176.1	177.4	0	0	111.3	P210 E211 I216 Q217 L218	P210-M214 WeakPolarHBondContact O-CB 3.27Å; P210-M214 PolarHBondContact O-N 3.17Å; E211-M214 PolarHBondContact O-N 3.4Å; M214-I216 PolarHBondContact O-N 2.84Å; M214-Q217 PolarHBondContact O-N 3.29Å; M214-L218 HydrophobicContact CE-CD1 4.3Å; M214-L218 HydrophobicContact CG-CD1 4.19Å; M214-L218 HydrophobicContact CG-CG 4.49Å; M214-L218 WeakPolarHBondContact O-CB 3.49Å; M214-L218 VanDerWaalsContact O-CG 3.27Å; M214-L218 WeakPolarHBondContact O-CG 3.25Å; M214-L218 PolarHBondContact O-N 3.31Å
215	L	78.9	Confident	71.5	Confident	81 Å²	81	94.6 Å²	94.6	42%	0.424	52%	0.515	S	S	.	.	H	α-helix	trans	-58.9	-47.6	174.2	178.6	63.3	0	0	0	111.7	E211 M212 Q217 L218 L219	E211-L215 PolarHBondContact O-N 3.41Å; M212-L215 PolarHBondContact O-N 3.39Å; M212-L215 HydrophobicContact SD-CD2 4.2Å; L215-Q217 VanDerWaalsContact C-N 3.33Å; L215-Q217 PolarHBondContact O-N 2.85Å; L215-L218 PolarHBondContact O-N 3.31Å; L215-L219 HydrophobicContact CD1-CD1 4.1Å; L215-L219 HydrophobicContact CD1-CG 4.24Å; L215-L219 HydrophobicContact CG-CD1 3.95Å; L215-L219 HydrophobicContact CG-CG 4.48Å; L215-L219 WeakPolarHBondContact O-CB 3.3Å; L215-L219 VanDerWaalsContact O-CG 3.25Å; L215-L219 WeakPolarHBondContact O-CG 3.04Å; L215-L219 PolarHBondContact O-N 2.94Å
216	I	78.8	Confident	69.6	Low	39 Å²	39	97.7 Å²	97.7	20%	0.2	54%	0.538	C	S	.	.	H	α-helix	trans	-62.1	-43	177.9	-71.8	166.7	0	0	0	110.5	L208 M212 T213 M214 L218 L219 Q220	L208-I216 HydrophobicContact CD1-CD1 3.36Å; M212-I216 WeakPolarHBondContact O-CB 3.45Å; M212-I216 VanDerWaalsContact O-CG1 3.26Å; M212-I216 WeakPolarHBondContact O-CG1 3.44Å; M212-I216 PolarHBondContact O-N 2.86Å; T213-I216 PolarHBondContact O-N 3.47Å; M214-I216 PolarHBondContact O-N 2.84Å; I216-L218 PolarHBondContact O-N 2.89Å; I216-L219 CarbonylContact O-C 3.59Å; I216-L219 PolarHBondContact O-N 3.44Å; I216-Q220 HydrophobicContact CG2-CG 4.01Å; I216-Q220 WeakPolarHBondContact O-CB 3.49Å; I216-Q220 WeakPolarHBondContact O-CG 3.03Å; I216-Q220 PolarHBondContact O-N 3.19Å
217	Q	78.3	Confident	67.9	Low	109 Å²	109	100 Å²	100	51%	0.509	55%	0.551	S	S	.	*	H	α-helix	trans	-61.2	-43.7	175.2	-74.5	174.8	-6.9	0	0	111.5	T213 M214 L215 L219 Q220 N221	T213-Q217 WeakPolarHBondContact O-CB 3.27Å; T213-Q217 VanDerWaalsContact O-CG 3.27Å; T213-Q217 WeakPolarHBondContact O-CG 3.5Å; T213-Q217 PolarHBondContact O-N 3.24Å; M214-Q217 PolarHBondContact O-N 3.29Å; L215-Q217 VanDerWaalsContact C-N 3.33Å; L215-Q217 PolarHBondContact O-N 2.85Å; Q217-L219 VanDerWaalsContact C-N 3.32Å; Q217-L219 PolarHBondContact O-N 2.84Å; Q217-Q220 PolarHBondContact O-N 2.75Å; Q217-N221 WeakPolarHBondContact O-CB 3.33Å; Q217-N221 PolarHBondContact O-N 2.87Å; Q217-N221 PolarHBondContact O-ND2 2.57Å; Q217-N221 PolarHBondContact O-OD1 3.18Å
218	L	79.2	Confident	66.1	Low	104 Å²	104	100.5 Å²	100.5	55%	0.545	57%	0.573	S	S	.	*	H	α-helix	trans	-62.6	-37.7	175.4	-72.7	171.8	0	0	0	112.4	M214 L215 I216	M214-L218 HydrophobicContact CE-CD1 4.3Å; M214-L218 HydrophobicContact CG-CD1 4.19Å; M214-L218 HydrophobicContact CG-CG 4.49Å; M214-L218 WeakPolarHBondContact O-CB 3.49Å; M214-L218 VanDerWaalsContact O-CG 3.27Å; M214-L218 WeakPolarHBondContact O-CG 3.25Å; M214-L218 PolarHBondContact O-N 3.31Å; L215-L218 PolarHBondContact O-N 3.31Å; I216-L218 PolarHBondContact O-N 2.89Å
219	L	79.2	Confident	64.5	Low	133 Å²	133	101.9 Å²	101.9	70%	0.696	60%	0.597	S	S	*	*	H	α-helix	trans	-76.1	-28.8	176.8	-68.7	172.1	0	0	0	113.1	L215 I216 Q217	L215-L219 HydrophobicContact CD1-CD1 4.1Å; L215-L219 HydrophobicContact CD1-CG 4.24Å; L215-L219 HydrophobicContact CG-CD1 3.95Å; L215-L219 HydrophobicContact CG-CG 4.48Å; L215-L219 WeakPolarHBondContact O-CB 3.3Å; L215-L219 VanDerWaalsContact O-CG 3.25Å; L215-L219 WeakPolarHBondContact O-CG 3.04Å; L215-L219 PolarHBondContact O-N 2.94Å; I216-L219 CarbonylContact O-C 3.59Å; I216-L219 PolarHBondContact O-N 3.44Å; Q217-L219 VanDerWaalsContact C-N 3.32Å; Q217-L219 PolarHBondContact O-N 2.84Å
220	Q	70.2	Confident	62.8	Low	90 Å²	90	105.3 Å²	105.3	42%	0.421	62%	0.622	S	S	.	*	H	α-helix	trans	-85.2	-20.2	177.6	-74.7	177.3	-18.4	0	0	112.8	I216 Q217 K222	I216-Q220 HydrophobicContact CG2-CG 4.01Å; I216-Q220 WeakPolarHBondContact O-CB 3.49Å; I216-Q220 WeakPolarHBondContact O-CG 3.03Å; I216-Q220 PolarHBondContact O-N 3.19Å; Q217-Q220 PolarHBondContact O-N 2.75Å; Q220-K222 PolarHBondContact O-N 2.78Å; Q220-K222 VanDerWaalsContact O-N 3.14Å
221	N	59.8	Low	60.8	Low	111 Å²	111	105.1 Å²	105.1	59%	0.594	63%	0.629	S	S	*	*	S	Bend	trans	-60.1	119.2	170.9	-73.5	-18.7	0	0	0	108.1	Q217	Q217-N221 WeakPolarHBondContact O-CB 3.33Å; Q217-N221 PolarHBondContact O-N 2.87Å; Q217-N221 PolarHBondContact O-ND2 2.57Å; Q217-N221 PolarHBondContact O-OD1 3.18Å
222	K	57.4	Low	59.1	Low	193 Å²	193	102.4 Å²	102.4	84%	0.839	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-46.3	151.6	-177.9	-71.4	178.8	177.7	171.7	0	111.8	Q220	Q220-K222 PolarHBondContact O-N 2.78Å; Q220-K222 VanDerWaalsContact O-N 3.14Å
223	P	57.6	Low	57.4	Low	122 Å²	122	103.6 Å²	103.6	79%	0.792	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-54.3	144.8	178.3	22.1	-32.6	0	0	0	111.2
224	C	43	Very low	55.3	Low	111 Å²	111	109.3 Å²	109.3	75%	0.75	68%	0.683	S	S	*	*			trans	-40.4	136.9	171.2	-65.6	0	0	0	0	110	S226	C224-S226 PolarHBondContact O-N 2.89Å
225	P	43.5	Very low	53.4	Low	125 Å²	125	110.4 Å²	110.4	81%	0.812	70%	0.696	S	S	*	*			trans	-57.7	108.5	176.6	23.7	-31.3	0	0	0	108.1	T227	P225-T227 PolarHBondContact O-N 3.33Å
226	S	45.2	Very low	52	Low	111 Å²	111	112 Å²	112	78%	0.776	71%	0.711	S	S	*	*			trans	-60.3	121.6	160.3	-63.5	0	0	0	0	105.8	C224 A228	C224-S226 PolarHBondContact O-N 2.89Å; S226-A228 PolarHBondContact O-N 2.87Å
227	T	46.8	Very low	49.7	Very low	149 Å²	149	116.5 Å²	116.5	91%	0.914	74%	0.74	S	S	*	*			trans	-55.1	90.1	169.2	-46.2	0	0	0	0	108.7	P225	P225-T227 PolarHBondContact O-N 3.33Å
228	A	40.3	Very low	47.4	Very low	93 Å²	93	116 Å²	116	77%	0.769	75%	0.749	S	S	*	*			trans	-105.2	94.5	165.7	0	0	0	0	0	106.5	S226 A230	S226-A228 PolarHBondContact O-N 2.87Å; A228-A230 PolarHBondContact O-N 2.92Å
229	G	41.9	Very low	45.4	Very low	69 Å²	69	115.9 Å²	115.9	71%	0.711	76%	0.763	S	S	*	*			trans	-57.9	133	158.8	0	0	0	0	0	109.4
230	A	39.7	Very low	43.1	Very low	100 Å²	100	116.8 Å²	116.8	83%	0.826	76%	0.764	S	S	*	*			trans	55.6	106.9	156.3	0	0	0	0	0	118.3	A228	A228-A230 PolarHBondContact O-N 2.92Å
231	A	36.1	Very low	41.6	Very low	100 Å²	100	117.7 Å²	117.7	83%	0.826	78%	0.775	S	S	*	*				157.9	139.7	97	0	0	0	0	0	112.8
232	A	37.2	Very low	40.2	Very low	91 Å²	91	120.6 Å²	120.6	75%	0.752	78%	0.778	S	S	*	*			trans	69.2	94.9	151.3	0	0	0	0	0	120.7
233	S	38.4	Very low	39.3	Very low	108 Å²	108	116.5 Å²	116.5	76%	0.755	76%	0.757	S	S	*	*				32.2	112.9	123.6	60.8	0	0	0	0	120.7
234	V	32.5	Very low	38.2	Very low	150 Å²	150	119.3 Å²	119.3	91%	0.909	75%	0.752	S	S	*	*				-153.4	135.3	129.7	-176.3	0	0	0	0	109.3
235	V	36.7	Very low	37.8	Very low	130 Å²	130	123.3 Å²	123.3	79%	0.788	75%	0.751	S	S	*	*			trans	-71.9	157.4	179.3	162.7	0	0	0	0	111.6
236	P	50.2	Low	37.3	Very low	115 Å²	115	122.2 Å²	122.2	75%	0.747	75%	0.747	S	S	*	*			trans	-92.2	150.5	-150.6	35.5	-30.2	0	0	0	113.5
237	T	31	Very low	37	Very low	133 Å²	133	123.8 Å²	123.8	82%	0.816	74%	0.744	S	S	*	*			trans	-148.6	134.4	161.8	-38.4	0	0	0	0	110.1
238	S	29.6	Very low	36.5	Very low	99 Å²	99	118.8 Å²	118.8	69%	0.692	72%	0.721	S	S	*	*			trans	54.7	94.3	173.6	60.7	0	0	0	0	117	E240	S238-E240 PolarHBondContact O-N 2.97Å
239	A	37.6	Very low	36.3	Very low	101 Å²	101	120.4 Å²	120.4	84%	0.835	72%	0.724	S	S	*	*			trans	-68.9	81.5	153.4	0	0	0	0	0	108.7
240	E	30.6	Very low	36.2	Very low	152 Å²	152	123.1 Å²	123.1	71%	0.71	72%	0.722	S	S	*	*			trans	-82	110.6	155.4	-78.2	-169.8	161	0	0	107.3	S238 R242	S238-E240 PolarHBondContact O-N 2.97Å; E240-R242 PolarHBondContact O-N 3.08Å
241	T	39	Very low	36	Very low	108 Å²	108	126.5 Å²	126.5	66%	0.663	72%	0.723	S	S	*	*			trans	-68.1	75.4	171.2	-34.6	0	0	0	0	108.4	W243	T241-W243 HydrophobicContact CG2-CZ2 4.07Å; T241-W243 PolarHBondContact O-N 2.94Å
242	R	30.9	Very low	36	Very low	173 Å²	173	131.3 Å²	131.3	65%	0.653	72%	0.721	S	S	*	*			trans	-73.2	91.7	177.6	178.2	174.9	-86.9	-168.6	-10.3	108.7	E240 R244	E240-R242 PolarHBondContact O-N 3.08Å; R242-R244 VanDerWaalsContact C-N 3.26Å; R242-R244 HydrophobicContact CG-CG 4.05Å; R242-R244 PolarHBondContact O-N 2.05Å
243	W	38.4	Very low	35.8	Very low	107 Å²	107	136.4 Å²	136.4	41%	0.405	73%	0.726	S	S	.	*			trans	-68.4	84.9	164.4	-61.6	110.9	0	0	0	109	T241 W245	T241-W243 HydrophobicContact CG2-CZ2 4.07Å; T241-W243 PolarHBondContact O-N 2.94Å; W243-W245 VanDerWaalsContact C-N 3.3Å; W243-W245 PolarHBondContact O-N 3.37Å
244	R	34	Very low	36	Very low	181 Å²	181	138.6 Å²	138.6	68%	0.683	73%	0.728	S	S	*	*			trans	-74	89.8	164.2	-89.2	-175.4	-167	-92.8	1.4	108.4	R242 S246	R242-R244 VanDerWaalsContact C-N 3.26Å; R242-R244 HydrophobicContact CG-CG 4.05Å; R242-R244 PolarHBondContact O-N 2.05Å; R244-S246 VanDerWaalsContact C-N 3.25Å; R244-S246 PolarHBondContact O-N 3.19Å; R244-S246 VanDerWaalsContact O-N 3.11Å
245	W	35.4	Very low	36.1	Very low	194 Å²	194	140 Å²	140	74%	0.735	72%	0.724	S	S	*	*			trans	-71.3	93	148.1	-69.2	107.2	0	0	0	107.1	W243 M247	W243-W245 VanDerWaalsContact C-N 3.3Å; W243-W245 PolarHBondContact O-N 3.37Å; W245-M247 PolarHBondContact O-N 2.9Å
246	S	31.5	Very low	36.3	Very low	102 Å²	102	138.9 Å²	138.9	71%	0.713	72%	0.72	S	S	*	*			trans	-70.6	79.8	162.6	-65.6	0	0	0	0	107.9	R244 G248	R244-S246 VanDerWaalsContact C-N 3.25Å; R244-S246 PolarHBondContact O-N 3.19Å; R244-S246 VanDerWaalsContact O-N 3.11Å; S246-G248 PolarHBondContact O-N 2.7Å
247	M	39.5	Very low	35.5	Very low	145 Å²	145	140.4 Å²	140.4	71%	0.714	72%	0.722	S	S	*	*			trans	-69.7	78	160.1	-79.5	-76.5	-144.4	0	0	107.5	W245	W245-M247 PolarHBondContact O-N 2.9Å
248	G	35.6	Very low	36	Very low	43 Å²	43	142.2 Å²	142.2	44%	0.443	73%	0.726	S	S	.	*			trans	-66.1	152.7	160	0	0	0	0	0	109.3	S246 N250	S246-G248 PolarHBondContact O-N 2.7Å; G248-N250 PolarHBondContact O-N 3.13Å
249	P	36.8	Very low	36.6	Very low	127 Å²	127	148.1 Å²	148.1	83%	0.825	73%	0.733	S	S	*	*			trans	-66.8	99.9	-179.6	27.2	-32	0	0	0	109.4	M251	P249-M251 VanDerWaalsContact C-N 3.34Å; P249-M251 PolarHBondContact O-N 2.56Å
250	N	40.3	Very low	36.7	Very low	127 Å²	127	149.5 Å²	149.5	68%	0.679	73%	0.726	S	S	*	*			trans	-71.6	91.5	171.7	-91.8	-32.7	0	0	0	109.2	G248 Y252	G248-N250 PolarHBondContact O-N 3.13Å; N250-Y252 HydrophobicContact CB-CE2 4.31Å; N250-Y252 WeakPolarHBondContact O-CD2 3.48Å; N250-Y252 PolarHBondContact O-N 2.9Å; N250-Y252 VanDerWaalsContact O-N 3.12Å
251	M	35.2	Very low	37	Very low	170 Å²	170	153 Å²	153	84%	0.837	73%	0.733	S	S	*	*			trans	-67.2	100.8	159.1	-69.8	-129.7	77.6	0	0	108.3	P249 K253	P249-M251 VanDerWaalsContact C-N 3.34Å; P249-M251 PolarHBondContact O-N 2.56Å; M251-K253 VanDerWaalsContact C-N 3.31Å; M251-K253 PolarHBondContact O-N 3.13Å
252	Y	36.3	Very low	36.7	Very low	202 Å²	202	154.3 Å²	154.3	79%	0.792	74%	0.736	S	S	*	*			trans	-66.3	90.9	168.6	-66	-83	0	0	0	109.5	N250	N250-Y252 HydrophobicContact CB-CE2 4.31Å; N250-Y252 WeakPolarHBondContact O-CD2 3.48Å; N250-Y252 PolarHBondContact O-N 2.9Å; N250-Y252 VanDerWaalsContact O-N 3.12Å
253	K	31.9	Very low	36.9	Very low	197 Å²	197	151 Å²	151	86%	0.857	74%	0.739	S	S	*	*			trans	-95.1	89.7	169.7	-146.8	173.1	-170.2	174.6	0	108.1	M251 Q255	M251-K253 VanDerWaalsContact C-N 3.31Å; M251-K253 PolarHBondContact O-N 3.13Å; K253-Q255 PolarHBondContact O-N 3.3Å
254	I	44.1	Very low	37	Very low	155 Å²	155	150.9 Å²	150.9	80%	0.795	76%	0.761	S	S	*	*			trans	-70.8	107.2	168.3	-63.5	150.1	0	0	0	106.5
255	Q	33.1	Very low	37.1	Very low	178 Å²	178	146.7 Å²	146.7	83%	0.832	76%	0.759	S	S	*	*			trans	-86.6	119.7	175.2	-149.1	176.3	36.3	0	0	108.1	K253 N257	K253-Q255 PolarHBondContact O-N 3.3Å; Q255-N257 PolarHBondContact O-N 3.31Å
256	P	40.3	Very low	37.2	Very low	107 Å²	107	145.2 Å²	145.2	70%	0.695	76%	0.76	S	S	*	*			trans	-73.6	120.6	176.4	28.7	-30.1	0	0	0	108.9	L258	P256-L258 PolarHBondContact O-N 3.2Å
257	N	34.2	Very low	37.5	Very low	147 Å²	147	147.9 Å²	147.9	79%	0.786	77%	0.766	S	S	*	*			trans	-72.2	106.4	175.3	-149.9	-75.7	0	0	0	108.6	Q255 R259	Q255-N257 PolarHBondContact O-N 3.31Å; N257-R259 PolarHBondContact O-N 3.21Å
258	L	41.8	Very low	37.2	Very low	171 Å²	171	145.3 Å²	145.3	90%	0.895	78%	0.776	S	S	*	*			trans	-70.7	103.4	165.4	-94.8	126.5	0	0	0	108.3	P256	P256-L258 PolarHBondContact O-N 3.2Å
259	R	41.7	Very low	37.3	Very low	223 Å²	223	152.5 Å²	152.5	84%	0.842	80%	0.795	S	S	*	*			trans	-123.2	102.4	161.2	-156.5	151	175.4	170.5	-4	109.7	N257 R261	N257-R259 PolarHBondContact O-N 3.21Å; R259-R261 PolarHBondContact O-N 3.4Å
260	N	39.6	Very low	37.4	Very low	130 Å²	130	156.2 Å²	156.2	70%	0.695	80%	0.798	S	S	*	*			trans	-34.8	120.6	165.9	-171.3	17.3	0	0	0	112.1
261	R	36.5	Very low	37.8	Very low	226 Å²	226	161.4 Å²	161.4	85%	0.853	81%	0.809	S	S	*	*			trans	-142.7	89.7	162.5	-164.8	172.2	-176.6	148.5	0.8	108.2	R259 S263	R259-R261 PolarHBondContact O-N 3.4Å; R261-S263 PolarHBondContact O-N 3.21Å
262	D	33.7	Very low	38.1	Very low	136 Å²	136	159.4 Å²	159.4	73%	0.727	81%	0.808	S	S	*	*			trans	-50	126.4	164.9	-73.6	-55.9	0	0	0	110.2
263	S	34.9	Very low	38.1	Very low	102 Å²	102	153.2 Å²	153.2	71%	0.713	81%	0.805	S	S	*	*			trans	-144.1	76.9	161.6	-70	0	0	0	0	106.7	R261 S265	R261-S263 PolarHBondContact O-N 3.21Å; S263-S265 PolarHBondContact O-N 3.35Å
264	A	39.6	Very low	38.4	Very low	105 Å²	105	149 Å²	149	87%	0.868	80%	0.801	S	S	*	*			trans	-67	107.5	165.7	0	0	0	0	0	108.3
265	S	36.3	Very low	38.4	Very low	93 Å²	93	149.5 Å²	149.5	65%	0.65	81%	0.805	S	S	*	*			trans	-153.5	124.4	158.7	73.4	0	0	0	0	110.9	S263	S263-S265 PolarHBondContact O-N 3.35Å
266	H	37.8	Very low	38.8	Very low	163 Å²	163	144.3 Å²	144.3	76%	0.755	80%	0.799	S	S	*	*			trans	88.7	103.1	155	-61.3	-66	0	0	0	121.9
267	L	37.7	Very low	38.5	Very low	159 Å²	159	148.8 Å²	148.8	83%	0.832	83%	0.833	S	S	*	*				79.3	81.5	122	-72.4	158.1	0	0	0	119
268	G	33.5	Very low	38.7	Very low	90 Å²	90	148.9 Å²	148.9	93%	0.928	84%	0.836	S	S	*	*			trans	-104.8	96.4	156.8	0	0	0	0	0	111.6
269	K	38.8	Very low	38.6	Very low	195 Å²	195	147.7 Å²	147.7	85%	0.848	83%	0.832	S	S	*	*			trans	-90.8	113.8	167	-178.3	162.8	179.4	170	0	108.7
270	K	37.1	Very low	38.4	Very low	204 Å²	204	143.6 Å²	143.6	89%	0.887	83%	0.832	S	S	*	*			trans	-159.4	125.7	154.3	-109.8	-179	-176.6	-173.3	0	110.5
271	R	49.4	Very low	38.3	Very low	237 Å²	237	144.4 Å²	144.4	89%	0.894	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-73.9	150.4	171.7	-64	174	-179.8	157.6	-2.7	109.8
272	P	41.8	Very low	38.5	Very low	128 Å²	128	139.3 Å²	139.3	83%	0.831	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-101.6	126.3	153.5	28.9	-16.3	0	0	0	110.2
273	G	35.8	Very low	38.8	Very low	71 Å²	71	139.5 Å²	139.5	73%	0.732	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-93.1	140	162.4	0	0	0	0	0	109.9
274	S	39.2	Very low	39	Very low	108 Å²	108	142.1 Å²	142.1	76%	0.755	86%	0.856	S	S	*	*			trans	18.1	125.3	147.8	-177.3	0	0	0	0	119.5
275	D	43.4	Very low	39	Very low	167 Å²	167	145 Å²	145	89%	0.893	86%	0.855	S	S	*	*				-167.9	139.6	120.2	-78.9	-25	0	0	0	105.4
276	G	41.7	Very low	39.2	Very low	68 Å²	68	149.3 Å²	149.3	70%	0.701	87%	0.872	S	S	*	*			cis	147.2	100.8	17.2	0	0	0	0	0	106
277	S	34.6	Very low	39.4	Very low	202 Å²	202	148.1 Å²	148.1	100%	1.413	88%	0.883	S	S	*	*			trans	176.4	0	156.6	-77.2	0	0	0	0	109.5

Retrieved 277 of 277 residues in 300.8 ms (Link to these results)

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