A0A3B3UBC2_9TELE Loading...

Ras-related protein Rab-12

AlphaFold DB , UniProt , Accession A0A3B3UBC2, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 244 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.3	Very low	40.2	Very low	251 Å²	251	167.2 Å²	167.2	100%	1.236	81%	0.813	S	S	*	*				0	102.3	0	-77.6	170.7	168.4	0	0	106.4
2	D	43.4	Very low	39.9	Very low	148 Å²	148	161.8 Å²	161.8	79%	0.791	82%	0.815	S	S	*	*			trans	-111	141.5	163.9	-161	-31.7	0	0	0	105	R4	D2-R4 PolarHBondContact OD1-N 2.95Å
3	P	46.5	Very low	39.6	Very low	104 Å²	104	157.5 Å²	157.5	68%	0.675	82%	0.82	S	S	*	*				-142.4	124.1	120.4	31.8	-14.5	0	0	0	114.4
4	R	37.1	Very low	39	Very low	185 Å²	185	151.8 Å²	151.8	70%	0.698	82%	0.819	S	S	*	*				51.2	125.7	116.4	-50	-176.6	-134.8	163.6	2.3	116	D2	D2-R4 PolarHBondContact OD1-N 2.95Å
5	Y	41.3	Very low	38.4	Very low	180 Å²	180	147.5 Å²	147.5	71%	0.706	83%	0.825	S	S	*	*				167	149.2	85.9	-98.3	-81.1	0	0	0	105.1
6	D	38.7	Very low	38	Very low	139 Å²	139	143 Å²	143	74%	0.743	82%	0.821	S	S	*	*			cis	-165.1	156.8	0.8	-142.6	-12.7	0	0	0	107.6
7	I	39.1	Very low	37.7	Very low	149 Å²	149	142.1 Å²	142.1	76%	0.764	83%	0.825	S	S	*	*			trans	-105.8	140.6	174.4	-67.9	167	0	0	0	106.5
8	P	47.6	Very low	37.3	Very low	109 Å²	109	138.9 Å²	138.9	71%	0.708	83%	0.829	S	S	*	*				-161.6	175	93.3	36.6	-12.3	0	0	0	115.2
9	R	35.3	Very low	37	Very low	233 Å²	233	135.6 Å²	135.6	88%	0.879	83%	0.826	S	S	*	*			cis	-166.7	148.1	6.6	-121.5	163.3	-171.4	-150.4	3.8	108.8
10	R	33.8	Very low	36.8	Very low	241 Å²	241	140.6 Å²	140.6	91%	0.909	83%	0.831	S	S	*	*			trans	1.9	150.4	151.4	-82.8	175.3	158.6	179.2	-6.1	122.8
11	A	33.6	Very low	36.6	Very low	100 Å²	100	143.2 Å²	143.2	83%	0.826	84%	0.835	S	S	*	*			trans	115.6	143.8	133	0	0	0	0	0	112.5
12	A	36.5	Very low	36	Very low	102 Å²	102	138.9 Å²	138.9	84%	0.843	82%	0.817	S	S	*	*			cis	-163.7	174.1	-7.7	0	0	0	0	0	106.8
13	A	35.5	Very low	35.6	Very low	106 Å²	106	137.1 Å²	137.1	88%	0.876	82%	0.816	S	S	*	*			trans	-59.7	163.2	-177.6	0	0	0	0	0	116.5
14	G	31.4	Very low	35.5	Very low	78 Å²	78	137.8 Å²	137.8	80%	0.804	82%	0.823	S	S	*	*			trans	131.5	104.7	140.5	0	0	0	0	0	117.1
15	G	30.5	Very low	35.7	Very low	88 Å²	88	134.6 Å²	134.6	91%	0.907	83%	0.827	S	S	*	*			trans	21.8	137.2	144.9	0	0	0	0	0	122.7
16	G	30.8	Very low	35.8	Very low	75 Å²	75	131 Å²	131	77%	0.773	83%	0.834	S	S	*	*			trans	167.6	91.6	160.8	0	0	0	0	0	115.1
17	S	33.8	Very low	36.2	Very low	127 Å²	127	132.8 Å²	132.8	89%	0.888	84%	0.842	S	S	*	*			trans	12	133	142.4	-35.2	0	0	0	0	121.4
18	G	30.2	Very low	36.3	Very low	86 Å²	86	128.7 Å²	128.7	89%	0.887	84%	0.837	S	S	*	*			trans	93.1	133.1	131.1	0	0	0	0	0	117.8
19	G	31.2	Very low	36.2	Very low	76 Å²	76	128.5 Å²	128.5	78%	0.784	85%	0.845	S	S	*	*			trans	144.5	92	161.8	0	0	0	0	0	114.1
20	Y	32.4	Very low	36.9	Very low	235 Å²	235	126.1 Å²	126.1	92%	0.922	84%	0.844	S	S	*	*			trans	-60.1	136.1	162.4	-77.2	-104	0	0	0	110.1
21	E	33.2	Very low	37.8	Very low	196 Å²	196	119.8 Å²	119.8	92%	0.916	84%	0.836	S	S	*	*			trans	-161.7	144.8	144.4	-112.3	170	164.6	0	0	113.6
22	N	33.6	Very low	38.8	Very low	159 Å²	159	126.2 Å²	126.2	85%	0.85	84%	0.839	S	S	*	*			trans	-63.1	134.7	-167.6	-84.4	-39.8	0	0	0	115.1
23	S	36.2	Very low	39.7	Very low	111 Å²	111	132.6 Å²	132.6	78%	0.776	84%	0.841	S	S	*	*			trans	-154.3	96.7	146.9	57.4	0	0	0	0	110.4	P25	S23-P25 WeakPolarHBondContact O-CD 3.43Å
24	S	44.7	Very low	40.5	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-73.4	123.4	167.9	-64.9	0	0	0	0	110
25	P	41.3	Very low	41.3	Very low	118 Å²	118	145 Å²	145	77%	0.766	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-89.7	146.6	163.6	29.9	-19.9	0	0	0	110.4	S23 L27	S23-P25 WeakPolarHBondContact O-CD 3.43Å; P25-L27 PolarHBondContact O-N 3.15Å
26	A	42.8	Very low	41.9	Very low	103 Å²	103	148.9 Å²	148.9	85%	0.851	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-51.3	125.3	-179.3	0	0	0	0	0	113.2	G28	A26-G28 PolarHBondContact O-N 3.39Å; A26-G28 VanDerWaalsContact O-N 3.15Å
27	L	46.8	Very low	43.1	Very low	177 Å²	177	150.4 Å²	150.4	93%	0.927	84%	0.84	S	S	*	*			trans	-70	106	166.7	-84.8	158.3	0	0	0	108.9	P25 A29	P25-L27 PolarHBondContact O-N 3.15Å; L27-A29 PolarHBondContact O-N 2.84Å
28	G	40.2	Very low	44.2	Very low	64 Å²	64	150.1 Å²	150.1	66%	0.66	84%	0.835	S	S	*	*			trans	-55.4	127.8	170.9	0	0	0	0	0	111	A26 Q30	A26-G28 PolarHBondContact O-N 3.39Å; A26-G28 VanDerWaalsContact O-N 3.15Å; G28-Q30 VanDerWaalsContact C-N 3.28Å; G28-Q30 PolarHBondContact O-N 3.37Å
29	A	47.2	Very low	45.6	Very low	105 Å²	105	155.2 Å²	155.2	87%	0.868	83%	0.828	S	S	*	*			trans	-63.4	89.3	168.3	0	0	0	0	0	109.3	L27 S31	L27-A29 PolarHBondContact O-N 2.84Å; A29-S31 VanDerWaalsContact C-N 3.3Å; A29-S31 PolarHBondContact O-N 2.82Å
30	Q	48.8	Very low	47.3	Very low	183 Å²	183	157 Å²	157	86%	0.855	83%	0.825	S	S	*	*			trans	-70.4	94.8	165.4	-73.6	-176.1	-0.6	0	0	107.7	G28 R32	G28-Q30 VanDerWaalsContact C-N 3.28Å; G28-Q30 PolarHBondContact O-N 3.37Å; Q30-R32 VanDerWaalsContact C-N 3.3Å; Q30-R32 PolarHBondContact O-N 2.95Å
31	S	52.1	Low	49	Very low	108 Å²	108	147.8 Å²	147.8	76%	0.755	80%	0.798	S	S	*	*			trans	-51.7	97	164.3	168.7	0	0	0	0	108.4	A29 R33	A29-S31 VanDerWaalsContact C-N 3.3Å; A29-S31 PolarHBondContact O-N 2.82Å; S31-R33 VanDerWaalsContact C-N 3.3Å; S31-R33 PolarHBondContact O-N 2.77Å
32	R	55.1	Low	51	Low	234 Å²	234	142.8 Å²	142.8	88%	0.883	78%	0.778	S	S	*	*			trans	-56	98.6	166.7	-73.2	-177.6	176.1	-172.6	-1	106.5	Q30 R34	Q30-R32 VanDerWaalsContact C-N 3.3Å; Q30-R32 PolarHBondContact O-N 2.95Å; R32-R34 VanDerWaalsContact C-N 3.25Å; R32-R34 PolarHBondContact O-N 2.82Å
33	R	55.7	Low	53.5	Low	236 Å²	236	138.1 Å²	138.1	89%	0.891	75%	0.75	S	S	*	*			trans	-55.5	98.1	165.5	-99.8	-177.2	164.3	-175.9	-3.6	106	S31 K35	S31-R33 VanDerWaalsContact C-N 3.3Å; S31-R33 PolarHBondContact O-N 2.77Å; R33-K35 PolarHBondContact O-N 2.99Å
34	R	52.4	Low	56	Low	234 Å²	234	138.7 Å²	138.7	88%	0.883	74%	0.738	S	S	*	*			trans	-53.3	112.7	167.4	-78.9	176	134.7	173.5	-4.9	105.4	R32 M36	R32-R34 VanDerWaalsContact C-N 3.25Å; R32-R34 PolarHBondContact O-N 2.82Å; R34-M36 VanDerWaalsContact C-N 3.34Å; R34-M36 PolarHBondContact O-N 2.89Å
35	K	47.5	Very low	58.4	Low	211 Å²	211	133.1 Å²	133.1	92%	0.917	70%	0.699	S	S	*	*			trans	-56.1	106.4	166.4	-80.3	-176.5	176.2	-179.3	0	105.2	R33	R33-K35 PolarHBondContact O-N 2.99Å
36	M	44.8	Very low	60.8	Low	169 Å²	169	130 Å²	130	83%	0.833	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-58.2	138	175.4	-73.8	176.7	86.3	0	0	107.4	R34	R34-M36 VanDerWaalsContact C-N 3.34Å; R34-M36 PolarHBondContact O-N 2.89Å
37	P	54.5	Low	63.3	Low	108 Å²	108	125.1 Å²	125.1	70%	0.701	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-55	142.7	173.1	23.4	-31.4	0	0	0	108.6	R39	P37-R39 PolarHBondContact O-N 3.22Å
38	P	57.6	Low	65.6	Low	121 Å²	121	116.7 Å²	116.7	79%	0.786	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-52.8	130.7	176.5	21.4	-30.5	0	0	0	108.6
39	R	59.3	Low	68.2	Low	192 Å²	192	113.7 Å²	113.7	73%	0.725	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-50	131.6	178.1	-75.9	-178.8	-90.4	-171	-0.2	108.8	P37 A41	P37-R39 PolarHBondContact O-N 3.22Å; R39-A41 PolarHBondContact O-N 2.8Å
40	P	66.6	Low	70.3	Confident	113 Å²	113	108.7 Å²	108.7	73%	0.734	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-56.7	140.5	177.3	21.6	-29.3	0	0	0	109.2
41	A	68.6	Low	72.4	Confident	42 Å²	42	100 Å²	100	35%	0.347	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-64	138.6	177.7	0	0	0	0	0	109.6	R39 F43 K92 R94	R39-A41 PolarHBondContact O-N 2.8Å; A41-F43 VanDerWaalsContact C-N 3.29Å; A41-K92 CarbonylContact C-O 3.58Å; A41-R94 HydrophobicContact CB-CB 3.76Å
42	D	75.6	Confident	74.3	Confident	92 Å²	92	95.2 Å²	95.2	49%	0.492	44%	0.443	S	S	.	.	S	Bend	trans	-71.5	-30.4	179.8	-54.7	-57.2	0	0	0	110.9	K91 K92	D42-K91 HydrophobicContact CB-CB 4.46Å; D42-K92 PolarHBondContact N-O 3.11Å; D42-K92 PolarHBondContact OD2-N 3.48Å
43	F	84.6	Confident	75.9	Confident	61 Å²	61	91.2 Å²	91.2	27%	0.268	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.2	180	-62.7	-86.7	0	0	0	111.9	A41 K91 K92 I93 R94	A41-F43 VanDerWaalsContact C-N 3.29Å; F43-K91 HydrophobicContact CD2-CB 4.22Å; F43-K91 HydrophobicContact CD2-CD 4.09Å; F43-K91 HydrophobicContact CD2-CG 4.41Å; F43-K91 HydrophobicContact CE2-CB 4.31Å; F43-K91 HydrophobicContact CE2-CD 3.53Å; F43-K91 HydrophobicContact CE2-CG 3.99Å; F43-K91 HydrophobicContact CZ-CD 4.37Å; F43-K92 PolarHBondContact N-O 3.28Å; F43-I93 HydrophobicContact CB-CG1 4.39Å; F43-I93 HydrophobicContact CB-CG2 4.35Å; F43-I93 WeakPolarHBondContact O-CA 3.3Å; F43-R94 PolarHBondContact O-N 2.73Å
44	K	90.6	Very high	77.5	Confident	122 Å²	122	82.2 Å²	82.2	53%	0.53	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.7	171.3	175.3	-175	165.7	180	0	108.4	R94 Q96	K44-R94 WeakPolarHBondContact CA-O 3.09Å; K44-Q96 VanDerWaalsContact CE-NE2 3.32Å
45	L	93.4	Very high	79.5	Confident	2 Å²	2	71 Å²	71	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.7	177.5	-59.6	-178.4	0	0	0	110.1	I93 R94 L95 Q96 K118 V203 I206 M210	L45-I93 HydrophobicContact CB-CG2 4.38Å; L45-I93 HydrophobicContact CD1-CG2 3.66Å; L45-I93 HydrophobicContact CG-CG2 3.74Å; L45-R94 PolarHBondContact N-O 3.19Å; L45-L95 HydrophobicContact CB-CD2 4.02Å; L45-L95 HydrophobicContact CD1-CD2 4.21Å; L45-Q96 PolarHBondContact O-N 3.41Å; L45-K118 HydrophobicContact CD2-CB 4.48Å; L45-V203 HydrophobicContact CD1-CG1 3.92Å; L45-V203 HydrophobicContact CD1-CG2 4.38Å; L45-I206 HydrophobicContact CD1-CB 4.4Å; L45-I206 HydrophobicContact CD1-CD1 4.37Å; L45-I206 HydrophobicContact CD1-CG2 3.97Å; L45-I206 HydrophobicContact CD2-CG2 3.88Å; L45-M210 HydrophobicContact CD2-CE 3.45Å; L45-M210 VanDerWaalsContact CD2-CE 3.45Å; L45-M210 HydrophobicContact CD2-SD 4.16Å
46	Q	93.6	Very high	81.7	Confident	53 Å²	53	61.6 Å²	61.6	25%	0.248	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	126.8	173	-62	-169.9	-49.2	0	0	109.4	Q96 G116 K118 G119	Q46-Q96 WeakPolarHBondContact CA-O 3.45Å; Q46-Q96 HydrophobicContact CG-CB 4.11Å; Q46-G116 PolarHBondContact OE1-O 3.39Å; Q46-K118 PolarHBondContact O-N 2.95Å; Q46-G119 PolarHBondContact O-N 2.99Å
47	I	95.1	Very high	84	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.5	177	-61.5	173.2	0	0	0	107.7	L95 Q96 I97 W98 G119 V121 F199 L202 V203	I47-L95 HydrophobicContact CD1-CD1 4.43Å; I47-L95 HydrophobicContact CD1-CD2 4.15Å; I47-Q96 PolarHBondContact N-O 2.84Å; I47-I97 WeakPolarHBondContact O-CA 3.43Å; I47-W98 PolarHBondContact O-N 3.49Å; I47-G119 VanDerWaalsContact CA-O 3.27Å; I47-G119 WeakPolarHBondContact CA-O 3.45Å; I47-V121 HydrophobicContact CG2-CG2 4.01Å; I47-F199 HydrophobicContact CD1-CD1 4.38Å; I47-F199 HydrophobicContact CG2-CE1 4.47Å; I47-L202 HydrophobicContact CD1-CD2 4.21Å; I47-L202 HydrophobicContact CG1-CD2 4.38Å; I47-L202 HydrophobicContact CG2-CD2 3.96Å; I47-V203 HydrophobicContact CD1-CG2 4.1Å
48	I	94	Very high	85.9	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.9	172.5	64.7	167.4	0	0	0	109.3	I50 W98 Y114 A117 G119 I120 V121	I48-I50 HydrophobicContact CD1-CG2 4.07Å; I48-I50 HydrophobicContact CG1-CG2 4.42Å; I48-W98 HydrophobicContact CG2-CB 4.04Å; I48-W98 HydrophobicContact CG2-CG 4.33Å; I48-Y114 HydrophobicContact CD1-CD1 3.4Å; I48-Y114 VanDerWaalsContact CD1-CD1 3.4Å; I48-Y114 HydrophobicContact CD1-CE1 3.59Å; I48-Y114 HydrophobicContact CD1-CG 3.95Å; I48-A117 HydrophobicContact CD1-CB 4.16Å; I48-A117 HydrophobicContact CG1-CB 3.92Å; I48-A117 HydrophobicContact CG2-CB 3.89Å; I48-G119 PolarHBondContact N-O 3.26Å; I48-G119 VanDerWaalsContact N-O 3.07Å; I48-I120 HydrophobicContact CD1-CD1 4.11Å; I48-I120 HydrophobicContact CD1-CG1 3.96Å; I48-I120 HydrophobicContact CD1-CG2 4.08Å; I48-I120 HydrophobicContact CG1-CB 4.15Å; I48-I120 HydrophobicContact CG1-CD1 4.49Å; I48-I120 HydrophobicContact CG1-CG1 3.79Å; I48-I120 HydrophobicContact CG1-CG2 3.94Å; I48-V121 PolarHBondContact O-N 3.44Å
49	I	94.3	Very high	87.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.9	174.1	-47.2	178.9	0	0	0	108.2	K57 M61 I97 W98 T100 V121 V123 F199	I49-K57 HydrophobicContact CG2-CB 3.74Å; I49-K57 HydrophobicContact CG2-CD 4.03Å; I49-K57 HydrophobicContact CG2-CG 3.82Å; I49-M61 HydrophobicContact CD1-CB 3.94Å; I49-I97 HydrophobicContact CD1-CG2 3.71Å; I49-I97 HydrophobicContact CG1-CG2 4.01Å; I49-W98 PolarHBondContact N-O 2.97Å; I49-T100 PolarHBondContact O-N 3.18Å; I49-T100 PolarHBondContact O-OG1 2.81Å; I49-V121 WeakPolarHBondContact CA-O 3.46Å; I49-V121 HydrophobicContact CG1-CB 4.33Å; I49-V121 HydrophobicContact CG2-CB 4.28Å; I49-V121 HydrophobicContact CG2-CG1 4.38Å; I49-V123 HydrophobicContact CG2-CG2 3.59Å; I49-F199 HydrophobicContact CD1-CE1 4.13Å; I49-F199 HydrophobicContact CD1-CZ 3.84Å
50	I	93	Very high	89.3	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	162	-177.3	69.9	172.4	0	0	0	110.8	I48 Y114 I120 V121 V122 V123 W138 I142	I48-I50 HydrophobicContact CD1-CG2 4.07Å; I48-I50 HydrophobicContact CG1-CG2 4.42Å; I50-Y114 HydrophobicContact CD1-CE1 4.04Å; I50-Y114 HydrophobicContact CG2-CE1 4.32Å; I50-I120 HydrophobicContact CD1-CG2 3.92Å; I50-I120 HydrophobicContact CG1-CG2 4.16Å; I50-V121 PolarHBondContact N-O 3.05Å; I50-V122 HydrophobicContact CD1-CG2 4.03Å; I50-V122 HydrophobicContact CG1-CB 4.35Å; I50-V122 HydrophobicContact CG1-CG1 4.29Å; I50-V122 HydrophobicContact CG1-CG2 4.01Å; I50-V123 PolarHBondContact O-N 2.96Å; I50-W138 HydrophobicContact CB-CE3 4.05Å; I50-W138 HydrophobicContact CB-CZ3 4.21Å; I50-W138 HydrophobicContact CD1-CB 4.01Å; I50-W138 HydrophobicContact CD1-CE3 4.07Å; I50-W138 HydrophobicContact CG1-CE3 4.36Å; I50-I142 HydrophobicContact CD1-CD1 3.76Å; I50-I142 HydrophobicContact CD1-CG1 3.89Å
51	G	92.7	Very high	90.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.16	C	C	.	.			trans	140.2	166.6	-174.9	0	0	0	0	0	112.1	K57 G102 V123 W138	G51-K57 WeakPolarHBondContact O-CE 3.49Å; G51-K57 PolarHBondContact O-NZ 2.98Å; G51-G102 WeakPolarHBondContact O-CA 3.5Å; G51-V123 WeakPolarHBondContact CA-O 3.35Å; G51-W138 VanDerWaalsContact O-CZ2 3.29Å; G51-W138 WeakPolarHBondContact O-CZ2 3.34Å
52	S	91	Very high	91.8	Very high	8 Å²	8	30 Å²	30	6%	0.056	15%	0.153	C	C	.	.	S	Bend	trans	-62.6	166.2	-173	-49.6	0	0	0	0	113.2	G54 V55 K57 D134	S52-G54 PolarHBondContact O-N 3.08Å; S52-V55 WeakPolarHBondContact O-CG1 3.49Å; S52-V55 VanDerWaalsContact O-CG2 3.24Å; S52-V55 WeakPolarHBondContact O-CG2 3.27Å; S52-K57 PolarHBondContact O-NZ 2.91Å; S52-D134 WeakPolarHBondContact CB-OD2 3.03Å; S52-D134 VanDerWaalsContact OG-CB 3.25Å; S52-D134 WeakPolarHBondContact OG-CB 2.93Å; S52-D134 PolarHBondContact OG-OD2 2.88Å
53	R	88.8	Confident	92.7	Very high	150 Å²	150	27.4 Å²	27.4	57%	0.566	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	136.7	176.5	-170.8	172	165.8	-142.3	-1.2	110.9	V55 S75 G102	R53-V55 VanDerWaalsContact C-N 3.28Å; R53-V55 PolarHBondContact O-N 2.83Å; R53-S75 PolarHBondContact NE-OG 3Å; R53-S75 PolarHBondContact NH2-OG 3.34Å; R53-G102 WeakPolarHBondContact CB-O 3.29Å; R53-G102 PolarHBondContact N-O 3.26Å; R53-G102 VanDerWaalsContact N-O 3.1Å
54	G	90.1	Very high	93.2	Very high	47 Å²	47	24.7 Å²	24.7	49%	0.485	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	8.7	172.4	0	0	0	0	0	115.7	S52 G56 K158	S52-G54 PolarHBondContact O-N 3.08Å; G54-G56 PolarHBondContact O-N 2.83Å; G54-K158 WeakPolarHBondContact O-CE 2.84Å; G54-K158 PolarHBondContact O-NZ 3.45Å
55	V	94.2	Very high	93.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-73.2	-14.3	172.9	-57.2	0	0	0	0	113.3	S52 R53 K57 V123 D125 T131 N157	S52-V55 WeakPolarHBondContact O-CG1 3.49Å; S52-V55 VanDerWaalsContact O-CG2 3.24Å; S52-V55 WeakPolarHBondContact O-CG2 3.27Å; R53-V55 VanDerWaalsContact C-N 3.28Å; R53-V55 PolarHBondContact O-N 2.83Å; V55-K57 HydrophobicContact CG2-CD 4.25Å; V55-K57 HydrophobicContact CG2-CG 3.57Å; V55-V123 HydrophobicContact CB-CG1 4.2Å; V55-V123 HydrophobicContact CG2-CB 3.91Å; V55-V123 HydrophobicContact CG2-CG1 3.82Å; V55-D125 HydrophobicContact CB-CB 4.34Å; V55-D125 HydrophobicContact CG1-CB 4.19Å; V55-T131 HydrophobicContact CG1-CG2 3.67Å; V55-N157 PolarHBondContact O-ND2 3.16Å
56	G	93.6	Very high	93.1	Very high	13 Å²	13	23.7 Å²	23.7	13%	0.134	13%	0.126	C	C	.	.	S	Bend	trans	97.5	28.3	176.8	0	0	0	0	0	115.8	G54 S59 L60	G54-G56 PolarHBondContact O-N 2.83Å; G56-S59 PolarHBondContact O-N 3.42Å; G56-L60 WeakPolarHBondContact O-CG 3.49Å; G56-L60 PolarHBondContact O-N 2.93Å
57	K	93.9	Very high	92.9	Very high	9 Å²	9	26 Å²	26	4%	0.039	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-53.5	176.7	-57.7	-173.2	-61.2	-72	0	112.8	I49 G51 S52 V55 S59 L60 M61 D99 T100 G102 V123	I49-K57 HydrophobicContact CG2-CB 3.74Å; I49-K57 HydrophobicContact CG2-CD 4.03Å; I49-K57 HydrophobicContact CG2-CG 3.82Å; G51-K57 WeakPolarHBondContact O-CE 3.49Å; G51-K57 PolarHBondContact O-NZ 2.98Å; S52-K57 PolarHBondContact O-NZ 2.91Å; V55-K57 HydrophobicContact CG2-CD 4.25Å; V55-K57 HydrophobicContact CG2-CG 3.57Å; K57-S59 VanDerWaalsContact C-N 3.32Å; K57-S59 PolarHBondContact O-N 3.45Å; K57-L60 PolarHBondContact O-N 2.63Å; K57-M61 PolarHBondContact O-N 2.84Å; K57-D99 WeakPolarHBondContact CB-OD1 3.27Å; K57-T100 WeakPolarHBondContact CE-O 3.4Å; K57-G102 VanDerWaalsContact NZ-CA 3.31Å; K57-V123 HydrophobicContact CG-CB 4.15Å; K57-V123 HydrophobicContact CG-CG2 4.21Å
58	T	92.6	Very high	92.3	Very high	16 Å²	16	29.2 Å²	29.2	10%	0.098	16%	0.16	C	C	.	.	H	α-helix	trans	-56.8	-46.6	175.9	-43.7	0	0	0	0	110.9	L60 M61 E62 T76 D99	T58-L60 PolarHBondContact O-N 2.98Å; T58-M61 WeakPolarHBondContact O-CB 3.3Å; T58-M61 PolarHBondContact O-N 3.03Å; T58-M61 VanDerWaalsContact O-N 3.15Å; T58-E62 HydrophobicContact CG2-CG 4.29Å; T58-E62 WeakPolarHBondContact O-CB 3.43Å; T58-E62 WeakPolarHBondContact O-CG 3.41Å; T58-E62 PolarHBondContact O-N 3.29Å; T58-T76 PolarHBondContact OG1-OG1 2.75Å; T58-D99 WeakPolarHBondContact CA-OD2 3.19Å; T58-D99 VanDerWaalsContact CB-OD2 3.28Å; T58-D99 WeakPolarHBondContact CB-OD2 3.48Å; T58-D99 PolarHBondContact N-OD1 3.04Å; T58-D99 PolarHBondContact OG1-OD2 3.44Å
59	S	94	Very high	91.9	Very high	11 Å²	11	32.4 Å²	32.4	8%	0.077	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-37.7	178.7	-47	0	0	0	0	113	G56 K57 R63	G56-S59 PolarHBondContact O-N 3.42Å; K57-S59 VanDerWaalsContact C-N 3.32Å; K57-S59 PolarHBondContact O-N 3.45Å; S59-R63 WeakPolarHBondContact O-CB 3.35Å; S59-R63 PolarHBondContact O-N 3.2Å
60	L	94.8	Very high	91.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-66.1	-42.5	173.3	-78.8	170.8	0	0	0	111.7	G56 K57 T58 F64 V123 V155 N157 A187 A189 V195 I198	G56-L60 WeakPolarHBondContact O-CG 3.49Å; G56-L60 PolarHBondContact O-N 2.93Å; K57-L60 PolarHBondContact O-N 2.63Å; T58-L60 PolarHBondContact O-N 2.98Å; L60-F64 VanDerWaalsContact O-CB 3.32Å; L60-F64 WeakPolarHBondContact O-CB 3.49Å; L60-F64 PolarHBondContact O-N 2.85Å; L60-V123 HydrophobicContact CD1-CG1 3.91Å; L60-V123 HydrophobicContact CD1-CG2 4.08Å; L60-V155 HydrophobicContact CD1-CG1 4.18Å; L60-N157 HydrophobicContact CD1-CB 4.23Å; L60-A187 HydrophobicContact CD2-CB 4.21Å; L60-A189 HydrophobicContact CD2-CB 3.96Å; L60-A189 HydrophobicContact CG-CB 4.14Å; L60-V195 HydrophobicContact CD2-CG1 4.36Å; L60-V195 HydrophobicContact CD2-CG2 3.92Å; L60-I198 HydrophobicContact CD1-CD1 4.49Å; L60-I198 HydrophobicContact CD2-CD1 4.22Å
61	M	94.8	Very high	90.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.7	-52.7	176.2	-178.6	-177.7	67	0	0	111.3	I49 K57 T58 R63 F64 T65 D80 K82 I97 D99	I49-M61 HydrophobicContact CD1-CB 3.94Å; K57-M61 PolarHBondContact O-N 2.84Å; T58-M61 WeakPolarHBondContact O-CB 3.3Å; T58-M61 PolarHBondContact O-N 3.03Å; T58-M61 VanDerWaalsContact O-N 3.15Å; M61-R63 VanDerWaalsContact C-N 3.32Å; M61-R63 PolarHBondContact O-N 3.33Å; M61-F64 PolarHBondContact O-N 2.68Å; M61-T65 HydrophobicContact CG-CG2 4.43Å; M61-T65 WeakPolarHBondContact O-CG2 3.28Å; M61-T65 PolarHBondContact O-N 2.81Å; M61-T65 PolarHBondContact O-OG1 2.87Å; M61-D80 HydrophobicContact CE-CB 4.09Å; M61-D80 WeakPolarHBondContact CE-OD2 3.25Å; M61-K82 HydrophobicContact CE-CG 3.74Å; M61-K82 HydrophobicContact CG-CB 4.19Å; M61-K82 HydrophobicContact CG-CG 4.08Å; M61-K82 HydrophobicContact SD-CB 3.92Å; M61-K82 HydrophobicContact SD-CG 3.71Å; M61-I97 HydrophobicContact CG-CB 4.42Å; M61-I97 HydrophobicContact CG-CG2 3.86Å; M61-I97 HydrophobicContact SD-CB 4.42Å; M61-I97 HydrophobicContact SD-CG2 4.01Å; M61-D99 HydrophobicContact CE-CB 3.59Å; M61-D99 HydrophobicContact SD-CB 3.61Å
62	E	93.3	Very high	89.1	Confident	44 Å²	44	46.5 Å²	46.5	21%	0.206	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-41.1	180	-72.1	179.4	154.6	0	0	111.6	T58 F64 T65 D66 D67	T58-E62 HydrophobicContact CG2-CG 4.29Å; T58-E62 WeakPolarHBondContact O-CB 3.43Å; T58-E62 WeakPolarHBondContact O-CG 3.41Å; T58-E62 PolarHBondContact O-N 3.29Å; E62-F64 VanDerWaalsContact C-N 3.32Å; E62-F64 PolarHBondContact O-N 3.31Å; E62-T65 PolarHBondContact O-N 3.17Å; E62-D66 WeakPolarHBondContact O-CA 3.46Å; E62-D66 PolarHBondContact O-N 3.02Å; E62-D67 PolarHBondContact O-N 3.45Å
63	R	94.9	Very high	87.8	Confident	38 Å²	38	48.7 Å²	48.7	14%	0.143	27%	0.27	C	S	.	.	H	α-helix	trans	-63.1	-43	175.7	-179.5	62.4	77.5	-175.3	14.3	111	S59 M61 D67 T68 A189 K190 N192 V195	S59-R63 WeakPolarHBondContact O-CB 3.35Å; S59-R63 PolarHBondContact O-N 3.2Å; M61-R63 VanDerWaalsContact C-N 3.32Å; M61-R63 PolarHBondContact O-N 3.33Å; R63-D67 PolarHBondContact NH1-O 2.91Å; R63-D67 IonicContact NH1-OD1 3.96Å; R63-D67 PolarHBondContact NH1-OD1 3.36Å; R63-D67 VanDerWaalsContact O-CA 3.27Å; R63-D67 WeakPolarHBondContact O-CA 3.24Å; R63-D67 PolarHBondContact O-N 2.87Å; R63-T68 VanDerWaalsContact CA-O 3.3Å; R63-T68 WeakPolarHBondContact CA-O 3.21Å; R63-T68 PolarHBondContact N-O 3.33Å; R63-A189 PolarHBondContact NE-O 2.85Å; R63-A189 PolarHBondContact NH2-O 3.45Å; R63-K190 PolarHBondContact NH2-O 3.08Å; R63-N192 WeakPolarHBondContact CD-OD1 3.32Å; R63-N192 HydrophobicContact CG-CB 4.27Å; R63-N192 VanDerWaalsContact CG-OD1 3.24Å; R63-N192 WeakPolarHBondContact CG-OD1 3.44Å; R63-V195 HydrophobicContact CB-CG1 4.07Å; R63-V195 HydrophobicContact CG-CB 4.12Å; R63-V195 HydrophobicContact CG-CG1 3.86Å; R63-V195 HydrophobicContact CG-CG2 3.92Å
64	F	94.8	Very high	86.8	Confident	3 Å²	3	50.4 Å²	50.4	1%	0.013	28%	0.282	C	S	.	.	H	α-helix	trans	-66.5	-44.7	176.8	-179.5	-114.3	0	0	0	112.3	L60 M61 E62 K84 V86 L95 I97 V195 D196 F199	L60-F64 VanDerWaalsContact O-CB 3.32Å; L60-F64 WeakPolarHBondContact O-CB 3.49Å; L60-F64 PolarHBondContact O-N 2.85Å; M61-F64 PolarHBondContact O-N 2.68Å; E62-F64 VanDerWaalsContact C-N 3.32Å; E62-F64 PolarHBondContact O-N 3.31Å; F64-K84 HydrophobicContact CD1-CD 3.87Å; F64-K84 HydrophobicContact CD2-CD 4.4Å; F64-K84 VanDerWaalsContact CD2-NZ 3.32Å; F64-K84 HydrophobicContact CE1-CB 4.07Å; F64-K84 HydrophobicContact CE1-CD 3.57Å; F64-K84 HydrophobicContact CE1-CG 4.08Å; F64-K84 HydrophobicContact CE2-CD 4.13Å; F64-K84 HydrophobicContact CG-CD 4.28Å; F64-K84 HydrophobicContact CZ-CD 3.72Å; F64-K84 HydrophobicContact CZ-CG 4.33Å; F64-K84 WeakPolarHBondContact O-CD 3.48Å; F64-K84 WeakPolarHBondContact O-CE 3.39Å; F64-K84 PolarHBondContact O-NZ 3.39Å; F64-V86 HydrophobicContact CZ-CG1 3.98Å; F64-L95 HydrophobicContact CE1-CD1 3.9Å; F64-L95 HydrophobicContact CZ-CD1 3.94Å; F64-I97 HydrophobicContact CD1-CD1 3.45Å; F64-I97 VanDerWaalsContact CD1-CD1 3.45Å; F64-I97 HydrophobicContact CE1-CD1 3.6Å; F64-V195 HydrophobicContact CB-CG1 3.88Å; F64-D196 WeakPolarHBondContact CD2-OD1 3.18Å; F64-D196 WeakPolarHBondContact CE2-OD1 3.28Å; F64-F199 HydrophobicContact CB-CD2 3.73Å; F64-F199 HydrophobicContact CB-CE2 3.51Å; F64-F199 HydrophobicContact CB-CZ 4.3Å; F64-F199 HydrophobicContact CD1-CB 4.4Å; F64-F199 HydrophobicContact CD1-CD1 4.25Å; F64-F199 AromaticContact CD1-CD2 3.73Å; F64-F199 HydrophobicContact CD1-CD2 3.73Å; F64-F199 HydrophobicContact CD1-CE1 4.48Å; F64-F199 HydrophobicContact CD1-CE2 4.02Å; F64-F199 AromaticContact CD1-CG 3.88Å; F64-F199 HydrophobicContact CD1-CG 3.88Å; F64-F199 HydrophobicContact CD1-CZ 4.39Å; F64-F199 HydrophobicContact CD2-CB 4.07Å; F64-F199 AromaticContact CD2-CD2 3.43Å; F64-F199 HydrophobicContact CD2-CD2 3.43Å; F64-F199 VanDerWaalsContact CD2-CD2 3.43Å; F64-F199 HydrophobicContact CD2-CE2 4.15Å; F64-F199 AromaticContact CD2-CG 3.98Å; F64-F199 HydrophobicContact CD2-CG 3.98Å; F64-F199 HydrophobicContact CE1-CB 3.97Å; F64-F199 HydrophobicContact CE1-CD1 4.26Å; F64-F199 HydrophobicContact CE1-CD2 4.17Å; F64-F199 AromaticContact CE1-CG 3.88Å; F64-F199 HydrophobicContact CE1-CG 3.88Å; F64-F199 HydrophobicContact CE2-CB 3.6Å; F64-F199 AromaticContact CE2-CD2 3.91Å; F64-F199 HydrophobicContact CE2-CD2 3.91Å; F64-F199 AromaticContact CE2-CG 3.99Å; F64-F199 HydrophobicContact CE2-CG 3.99Å; F64-F199 HydrophobicContact CG-CB 4.45Å; F64-F199 AromaticContact CG-CD2 3.33Å; F64-F199 HydrophobicContact CG-CD2 3.33Å; F64-F199 AromaticContact CG-CE2 3.64Å; F64-F199 HydrophobicContact CG-CE2 3.64Å; F64-F199 AromaticContact CG-CG 3.92Å; F64-F199 HydrophobicContact CG-CG 3.92Å; F64-F199 HydrophobicContact CG-CZ 4.4Å; F64-F199 HydrophobicContact CZ-CB 3.54Å; F64-F199 HydrophobicContact CZ-CD2 4.25Å; F64-F199 AromaticContact CZ-CG 3.94Å; F64-F199 HydrophobicContact CZ-CG 3.94Å
65	T	92.4	Very high	85.9	Confident	26 Å²	26	51.3 Å²	51.3	16%	0.16	28%	0.281	C	S	.	.	H	α-helix	trans	-84.8	-39.2	-171.6	66.5	0	0	0	0	114	M61 E62 K82 K84 I97	M61-T65 HydrophobicContact CG-CG2 4.43Å; M61-T65 WeakPolarHBondContact O-CG2 3.28Å; M61-T65 PolarHBondContact O-N 2.81Å; M61-T65 PolarHBondContact O-OG1 2.87Å; E62-T65 PolarHBondContact O-N 3.17Å; T65-K82 HydrophobicContact CG2-CB 3.73Å; T65-K82 HydrophobicContact CG2-CG 4.38Å; T65-K84 HydrophobicContact CG2-CB 4.07Å; T65-I97 HydrophobicContact CG2-CD1 3.97Å
66	D	89.4	Confident	84.6	Confident	78 Å²	78	53.3 Å²	53.3	42%	0.417	29%	0.293	S	S	.	.	H	α-helix	trans	-118.2	-3.6	-166.7	-56.9	-4.8	0	0	0	112	E62 T68 K82	E62-D66 WeakPolarHBondContact O-CA 3.46Å; E62-D66 PolarHBondContact O-N 3.02Å; D66-T68 HydrophobicContact CB-CG2 4.21Å; D66-T68 WeakPolarHBondContact O-CG2 3.44Å; D66-T68 PolarHBondContact O-N 3.36Å; D66-K82 IonicContact OD1-NZ 3.15Å; D66-K82 IonicContact OD2-NZ 2.93Å; D66-K82 PolarHBondContact OD2-NZ 3.33Å
67	D	88.9	Confident	83.4	Confident	101 Å²	101	59.5 Å²	59.5	54%	0.54	33%	0.328	S	S	.	.	S	Bend	trans	52.9	35.8	-171.6	-164.9	22.1	0	0	0	113	E62 R63 N192	E62-D67 PolarHBondContact O-N 3.45Å; R63-D67 PolarHBondContact NH1-O 2.91Å; R63-D67 IonicContact NH1-OD1 3.96Å; R63-D67 PolarHBondContact NH1-OD1 3.36Å; R63-D67 VanDerWaalsContact O-CA 3.27Å; R63-D67 WeakPolarHBondContact O-CA 3.24Å; R63-D67 PolarHBondContact O-N 2.87Å; D67-N192 PolarHBondContact OD1-ND2 3.1Å
68	T	83.1	Confident	82.3	Confident	67 Å²	67	61.1 Å²	61.1	41%	0.411	35%	0.347	S	S	.	.			trans	-115.5	153.8	-179.7	58.2	0	0	0	0	111.8	R63 D66	R63-T68 VanDerWaalsContact CA-O 3.3Å; R63-T68 WeakPolarHBondContact CA-O 3.21Å; R63-T68 PolarHBondContact N-O 3.33Å; D66-T68 HydrophobicContact CB-CG2 4.21Å; D66-T68 WeakPolarHBondContact O-CG2 3.44Å; D66-T68 PolarHBondContact O-N 3.36Å
69	F	84.5	Confident	81.7	Confident	69 Å²	69	62.6 Å²	62.6	30%	0.303	36%	0.356	S	S	.	.			trans	-143.5	134.4	171.1	175	-96.4	0	0	0	110	E71 A189 K190	F69-E71 HydrophobicContact CE1-CB 3.99Å; F69-E71 HydrophobicContact CE1-CG 4.38Å; F69-A189 HydrophobicContact CD2-CB 4.21Å; F69-A189 HydrophobicContact CE2-CB 4.26Å; F69-K190 HydrophobicContact CD1-CG 4.35Å; F69-K190 HydrophobicContact CE1-CB 4.05Å; F69-K190 HydrophobicContact CE1-CD 4.31Å; F69-K190 HydrophobicContact CE1-CG 3.77Å; F69-K190 HydrophobicContact CE2-CB 3.97Å; F69-K190 HydrophobicContact CZ-CB 3.71Å; F69-K190 HydrophobicContact CZ-CD 4.34Å; F69-K190 HydrophobicContact CZ-CG 3.91Å
70	C	79.5	Confident	81.3	Confident	52 Å²	52	65 Å²	65	35%	0.351	37%	0.368	S	S	.	.			trans	-120.7	113.1	177.8	-175.7	0	0	0	0	109.1	S72 C73	C70-S72 VanDerWaalsContact C-N 3.25Å; C70-S72 PolarHBondContact O-N 2.84Å; C70-S72 PolarHBondContact SG-OG 2.79Å; C70-C73 WeakPolarHBondContact O-CB 3.11Å; C70-C73 PolarHBondContact O-N 3.41Å
71	E	72.9	Confident	81	Confident	147 Å²	147	68.3 Å²	68.3	69%	0.687	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-31.3	178.5	-160.7	160.3	-139.3	0	0	111.2	F69 C73 K190	F69-E71 HydrophobicContact CE1-CB 3.99Å; F69-E71 HydrophobicContact CE1-CG 4.38Å; E71-C73 PolarHBondContact O-N 2.93Å; E71-C73 VanDerWaalsContact O-N 3.14Å; E71-K190 IonicContact OE1-NZ 2.68Å; E71-K190 PolarHBondContact OE1-NZ 3.27Å
72	S	69.1	Low	80.8	Confident	97 Å²	97	71 Å²	71	68%	0.678	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	42.2	172.1	63	0	0	0	0	112.8	C70 K74	C70-S72 VanDerWaalsContact C-N 3.25Å; C70-S72 PolarHBondContact O-N 2.84Å; C70-S72 PolarHBondContact SG-OG 2.79Å; S72-K74 PolarHBondContact O-N 2.72Å
73	C	64.3	Low	80.9	Confident	53 Å²	53	72 Å²	72	36%	0.358	40%	0.4	S	S	.	.			trans	-59.8	112.7	-179.7	-160.3	0	0	0	0	109.6	C70 E71	C70-C73 WeakPolarHBondContact O-CB 3.11Å; C70-C73 PolarHBondContact O-N 3.41Å; E71-C73 PolarHBondContact O-N 2.93Å; E71-C73 VanDerWaalsContact O-N 3.14Å
74	K	67	Low	80.8	Confident	187 Å²	187	72.7 Å²	72.7	81%	0.813	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-65	152.5	175.6	-66.6	179	-177.3	173.7	0	108.7	S72 T76	S72-K74 PolarHBondContact O-N 2.72Å; K74-T76 PolarHBondContact O-N 3.21Å
75	S	72.9	Confident	80.7	Confident	66 Å²	66	76.5 Å²	76.5	46%	0.462	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-60.4	125.8	174.9	-67.1	0	0	0	0	109.8	R53 V77	R53-S75 PolarHBondContact NE-OG 3Å; R53-S75 PolarHBondContact NH2-OG 3.34Å; S75-V77 PolarHBondContact O-N 3.03Å
76	T	66.8	Low	80.7	Confident	42 Å²	42	76.2 Å²	76.2	26%	0.258	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-60.4	121.9	176.1	-37.4	0	0	0	0	109.3	T58 K74 A101	T58-T76 PolarHBondContact OG1-OG1 2.75Å; K74-T76 PolarHBondContact O-N 3.21Å; T76-A101 VanDerWaalsContact O-CB 3.27Å; T76-A101 WeakPolarHBondContact O-CB 3.28Å
77	V	67.7	Low	80.8	Confident	143 Å²	143	78.9 Å²	78.9	87%	0.867	44%	0.436	S	S	*	.			trans	-100	112.3	173.4	-178.8	0	0	0	0	107.1	S75	S75-V77 PolarHBondContact O-N 3.03Å
78	G	70.9	Confident	80.8	Confident	43 Å²	43	75.7 Å²	75.7	44%	0.443	42%	0.419	S	S	.	.	S	Bend	trans	84.4	-140.7	-179.8	0	0	0	0	0	113.8	A101	G78-A101 WeakPolarHBondContact O-CB 3.43Å; G78-A101 PolarHBondContact O-N 2.8Å
79	V	79.6	Confident	81	Confident	47 Å²	47	78 Å²	78	29%	0.285	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.2	-178.2	-178.9	0	0	0	0	108.1	W98 D99 I109 Y113	V79-W98 HydrophobicContact CG1-CB 4.39Å; V79-W98 HydrophobicContact CG1-CE3 3.79Å; V79-D99 CarbonylContact C-O 3.57Å; V79-D99 VanDerWaalsContact CA-O 3.28Å; V79-D99 WeakPolarHBondContact CA-O 3.38Å; V79-D99 WeakPolarHBondContact CG1-O 3.45Å; V79-I109 HydrophobicContact CG2-CG2 4.49Å; V79-Y113 HydrophobicContact CB-CE2 4.49Å; V79-Y113 HydrophobicContact CG1-CE1 4.47Å; V79-Y113 HydrophobicContact CG1-CE2 4.36Å; V79-Y113 HydrophobicContact CG2-CE2 3.89Å
80	D	85.7	Confident	81	Confident	61 Å²	61	77.9 Å²	77.9	33%	0.326	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	155.3	174	-165.9	15.6	0	0	0	110.6	M61 W98 D99	M61-D80 HydrophobicContact CE-CB 4.09Å; M61-D80 WeakPolarHBondContact CE-OD2 3.25Å; D80-W98 WeakPolarHBondContact O-CA 3Å; D80-D99 HydrophobicContact CB-CB 4.35Å; D80-D99 PolarHBondContact N-O 2.92Å; D80-D99 PolarHBondContact O-N 3.17Å
81	F	88.4	Confident	81.4	Confident	71 Å²	71	77.3 Å²	77.3	31%	0.311	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	123.7	-170.7	174.1	-101.5	0	0	0	111.7	I83 Q96 I97 W98	F81-I83 HydrophobicContact CD1-CG1 4.45Å; F81-I83 HydrophobicContact CE1-CD1 3.6Å; F81-I83 HydrophobicContact CE1-CG1 3.47Å; F81-I83 VanDerWaalsContact CE1-CG1 3.47Å; F81-I83 HydrophobicContact CE2-CG1 4.39Å; F81-I83 HydrophobicContact CZ-CD1 3.62Å; F81-I83 HydrophobicContact CZ-CG1 3.43Å; F81-I83 VanDerWaalsContact CZ-CG1 3.43Å; F81-Q96 HydrophobicContact CE2-CB 3.76Å; F81-Q96 HydrophobicContact CE2-CG 3.89Å; F81-Q96 HydrophobicContact CZ-CB 4.21Å; F81-Q96 HydrophobicContact CZ-CG 3.83Å; F81-I97 WeakPolarHBondContact CA-O 3.21Å; F81-W98 HydrophobicContact CB-CE3 4.06Å; F81-W98 HydrophobicContact CB-CZ3 4.06Å; F81-W98 AromaticContact CD2-CD2 3.65Å; F81-W98 HydrophobicContact CD2-CD2 3.65Å; F81-W98 AromaticContact CD2-CE2 3.6Å; F81-W98 AromaticContact CD2-CE3 3.76Å; F81-W98 HydrophobicContact CD2-CE3 3.76Å; F81-W98 HydrophobicContact CD2-CG 4.29Å; F81-W98 AromaticContact CD2-CH2 3.87Å; F81-W98 HydrophobicContact CD2-CH2 3.87Å; F81-W98 AromaticContact CD2-CZ2 3.75Å; F81-W98 HydrophobicContact CD2-CZ2 3.75Å; F81-W98 AromaticContact CD2-CZ3 3.86Å; F81-W98 HydrophobicContact CD2-CZ3 3.86Å; F81-W98 HydrophobicContact CE2-CD2 4.29Å; F81-W98 AromaticContact CE2-CE2 3.78Å; F81-W98 HydrophobicContact CE2-CH2 4.25Å; F81-W98 AromaticContact CE2-CZ2 3.79Å; F81-W98 HydrophobicContact CE2-CZ2 3.79Å; F81-W98 HydrophobicContact CG-CE3 4.31Å; F81-W98 HydrophobicContact CG-CH2 4.39Å; F81-W98 HydrophobicContact CG-CZ3 4.19Å
82	K	92.1	Very high	82.2	Confident	56 Å²	56	73 Å²	73	24%	0.243	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	153.7	175.7	-67.2	-77.8	-175.9	159.3	0	111.6	M61 T65 D66 I97	M61-K82 HydrophobicContact CE-CG 3.74Å; M61-K82 HydrophobicContact CG-CB 4.19Å; M61-K82 HydrophobicContact CG-CG 4.08Å; M61-K82 HydrophobicContact SD-CB 3.92Å; M61-K82 HydrophobicContact SD-CG 3.71Å; T65-K82 HydrophobicContact CG2-CB 3.73Å; T65-K82 HydrophobicContact CG2-CG 4.38Å; D66-K82 IonicContact OD1-NZ 3.15Å; D66-K82 IonicContact OD2-NZ 2.93Å; D66-K82 PolarHBondContact OD2-NZ 3.33Å; K82-I97 PolarHBondContact N-O 3.46Å; K82-I97 PolarHBondContact O-N 3.5Å
83	I	93.4	Very high	83.4	Confident	66 Å²	66	68.4 Å²	68.4	34%	0.338	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124.6	175	-58.4	-174.3	0	0	0	109	F81 R94 L95 Q96	F81-I83 HydrophobicContact CD1-CG1 4.45Å; F81-I83 HydrophobicContact CE1-CD1 3.6Å; F81-I83 HydrophobicContact CE1-CG1 3.47Å; F81-I83 VanDerWaalsContact CE1-CG1 3.47Å; F81-I83 HydrophobicContact CE2-CG1 4.39Å; F81-I83 HydrophobicContact CZ-CD1 3.62Å; F81-I83 HydrophobicContact CZ-CG1 3.43Å; F81-I83 VanDerWaalsContact CZ-CG1 3.43Å; I83-R94 HydrophobicContact CG2-CG 3.62Å; I83-L95 VanDerWaalsContact CA-O 3.28Å; I83-L95 WeakPolarHBondContact CA-O 3.37Å; I83-Q96 HydrophobicContact CG1-CG 4.45Å
84	K	93.6	Very high	84.8	Confident	51 Å²	51	70.9 Å²	70.9	22%	0.222	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.2	169.1	178.1	162.1	165.8	-169.6	0	109	F64 T65 V86 L95 D196	F64-K84 HydrophobicContact CD1-CD 3.87Å; F64-K84 HydrophobicContact CD2-CD 4.4Å; F64-K84 VanDerWaalsContact CD2-NZ 3.32Å; F64-K84 HydrophobicContact CE1-CB 4.07Å; F64-K84 HydrophobicContact CE1-CD 3.57Å; F64-K84 HydrophobicContact CE1-CG 4.08Å; F64-K84 HydrophobicContact CE2-CD 4.13Å; F64-K84 HydrophobicContact CG-CD 4.28Å; F64-K84 HydrophobicContact CZ-CD 3.72Å; F64-K84 HydrophobicContact CZ-CG 4.33Å; F64-K84 WeakPolarHBondContact O-CD 3.48Å; F64-K84 WeakPolarHBondContact O-CE 3.39Å; F64-K84 PolarHBondContact O-NZ 3.39Å; T65-K84 HydrophobicContact CG2-CB 4.07Å; K84-V86 HydrophobicContact CG-CG1 4.16Å; K84-L95 PolarHBondContact N-O 2.86Å; K84-L95 VanDerWaalsContact N-O 3.17Å; K84-L95 WeakPolarHBondContact O-CA 3.46Å; K84-L95 VanDerWaalsContact O-CB 3.3Å; K84-L95 WeakPolarHBondContact O-CB 3.32Å; K84-L95 PolarHBondContact O-N 3.31Å; K84-D196 IonicContact NZ-OD1 3.45Å; K84-D196 PolarHBondContact NZ-OD1 3.29Å
85	T	93.5	Very high	86.1	Confident	84 Å²	84	62 Å²	62	52%	0.515	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	124.5	171.4	-64.3	0	0	0	0	108.7	K92 I93	T85-K92 HydrophobicContact CG2-CB 4.45Å; T85-I93 CarbonylContact C-O 3.54Å; T85-I93 VanDerWaalsContact CA-O 3.29Å; T85-I93 WeakPolarHBondContact CA-O 3.48Å
86	V	92.4	Very high	87.2	Confident	20 Å²	20	59.7 Å²	59.7	12%	0.121	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	153.3	174.8	-59.3	0	0	0	0	109.7	F64 K84 I93 L95	F64-V86 HydrophobicContact CZ-CG1 3.98Å; K84-V86 HydrophobicContact CG-CG1 4.16Å; V86-I93 HydrophobicContact CG2-CB 4.04Å; V86-I93 PolarHBondContact N-O 2.91Å; V86-I93 PolarHBondContact O-N 3.36Å; V86-L95 HydrophobicContact CG1-CD1 3.82Å; V86-L95 HydrophobicContact CG2-CD1 3.83Å; V86-L95 HydrophobicContact CG2-CD2 4.36Å; V86-L95 HydrophobicContact CG2-CG 4.02Å
87	E	91.2	Very high	88.5	Confident	134 Å²	134	57.7 Å²	57.7	63%	0.626	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	116.2	172.7	-169.1	168.8	148.7	0	0	108.6	K91	E87-K91 WeakPolarHBondContact CA-O 3.4Å
88	L	88.9	Confident	89.6	Confident	34 Å²	34	53.5 Å²	53.5	18%	0.178	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	136.8	-177.9	-165.9	67.2	0	0	0	109.4	G90 K91 I93 V200 V203 D204 L207	L88-G90 PolarHBondContact O-N 3.46Å; L88-K91 PolarHBondContact N-O 3.35Å; L88-K91 WeakPolarHBondContact O-CB 3.48Å; L88-K91 PolarHBondContact O-N 3.28Å; L88-I93 HydrophobicContact CB-CD1 3.99Å; L88-V200 HydrophobicContact CD1-CG1 3.94Å; L88-V200 HydrophobicContact CD2-CG1 4.44Å; L88-V203 HydrophobicContact CD2-CB 4.28Å; L88-V203 HydrophobicContact CD2-CG1 3.86Å; L88-D204 HydrophobicContact CD2-CB 3.9Å; L88-L207 HydrophobicContact CB-CD1 4.4Å; L88-L207 HydrophobicContact CD2-CD1 3.95Å; L88-L207 HydrophobicContact CG-CD1 4.38Å
89	R	86.4	Confident	90.5	Very high	116 Å²	116	51.4 Å²	51.4	44%	0.438	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	35.8	-174.8	-58	178.7	-178.1	-163.3	-5.5	113.1	K91 D204 S208	R89-K91 PolarHBondContact O-N 2.96Å; R89-D204 IonicContact CZ-OD1 2.75Å; R89-D204 IonicContact CZ-OD2 2.84Å; R89-D204 IonicContact NE-OD1 2.75Å; R89-D204 PolarHBondContact NE-OD1 2.96Å; R89-D204 PolarHBondContact NH2-O 3.08Å; R89-D204 IonicContact NH2-OD1 2.71Å; R89-D204 PolarHBondContact NH2-OD1 3.41Å; R89-D204 IonicContact NH2-OD2 2.6Å; R89-D204 PolarHBondContact NH2-OD2 2.99Å; R89-S208 PolarHBondContact NH1-OG 2.96Å; R89-S208 PolarHBondContact NH2-OG 3.08Å
90	G	85.6	Confident	90.5	Very high	65 Å²	65	49.5 Å²	49.5	67%	0.67	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.1	10.9	-177.7	0	0	0	0	0	115.2	L88	L88-G90 PolarHBondContact O-N 3.46Å
91	K	86.8	Confident	89.7	Confident	41 Å²	41	47.4 Å²	47.4	18%	0.178	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	140.5	179.5	-68.6	162.3	178.4	-79.1	0	110.2	D42 F43 E87 L88 R89 I93	D42-K91 HydrophobicContact CB-CB 4.46Å; F43-K91 HydrophobicContact CD2-CB 4.22Å; F43-K91 HydrophobicContact CD2-CD 4.09Å; F43-K91 HydrophobicContact CD2-CG 4.41Å; F43-K91 HydrophobicContact CE2-CB 4.31Å; F43-K91 HydrophobicContact CE2-CD 3.53Å; F43-K91 HydrophobicContact CE2-CG 3.99Å; F43-K91 HydrophobicContact CZ-CD 4.37Å; E87-K91 WeakPolarHBondContact CA-O 3.4Å; L88-K91 PolarHBondContact N-O 3.35Å; L88-K91 WeakPolarHBondContact O-CB 3.48Å; L88-K91 PolarHBondContact O-N 3.28Å; R89-K91 PolarHBondContact O-N 2.96Å; K91-I93 HydrophobicContact CB-CG1 4.43Å
92	K	90.4	Very high	88.3	Confident	56 Å²	56	44.6 Å²	44.6	24%	0.243	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.4	172.8	-67.5	-170.9	176.4	-159.6	0	110.2	A41 D42 F43 T85	A41-K92 CarbonylContact C-O 3.58Å; D42-K92 PolarHBondContact N-O 3.11Å; D42-K92 PolarHBondContact OD2-N 3.48Å; F43-K92 PolarHBondContact N-O 3.28Å; T85-K92 HydrophobicContact CG2-CB 4.45Å
93	I	93.2	Very high	86.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.2	-172.7	-53.9	166.5	0	0	0	108.2	F43 L45 T85 V86 L88 K91 L95 V203 L207	F43-I93 HydrophobicContact CB-CG1 4.39Å; F43-I93 HydrophobicContact CB-CG2 4.35Å; F43-I93 WeakPolarHBondContact O-CA 3.3Å; L45-I93 HydrophobicContact CB-CG2 4.38Å; L45-I93 HydrophobicContact CD1-CG2 3.66Å; L45-I93 HydrophobicContact CG-CG2 3.74Å; T85-I93 CarbonylContact C-O 3.54Å; T85-I93 VanDerWaalsContact CA-O 3.29Å; T85-I93 WeakPolarHBondContact CA-O 3.48Å; V86-I93 HydrophobicContact CG2-CB 4.04Å; V86-I93 PolarHBondContact N-O 2.91Å; V86-I93 PolarHBondContact O-N 3.36Å; L88-I93 HydrophobicContact CB-CD1 3.99Å; K91-I93 HydrophobicContact CB-CG1 4.43Å; I93-L95 HydrophobicContact CG2-CD2 3.7Å; I93-L95 PolarHBondContact O-N 3.37Å; I93-V203 HydrophobicContact CD1-CG1 3.64Å; I93-V203 HydrophobicContact CG2-CG1 4.45Å; I93-L207 HydrophobicContact CD1-CD1 3.42Å; I93-L207 VanDerWaalsContact CD1-CD1 3.42Å; I93-L207 HydrophobicContact CD1-CD2 4.01Å; I93-L207 HydrophobicContact CD1-CG 4.12Å
94	R	94.3	Very high	84.9	Confident	106 Å²	106	46.1 Å²	46.1	40%	0.4	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	103.9	174.8	-171.1	177.2	-179	-155.5	1.6	108.9	A41 F43 K44 L45 I83	A41-R94 HydrophobicContact CB-CB 3.76Å; F43-R94 PolarHBondContact O-N 2.73Å; K44-R94 WeakPolarHBondContact CA-O 3.09Å; L45-R94 PolarHBondContact N-O 3.19Å; I83-R94 HydrophobicContact CG2-CG 3.62Å
95	L	94.9	Very high	83.1	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	129.3	175.1	-52.5	-179.7	0	0	0	109.4	L45 I47 F64 I83 K84 V86 I93 I97 V203	L45-L95 HydrophobicContact CB-CD2 4.02Å; L45-L95 HydrophobicContact CD1-CD2 4.21Å; I47-L95 HydrophobicContact CD1-CD1 4.43Å; I47-L95 HydrophobicContact CD1-CD2 4.15Å; F64-L95 HydrophobicContact CE1-CD1 3.9Å; F64-L95 HydrophobicContact CZ-CD1 3.94Å; I83-L95 VanDerWaalsContact CA-O 3.28Å; I83-L95 WeakPolarHBondContact CA-O 3.37Å; K84-L95 PolarHBondContact N-O 2.86Å; K84-L95 VanDerWaalsContact N-O 3.17Å; K84-L95 WeakPolarHBondContact O-CA 3.46Å; K84-L95 VanDerWaalsContact O-CB 3.3Å; K84-L95 WeakPolarHBondContact O-CB 3.32Å; K84-L95 PolarHBondContact O-N 3.31Å; V86-L95 HydrophobicContact CG1-CD1 3.82Å; V86-L95 HydrophobicContact CG2-CD1 3.83Å; V86-L95 HydrophobicContact CG2-CD2 4.36Å; V86-L95 HydrophobicContact CG2-CG 4.02Å; I93-L95 HydrophobicContact CG2-CD2 3.7Å; I93-L95 PolarHBondContact O-N 3.37Å; L95-I97 HydrophobicContact CB-CG1 4.27Å; L95-V203 HydrophobicContact CD1-CG2 3.94Å; L95-V203 HydrophobicContact CD2-CG1 4.49Å; L95-V203 HydrophobicContact CD2-CG2 3.47Å; L95-V203 VanDerWaalsContact CD2-CG2 3.47Å; L95-V203 HydrophobicContact CG-CG2 4.36Å
96	Q	94.8	Very high	81.1	Confident	18 Å²	18	54.7 Å²	54.7	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	106.5	171.4	-79.3	-161.2	-28.8	0	0	107.7	K44 L45 Q46 I47 F81 I83	K44-Q96 VanDerWaalsContact CE-NE2 3.32Å; L45-Q96 PolarHBondContact O-N 3.41Å; Q46-Q96 WeakPolarHBondContact CA-O 3.45Å; Q46-Q96 HydrophobicContact CG-CB 4.11Å; I47-Q96 PolarHBondContact N-O 2.84Å; F81-Q96 HydrophobicContact CE2-CB 3.76Å; F81-Q96 HydrophobicContact CE2-CG 3.89Å; F81-Q96 HydrophobicContact CZ-CB 4.21Å; F81-Q96 HydrophobicContact CZ-CG 3.83Å; I83-Q96 HydrophobicContact CG1-CG 4.45Å
97	I	94.3	Very high	79.2	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	122.3	-172.4	-53	172	0	0	0	108.1	I47 I49 M61 F64 T65 F81 K82 L95 F199	I47-I97 WeakPolarHBondContact O-CA 3.43Å; I49-I97 HydrophobicContact CD1-CG2 3.71Å; I49-I97 HydrophobicContact CG1-CG2 4.01Å; M61-I97 HydrophobicContact CG-CB 4.42Å; M61-I97 HydrophobicContact CG-CG2 3.86Å; M61-I97 HydrophobicContact SD-CB 4.42Å; M61-I97 HydrophobicContact SD-CG2 4.01Å; F64-I97 HydrophobicContact CD1-CD1 3.45Å; F64-I97 VanDerWaalsContact CD1-CD1 3.45Å; F64-I97 HydrophobicContact CE1-CD1 3.6Å; T65-I97 HydrophobicContact CG2-CD1 3.97Å; F81-I97 WeakPolarHBondContact CA-O 3.21Å; K82-I97 PolarHBondContact N-O 3.46Å; K82-I97 PolarHBondContact O-N 3.5Å; L95-I97 HydrophobicContact CB-CG1 4.27Å; I97-F199 HydrophobicContact CD1-CD1 4.39Å; I97-F199 HydrophobicContact CD1-CE1 4.18Å; I97-F199 HydrophobicContact CG2-CE1 4.35Å
98	W	91.8	Very high	77.3	Confident	54 Å²	54	55.8 Å²	55.8	21%	0.205	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.5	177.4	-59.3	89.1	0	0	0	109.2	I47 I48 I49 V79 D80 F81 Y113	I47-W98 PolarHBondContact O-N 3.49Å; I48-W98 HydrophobicContact CG2-CB 4.04Å; I48-W98 HydrophobicContact CG2-CG 4.33Å; I49-W98 PolarHBondContact N-O 2.97Å; V79-W98 HydrophobicContact CG1-CB 4.39Å; V79-W98 HydrophobicContact CG1-CE3 3.79Å; D80-W98 WeakPolarHBondContact O-CA 3Å; F81-W98 HydrophobicContact CB-CE3 4.06Å; F81-W98 HydrophobicContact CB-CZ3 4.06Å; F81-W98 AromaticContact CD2-CD2 3.65Å; F81-W98 HydrophobicContact CD2-CD2 3.65Å; F81-W98 AromaticContact CD2-CE2 3.6Å; F81-W98 AromaticContact CD2-CE3 3.76Å; F81-W98 HydrophobicContact CD2-CE3 3.76Å; F81-W98 HydrophobicContact CD2-CG 4.29Å; F81-W98 AromaticContact CD2-CH2 3.87Å; F81-W98 HydrophobicContact CD2-CH2 3.87Å; F81-W98 AromaticContact CD2-CZ2 3.75Å; F81-W98 HydrophobicContact CD2-CZ2 3.75Å; F81-W98 AromaticContact CD2-CZ3 3.86Å; F81-W98 HydrophobicContact CD2-CZ3 3.86Å; F81-W98 HydrophobicContact CE2-CD2 4.29Å; F81-W98 AromaticContact CE2-CE2 3.78Å; F81-W98 HydrophobicContact CE2-CH2 4.25Å; F81-W98 AromaticContact CE2-CZ2 3.79Å; F81-W98 HydrophobicContact CE2-CZ2 3.79Å; F81-W98 HydrophobicContact CG-CE3 4.31Å; F81-W98 HydrophobicContact CG-CH2 4.39Å; F81-W98 HydrophobicContact CG-CZ3 4.19Å; W98-Y113 AromaticContact CD2-CD1 3.7Å; W98-Y113 HydrophobicContact CD2-CD1 3.7Å; W98-Y113 AromaticContact CD2-CE1 3.85Å; W98-Y113 HydrophobicContact CD2-CE1 3.85Å; W98-Y113 AromaticContact CE3-CD1 3.72Å; W98-Y113 HydrophobicContact CE3-CD1 3.72Å; W98-Y113 AromaticContact CE3-CE1 3.37Å; W98-Y113 HydrophobicContact CE3-CE1 3.37Å; W98-Y113 HydrophobicContact CG-CD1 4.19Å; W98-Y113 HydrophobicContact CH2-CD1 4.38Å; W98-Y113 AromaticContact CH2-CE1 3.78Å; W98-Y113 HydrophobicContact CH2-CE1 3.78Å; W98-Y113 HydrophobicContact CZ2-CD1 4.37Å; W98-Y113 HydrophobicContact CZ2-CE1 4.21Å; W98-Y113 HydrophobicContact CZ3-CD1 4.08Å; W98-Y113 AromaticContact CZ3-CE1 3.34Å; W98-Y113 HydrophobicContact CZ3-CE1 3.34Å
99	D	88.4	Confident	75.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	119.6	171	176.9	44.8	0	0	0	109.5	K57 T58 M61 V79 D80	K57-D99 WeakPolarHBondContact CB-OD1 3.27Å; T58-D99 WeakPolarHBondContact CA-OD2 3.19Å; T58-D99 VanDerWaalsContact CB-OD2 3.28Å; T58-D99 WeakPolarHBondContact CB-OD2 3.48Å; T58-D99 PolarHBondContact N-OD1 3.04Å; T58-D99 PolarHBondContact OG1-OD2 3.44Å; M61-D99 HydrophobicContact CE-CB 3.59Å; M61-D99 HydrophobicContact SD-CB 3.61Å; V79-D99 CarbonylContact C-O 3.57Å; V79-D99 VanDerWaalsContact CA-O 3.28Å; V79-D99 WeakPolarHBondContact CA-O 3.38Å; V79-D99 WeakPolarHBondContact CG1-O 3.45Å; D80-D99 HydrophobicContact CB-CB 4.35Å; D80-D99 PolarHBondContact N-O 2.92Å; D80-D99 PolarHBondContact O-N 3.17Å
100	T	79.5	Confident	74.9	Confident	6 Å²	6	53.8 Å²	53.8	4%	0.037	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.3	179.6	61.9	0	0	0	0	110.3	I49 K57 G102 T110	I49-T100 PolarHBondContact O-N 3.18Å; I49-T100 PolarHBondContact O-OG1 2.81Å; K57-T100 WeakPolarHBondContact CE-O 3.4Å; T100-G102 PolarHBondContact O-N 2.81Å; T100-T110 HydrophobicContact CG2-CG2 4.35Å
101	A	70	Confident	74.3	Confident	17 Å²	17	51.6 Å²	51.6	14%	0.14	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-56.7	127.7	167.8	0	0	0	0	0	109.6	T76 G78 Q103	T76-A101 VanDerWaalsContact O-CB 3.27Å; T76-A101 WeakPolarHBondContact O-CB 3.28Å; G78-A101 WeakPolarHBondContact O-CB 3.43Å; G78-A101 PolarHBondContact O-N 2.8Å; A101-Q103 PolarHBondContact O-N 2.85Å
102	G	58.5	Low	73.9	Confident	12 Å²	12	52.6 Å²	52.6	12%	0.124	26%	0.263	C	S	.	.	S	Bend	trans	-72.9	25.1	175.5	0	0	0	0	0	114	G51 R53 K57 T100	G51-G102 WeakPolarHBondContact O-CA 3.5Å; R53-G102 WeakPolarHBondContact CB-O 3.29Å; R53-G102 PolarHBondContact N-O 3.26Å; R53-G102 VanDerWaalsContact N-O 3.1Å; K57-G102 VanDerWaalsContact NZ-CA 3.31Å; T100-G102 PolarHBondContact O-N 2.81Å
103	Q	57.2	Low	73.5	Confident	90 Å²	90	52.7 Å²	52.7	42%	0.421	26%	0.263	S	S	.	.			trans	-127	66.6	173.3	-160.9	-172.1	59.1	0	0	107.4	A101 R105	A101-Q103 PolarHBondContact O-N 2.85Å; Q103-R105 HydrophobicContact CG-CG 4.4Å; Q103-R105 PolarHBondContact O-N 2.6Å
104	E	56.8	Low	73.3	Confident	65 Å²	65	52.8 Å²	52.8	30%	0.304	26%	0.263	S	S	.	.			trans	-71.9	34	-172.9	64.1	-73.3	168.1	0	0	113.9	F106 N107 W138	E104-F106 PolarHBondContact O-N 2.96Å; E104-N107 PolarHBondContact O-OD1 3.37Å; E104-W138 HydrophobicContact CB-CH2 4.24Å; E104-W138 HydrophobicContact CB-CZ3 4.5Å; E104-W138 HydrophobicContact CG-CH2 3.7Å; E104-W138 HydrophobicContact CG-CZ2 4.49Å; E104-W138 HydrophobicContact CG-CZ3 4.03Å; E104-W138 WeakPolarHBondContact OE2-CH2 2.94Å; E104-W138 WeakPolarHBondContact OE2-CZ2 3.45Å
105	R	56.5	Low	72.9	Confident	180 Å²	180	55.2 Å²	55.2	68%	0.679	27%	0.272	S	S	*	.			trans	-56.4	-6.6	173.2	-73.1	-169.8	-71.9	176.3	-2.4	113.7	Q103	Q103-R105 HydrophobicContact CG-CG 4.4Å; Q103-R105 PolarHBondContact O-N 2.6Å
106	F	51.6	Low	72.5	Confident	134 Å²	134	56.7 Å²	56.7	59%	0.588	29%	0.287	S	S	*	.			trans	-118.8	67.4	179.5	-54	-72.7	0	0	0	111.8	E104 S108 I109 T110	E104-F106 PolarHBondContact O-N 2.96Å; F106-S108 PolarHBondContact O-N 3.04Å; F106-I109 HydrophobicContact CB-CD1 4.36Å; F106-I109 PolarHBondContact O-N 2.88Å; F106-T110 PolarHBondContact O-OG1 2.71Å
107	N	52.4	Low	72.4	Confident	87 Å²	87	55.8 Å²	55.8	47%	0.465	28%	0.283	S	S	.	.	H	α-helix	trans	-49.5	-21.4	177.8	-75.5	-30.3	0	0	0	115.4	E104	E104-N107 PolarHBondContact O-OD1 3.37Å
108	S	52	Low	72.4	Confident	90 Å²	90	59 Å²	59	63%	0.629	30%	0.297	S	S	*	.	H	α-helix	trans	-72.6	-45.6	-179.4	45.1	0	0	0	0	113.1	F106 S111	F106-S108 PolarHBondContact O-N 3.04Å; S108-S111 PolarHBondContact O-OG 2.8Å
109	I	58.5	Low	72.6	Confident	94 Å²	94	56.5 Å²	56.5	48%	0.482	29%	0.288	S	S	.	.	H	α-helix	trans	-67.4	-41.1	-177.8	-67.1	170.1	0	0	0	110.2	V79 F106 S111 Y113	V79-I109 HydrophobicContact CG2-CG2 4.49Å; F106-I109 HydrophobicContact CB-CD1 4.36Å; F106-I109 PolarHBondContact O-N 2.88Å; I109-S111 VanDerWaalsContact C-N 3.33Å; I109-S111 PolarHBondContact O-N 3.45Å; I109-Y113 HydrophobicContact CG2-CE2 3.74Å; I109-Y113 VanDerWaalsContact O-CD2 3.25Å; I109-Y113 WeakPolarHBondContact O-CD2 3.31Å; I109-Y113 VanDerWaalsContact O-CE2 3.29Å; I109-Y113 WeakPolarHBondContact O-CE2 3.25Å
110	T	65.4	Low	72.9	Confident	15 Å²	15	56.5 Å²	56.5	9%	0.092	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-33.7	-175.8	-35	0	0	0	0	112.7	T100 F106 A112 Y113 Y114	T100-T110 HydrophobicContact CG2-CG2 4.35Å; F106-T110 PolarHBondContact O-OG1 2.71Å; T110-A112 VanDerWaalsContact C-N 3.26Å; T110-A112 PolarHBondContact O-N 3.48Å; T110-Y113 PolarHBondContact O-N 2.96Å; T110-Y113 VanDerWaalsContact O-N 3.12Å; T110-Y114 HydrophobicContact CG2-CD2 4.12Å; T110-Y114 HydrophobicContact CG2-CE2 3.38Å; T110-Y114 WeakPolarHBondContact O-CD2 3.21Å; T110-Y114 PolarHBondContact O-N 2.64Å
111	S	73.8	Confident	73.8	Confident	18 Å²	18	56.2 Å²	56.2	13%	0.126	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-29	-176	75.4	0	0	0	0	114.6	S108 I109 R115	S108-S111 PolarHBondContact O-OG 2.8Å; I109-S111 VanDerWaalsContact C-N 3.33Å; I109-S111 PolarHBondContact O-N 3.45Å; S111-R115 PolarHBondContact O-NH1 3.29Å; S111-R115 VanDerWaalsContact O-NH1 3.09Å; S111-R115 PolarHBondContact OG-NH1 2.93Å
112	A	77.5	Confident	75	Confident	62 Å²	62	55.4 Å²	55.4	51%	0.512	28%	0.28	S	S	.	.	H	α-helix	trans	-69.9	-36.7	178.3	0	0	0	0	0	111.8	T110	T110-A112 VanDerWaalsContact C-N 3.26Å; T110-A112 PolarHBondContact O-N 3.48Å
113	Y	83.2	Confident	76.8	Confident	59 Å²	59	54.9 Å²	54.9	23%	0.231	27%	0.274	C	S	.	.	H	α-helix	trans	-72.6	-32.8	-178	-58.2	-71.3	0	0	0	112.8	V79 W98 I109 T110 R115 A117	V79-Y113 HydrophobicContact CB-CE2 4.49Å; V79-Y113 HydrophobicContact CG1-CE1 4.47Å; V79-Y113 HydrophobicContact CG1-CE2 4.36Å; V79-Y113 HydrophobicContact CG2-CE2 3.89Å; W98-Y113 AromaticContact CD2-CD1 3.7Å; W98-Y113 HydrophobicContact CD2-CD1 3.7Å; W98-Y113 AromaticContact CD2-CE1 3.85Å; W98-Y113 HydrophobicContact CD2-CE1 3.85Å; W98-Y113 AromaticContact CE3-CD1 3.72Å; W98-Y113 HydrophobicContact CE3-CD1 3.72Å; W98-Y113 AromaticContact CE3-CE1 3.37Å; W98-Y113 HydrophobicContact CE3-CE1 3.37Å; W98-Y113 HydrophobicContact CG-CD1 4.19Å; W98-Y113 HydrophobicContact CH2-CD1 4.38Å; W98-Y113 AromaticContact CH2-CE1 3.78Å; W98-Y113 HydrophobicContact CH2-CE1 3.78Å; W98-Y113 HydrophobicContact CZ2-CD1 4.37Å; W98-Y113 HydrophobicContact CZ2-CE1 4.21Å; W98-Y113 HydrophobicContact CZ3-CD1 4.08Å; W98-Y113 AromaticContact CZ3-CE1 3.34Å; W98-Y113 HydrophobicContact CZ3-CE1 3.34Å; I109-Y113 HydrophobicContact CG2-CE2 3.74Å; I109-Y113 VanDerWaalsContact O-CD2 3.25Å; I109-Y113 WeakPolarHBondContact O-CD2 3.31Å; I109-Y113 VanDerWaalsContact O-CE2 3.29Å; I109-Y113 WeakPolarHBondContact O-CE2 3.25Å; T110-Y113 PolarHBondContact O-N 2.96Å; T110-Y113 VanDerWaalsContact O-N 3.12Å; Y113-R115 PolarHBondContact O-N 2.79Å; Y113-A117 PolarHBondContact O-N 3.29Å
114	Y	87.3	Confident	78.8	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-39.7	175.7	-74	-81.8	0	0	0	112.9	I48 I50 T110 G116 A117 I120 M141 I142 A146	I48-Y114 HydrophobicContact CD1-CD1 3.4Å; I48-Y114 VanDerWaalsContact CD1-CD1 3.4Å; I48-Y114 HydrophobicContact CD1-CE1 3.59Å; I48-Y114 HydrophobicContact CD1-CG 3.95Å; I50-Y114 HydrophobicContact CD1-CE1 4.04Å; I50-Y114 HydrophobicContact CG2-CE1 4.32Å; T110-Y114 HydrophobicContact CG2-CD2 4.12Å; T110-Y114 HydrophobicContact CG2-CE2 3.38Å; T110-Y114 WeakPolarHBondContact O-CD2 3.21Å; T110-Y114 PolarHBondContact O-N 2.64Å; Y114-G116 VanDerWaalsContact C-N 3.34Å; Y114-G116 PolarHBondContact O-N 2.99Å; Y114-A117 PolarHBondContact O-N 2.93Å; Y114-I120 HydrophobicContact CD1-CD1 4.14Å; Y114-M141 HydrophobicContact CE2-CB 4.45Å; Y114-I142 HydrophobicContact CD1-CG1 4.42Å; Y114-I142 HydrophobicContact CE1-CG1 3.9Å; Y114-A146 HydrophobicContact CD1-CB 4.35Å
115	R	86.6	Confident	80.7	Confident	157 Å²	157	47.5 Å²	47.5	59%	0.592	24%	0.239	S	C	*	.	H	α-helix	trans	-65.3	-34.5	-174.7	-69.9	-176.5	-177.4	95.4	-8.3	113.6	S111 Y113 Y145	S111-R115 PolarHBondContact O-NH1 3.29Å; S111-R115 VanDerWaalsContact O-NH1 3.09Å; S111-R115 PolarHBondContact OG-NH1 2.93Å; Y113-R115 PolarHBondContact O-N 2.79Å; R115-Y145 WeakPolarHBondContact CG-O 3.39Å
116	G	86.3	Confident	82.7	Confident	31 Å²	31	38.9 Å²	38.9	32%	0.32	21%	0.207	S	C	.	.	H	α-helix	trans	-88.6	-13.2	179.7	0	0	0	0	0	114.2	Q46 Y114 K118	Q46-G116 PolarHBondContact OE1-O 3.39Å; Y114-G116 VanDerWaalsContact C-N 3.34Å; Y114-G116 PolarHBondContact O-N 2.99Å; G116-K118 PolarHBondContact O-N 3.05Å
117	A	92.9	Very high	85	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.188	C	C	.	.			trans	-70	126.6	-174.6	0	0	0	0	0	111.4	I48 Y113 Y114 I120	I48-A117 HydrophobicContact CD1-CB 4.16Å; I48-A117 HydrophobicContact CG1-CB 3.92Å; I48-A117 HydrophobicContact CG2-CB 3.89Å; Y113-A117 PolarHBondContact O-N 3.29Å; Y114-A117 PolarHBondContact O-N 2.93Å; A117-I120 HydrophobicContact CB-CG1 4.1Å
118	K	94.5	Very high	87.1	Confident	68 Å²	68	34.6 Å²	34.6	30%	0.296	19%	0.186	S	C	.	.	S	Bend	trans	-92.6	-20.7	168.1	-66.6	-58	-171.5	-179.9	0	112.1	L45 Q46 G116 E149 E151 I206 M210	L45-K118 HydrophobicContact CD2-CB 4.48Å; Q46-K118 PolarHBondContact O-N 2.95Å; G116-K118 PolarHBondContact O-N 3.05Å; K118-E149 IonicContact NZ-OE2 2.96Å; K118-E149 PolarHBondContact NZ-OE2 2.94Å; K118-E149 VanDerWaalsContact NZ-OE2 3.08Å; K118-E151 PolarHBondContact O-N 2.79Å; K118-I206 HydrophobicContact CB-CD1 4.26Å; K118-I206 HydrophobicContact CB-CG2 4.12Å; K118-I206 WeakPolarHBondContact O-CD1 3.18Å; K118-I206 WeakPolarHBondContact O-CG1 3.11Å; K118-M210 HydrophobicContact CD-CE 4.43Å; K118-M210 HydrophobicContact CG-CE 4.23Å
119	G	95.4	Very high	89.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	142.2	172.5	0	0	0	0	0	111.5	Q46 I47 I48 E151	Q46-G119 PolarHBondContact O-N 2.99Å; I47-G119 VanDerWaalsContact CA-O 3.27Å; I47-G119 WeakPolarHBondContact CA-O 3.45Å; I48-G119 PolarHBondContact N-O 3.26Å; I48-G119 VanDerWaalsContact N-O 3.07Å; G119-E151 CarbonylContact C-O 3.44Å; G119-E151 WeakPolarHBondContact CA-O 3.35Å
120	I	95.6	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.5	178.7	-54.3	-177.8	0	0	0	108.2	I48 I50 Y114 A117 V122 I142 A146 A150 E151 L152 L153	I48-I120 HydrophobicContact CD1-CD1 4.11Å; I48-I120 HydrophobicContact CD1-CG1 3.96Å; I48-I120 HydrophobicContact CD1-CG2 4.08Å; I48-I120 HydrophobicContact CG1-CB 4.15Å; I48-I120 HydrophobicContact CG1-CD1 4.49Å; I48-I120 HydrophobicContact CG1-CG1 3.79Å; I48-I120 HydrophobicContact CG1-CG2 3.94Å; I50-I120 HydrophobicContact CD1-CG2 3.92Å; I50-I120 HydrophobicContact CG1-CG2 4.16Å; Y114-I120 HydrophobicContact CD1-CD1 4.14Å; A117-I120 HydrophobicContact CB-CG1 4.1Å; I120-V122 HydrophobicContact CG2-CG2 4.21Å; I120-I142 HydrophobicContact CD1-CG1 4.13Å; I120-I142 HydrophobicContact CD1-CG2 4.03Å; I120-I142 HydrophobicContact CG2-CD1 3.89Å; I120-I142 HydrophobicContact CG2-CG1 4.15Å; I120-A146 HydrophobicContact CD1-CB 3.57Å; I120-A150 HydrophobicContact CD1-CB 4.13Å; I120-A150 HydrophobicContact CG1-CB 4.31Å; I120-E151 PolarHBondContact N-O 3.39Å; I120-L152 HydrophobicContact CB-CD2 3.76Å; I120-L152 HydrophobicContact CD1-CD2 4Å; I120-L152 HydrophobicContact CG1-CD2 4.16Å; I120-L152 HydrophobicContact CG2-CD2 4.44Å; I120-L153 PolarHBondContact O-N 2.82Å
121	V	96.9	Very high	92.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.5	174.4	-175.3	0	0	0	0	108.4	I47 I48 I49 I50 V123 L153 V155 F199 L202	I47-V121 HydrophobicContact CG2-CG2 4.01Å; I48-V121 PolarHBondContact O-N 3.44Å; I49-V121 WeakPolarHBondContact CA-O 3.46Å; I49-V121 HydrophobicContact CG1-CB 4.33Å; I49-V121 HydrophobicContact CG2-CB 4.28Å; I49-V121 HydrophobicContact CG2-CG1 4.38Å; I50-V121 PolarHBondContact N-O 3.05Å; V121-V123 HydrophobicContact CG1-CG2 3.84Å; V121-L153 CarbonylContact C-O 3.56Å; V121-L153 WeakPolarHBondContact CA-O 3.33Å; V121-V155 HydrophobicContact CG1-CB 4.4Å; V121-V155 HydrophobicContact CG1-CG2 3.63Å; V121-F199 HydrophobicContact CG2-CE1 4.43Å; V121-L202 HydrophobicContact CG2-CD2 3.57Å
122	V	96.2	Very high	93.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	118	176.5	-168.5	0	0	0	0	108.3	I50 I120 L135 W138 I142 L153 L154 V155	I50-V122 HydrophobicContact CD1-CG2 4.03Å; I50-V122 HydrophobicContact CG1-CB 4.35Å; I50-V122 HydrophobicContact CG1-CG1 4.29Å; I50-V122 HydrophobicContact CG1-CG2 4.01Å; I120-V122 HydrophobicContact CG2-CG2 4.21Å; V122-L135 HydrophobicContact CG1-CD2 3.54Å; V122-W138 HydrophobicContact CG1-CB 4.18Å; V122-I142 HydrophobicContact CG2-CD1 3.74Å; V122-L153 PolarHBondContact N-O 2.8Å; V122-L154 HydrophobicContact CB-CD1 4.23Å; V122-L154 HydrophobicContact CG1-CD1 4.32Å; V122-L154 CarbonylContact O-C 3.58Å; V122-L154 WeakPolarHBondContact O-CA 3.3Å; V122-V155 PolarHBondContact O-N 2.82Å
123	V	97.3	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.8	-172.6	-169.6	0	0	0	0	110.8	I49 I50 G51 V55 K57 L60 V121 V155 N157	I49-V123 HydrophobicContact CG2-CG2 3.59Å; I50-V123 PolarHBondContact O-N 2.96Å; G51-V123 WeakPolarHBondContact CA-O 3.35Å; V55-V123 HydrophobicContact CB-CG1 4.2Å; V55-V123 HydrophobicContact CG2-CB 3.91Å; V55-V123 HydrophobicContact CG2-CG1 3.82Å; K57-V123 HydrophobicContact CG-CB 4.15Å; K57-V123 HydrophobicContact CG-CG2 4.21Å; L60-V123 HydrophobicContact CD1-CG1 3.91Å; L60-V123 HydrophobicContact CD1-CG2 4.08Å; V121-V123 HydrophobicContact CG1-CG2 3.84Å; V123-V155 WeakPolarHBondContact CA-O 3.43Å; V123-V155 HydrophobicContact CG2-CB 4.39Å; V123-N157 HydrophobicContact CG1-CB 3.74Å
124	Y	98	Very high	95.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	166	166	73.6	-85.7	0	0	0	110.6	I126 F132 L135 L154 V155 G156 N157 I167 F184	Y124-I126 HydrophobicContact CE2-CG2 3.95Å; Y124-F132 HydrophobicContact CD1-CD2 4.2Å; Y124-F132 HydrophobicContact CD2-CB 4.29Å; Y124-F132 AromaticContact CD2-CD2 3.82Å; Y124-F132 HydrophobicContact CD2-CD2 3.82Å; Y124-F132 HydrophobicContact CE1-CD2 4.15Å; Y124-F132 HydrophobicContact CE1-CE2 4.31Å; Y124-F132 AromaticContact CE2-CD2 3.78Å; Y124-F132 HydrophobicContact CE2-CD2 3.78Å; Y124-F132 HydrophobicContact CE2-CE2 4.4Å; Y124-F132 HydrophobicContact CG-CD2 4.03Å; Y124-F132 AromaticContact CZ-CD2 3.94Å; Y124-L135 HydrophobicContact CD1-CD1 4.08Å; Y124-L135 HydrophobicContact CD1-CD2 4.41Å; Y124-L135 HydrophobicContact CG-CD1 4.45Å; Y124-L154 HydrophobicContact CD1-CD1 3.84Å; Y124-L154 HydrophobicContact CD1-CG 4.21Å; Y124-L154 HydrophobicContact CE1-CD1 4.08Å; Y124-L154 HydrophobicContact CE1-CD2 4.11Å; Y124-L154 HydrophobicContact CE1-CG 3.93Å; Y124-V155 WeakPolarHBondContact CD1-O 3.45Å; Y124-V155 PolarHBondContact N-O 2.87Å; Y124-G156 VanDerWaalsContact CE1-CA 3.49Å; Y124-G156 VanDerWaalsContact CZ-CA 3.5Å; Y124-N157 PolarHBondContact O-N 2.89Å; Y124-I167 HydrophobicContact CD2-CD1 3.88Å; Y124-I167 HydrophobicContact CE2-CB 4.16Å; Y124-I167 HydrophobicContact CE2-CD1 3.98Å; Y124-I167 HydrophobicContact CE2-CG2 3.73Å; Y124-F184 HydrophobicContact CE1-CE2 4.11Å; Y124-F184 WeakPolarHBondContact OH-CE2 3.32Å
125	D	97.8	Very high	95.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.4	178.4	178.4	-7.3	0	0	0	109.4	V55 T127 K128 T131 K158 I167	V55-D125 HydrophobicContact CB-CB 4.34Å; V55-D125 HydrophobicContact CG1-CB 4.19Å; D125-T127 PolarHBondContact O-N 2.6Å; D125-T127 VanDerWaalsContact O-N 3.13Å; D125-T127 PolarHBondContact OD1-N 2.92Å; D125-T127 PolarHBondContact OD1-OG1 3.11Å; D125-T127 VanDerWaalsContact OD1-OG1 3.13Å; D125-K128 HydrophobicContact CB-CB 4.11Å; D125-K128 HydrophobicContact CB-CG 4.39Å; D125-K128 PolarHBondContact O-N 3.39Å; D125-K128 VanDerWaalsContact OD2-CD 3.32Å; D125-K128 WeakPolarHBondContact OD2-CD 3.49Å; D125-K128 WeakPolarHBondContact OD2-CE 3.4Å; D125-K128 WeakPolarHBondContact OD2-CG 3.44Å; D125-T131 HydrophobicContact CB-CG2 4.27Å; D125-T131 PolarHBondContact N-OG1 3.02Å; D125-T131 PolarHBondContact O-OG1 3.08Å; D125-K158 WeakPolarHBondContact OD1-CD 3.24Å; D125-K158 WeakPolarHBondContact OD2-CD 3.43Å; D125-K158 WeakPolarHBondContact OD2-CE 3.11Å; D125-K158 IonicContact OD2-NZ 3.81Å; D125-K158 PolarHBondContact OD2-NZ 2.76Å; D125-I167 VanDerWaalsContact O-CD1 3.22Å; D125-I167 WeakPolarHBondContact O-CD1 3.46Å
126	I	98.5	Very high	95.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.1	-177	67.6	168.9	0	0	0	113.5	Y124 N157 K158 L159 I166 I167	Y124-I126 HydrophobicContact CE2-CG2 3.95Å; I126-N157 PolarHBondContact N-O 3.3Å; I126-N157 VanDerWaalsContact N-O 3.16Å; I126-K158 WeakPolarHBondContact CD1-O 3.44Å; I126-L159 HydrophobicContact CD1-CD1 4.16Å; I126-I166 PolarHBondContact O-N 2.95Å; I126-I167 PolarHBondContact O-N 3.15Å
127	T	97.9	Very high	96	Very high	33 Å²	33	36.6 Å²	36.6	20%	0.202	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	2.4	179.3	85.4	0	0	0	0	112.5	D125 C161 D164 I166	D125-T127 PolarHBondContact O-N 2.6Å; D125-T127 VanDerWaalsContact O-N 3.13Å; D125-T127 PolarHBondContact OD1-N 2.92Å; D125-T127 PolarHBondContact OD1-OG1 3.11Å; D125-T127 VanDerWaalsContact OD1-OG1 3.13Å; T127-C161 HydrophobicContact CG2-CB 3.47Å; T127-C161 VanDerWaalsContact CG2-CB 3.47Å; T127-D164 WeakPolarHBondContact CB-O 3.29Å; T127-D164 HydrophobicContact CG2-CB 4.11Å; T127-I166 WeakPolarHBondContact O-CD1 3.2Å
128	K	97.1	Very high	96	Very high	97 Å²	97	36.8 Å²	36.8	42%	0.422	18%	0.176	S	C	.	.			trans	-135.1	103.6	-176.6	-63.4	-172.5	-175.9	-173.3	0	113.1	D125 E130 T131	D125-K128 HydrophobicContact CB-CB 4.11Å; D125-K128 HydrophobicContact CB-CG 4.39Å; D125-K128 PolarHBondContact O-N 3.39Å; D125-K128 VanDerWaalsContact OD2-CD 3.32Å; D125-K128 WeakPolarHBondContact OD2-CD 3.49Å; D125-K128 WeakPolarHBondContact OD2-CE 3.4Å; D125-K128 WeakPolarHBondContact OD2-CG 3.44Å; K128-E130 VanDerWaalsContact C-N 3.32Å; K128-E130 PolarHBondContact O-N 3.19Å; K128-T131 HydrophobicContact CB-CG2 3.75Å; K128-T131 HydrophobicContact CD-CG2 4.36Å; K128-T131 PolarHBondContact O-N 2.83Å; K128-T131 PolarHBondContact O-OG1 3.43Å
129	Q	97.3	Very high	95.9	Very high	64 Å²	64	34.2 Å²	34.2	30%	0.299	17%	0.166	S	C	.	.	H	α-helix	trans	-57.7	-42	-177.2	-179.4	60.2	31.7	0	0	112.2	T131 F132 E133 I166	Q129-T131 PolarHBondContact O-N 3.25Å; Q129-F132 WeakPolarHBondContact O-CB 3.42Å; Q129-F132 PolarHBondContact O-N 3.28Å; Q129-E133 HydrophobicContact CG-CG 4.44Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.29Å; Q129-E133 PolarHBondContact NE2-OE1 2.97Å; Q129-E133 PolarHBondContact O-N 3.49Å; Q129-I166 HydrophobicContact CB-CD1 3.81Å; Q129-I166 HydrophobicContact CB-CG1 4.48Å; Q129-I166 VanDerWaalsContact N-CD1 3.3Å
130	E	96.3	Very high	95.7	Very high	151 Å²	151	41.4 Å²	41.4	71%	0.706	20%	0.197	S	C	*	.	H	α-helix	trans	-54.2	-38.9	177.6	-62.1	177.1	179	0	0	112.1	K128 F132 E133 D134	K128-E130 VanDerWaalsContact C-N 3.32Å; K128-E130 PolarHBondContact O-N 3.19Å; E130-F132 VanDerWaalsContact C-N 3.27Å; E130-F132 PolarHBondContact O-N 3.15Å; E130-E133 PolarHBondContact O-N 3.41Å; E130-D134 PolarHBondContact O-N 3.41Å; E130-D134 VanDerWaalsContact O-OD1 3.12Å
131	T	96	Very high	95.3	Very high	8 Å²	8	43 Å²	43	5%	0.049	21%	0.205	C	C	.	.	H	α-helix	trans	-70.6	-25.5	-178.6	73.2	0	0	0	0	112.7	V55 D125 K128 Q129	V55-T131 HydrophobicContact CG1-CG2 3.67Å; D125-T131 HydrophobicContact CB-CG2 4.27Å; D125-T131 PolarHBondContact N-OG1 3.02Å; D125-T131 PolarHBondContact O-OG1 3.08Å; K128-T131 HydrophobicContact CB-CG2 3.75Å; K128-T131 HydrophobicContact CD-CG2 4.36Å; K128-T131 PolarHBondContact O-N 2.83Å; K128-T131 PolarHBondContact O-OG1 3.43Å; Q129-T131 PolarHBondContact O-N 3.25Å
132	F	97.8	Very high	95	Very high	26 Å²	26	43.4 Å²	43.4	11%	0.114	21%	0.207	C	C	.	.	H	α-helix	trans	-81.1	-38.2	174	-172.3	-95.4	0	0	0	111.6	Y124 Q129 E130 D134 L135 I167 Q171 F175	Y124-F132 HydrophobicContact CD1-CD2 4.2Å; Y124-F132 HydrophobicContact CD2-CB 4.29Å; Y124-F132 AromaticContact CD2-CD2 3.82Å; Y124-F132 HydrophobicContact CD2-CD2 3.82Å; Y124-F132 HydrophobicContact CE1-CD2 4.15Å; Y124-F132 HydrophobicContact CE1-CE2 4.31Å; Y124-F132 AromaticContact CE2-CD2 3.78Å; Y124-F132 HydrophobicContact CE2-CD2 3.78Å; Y124-F132 HydrophobicContact CE2-CE2 4.4Å; Y124-F132 HydrophobicContact CG-CD2 4.03Å; Y124-F132 AromaticContact CZ-CD2 3.94Å; Q129-F132 WeakPolarHBondContact O-CB 3.42Å; Q129-F132 PolarHBondContact O-N 3.28Å; E130-F132 VanDerWaalsContact C-N 3.27Å; E130-F132 PolarHBondContact O-N 3.15Å; F132-D134 PolarHBondContact O-N 2.96Å; F132-L135 HydrophobicContact CD2-CD1 3.41Å; F132-L135 VanDerWaalsContact CD2-CD1 3.41Å; F132-L135 HydrophobicContact CD2-CG 4.49Å; F132-L135 HydrophobicContact CE2-CD1 3.58Å; F132-L135 HydrophobicContact CG-CD1 4.03Å; F132-L135 HydrophobicContact CZ-CD1 4.31Å; F132-L135 VanDerWaalsContact O-CB 3.32Å; F132-L135 WeakPolarHBondContact O-CB 3.44Å; F132-L135 VanDerWaalsContact O-CG 3.28Å; F132-L135 WeakPolarHBondContact O-CG 3.48Å; F132-L135 PolarHBondContact O-N 2.89Å; F132-L135 VanDerWaalsContact O-N 3.08Å; F132-I167 HydrophobicContact CB-CD1 3.56Å; F132-I167 HydrophobicContact CB-CG1 4.02Å; F132-I167 HydrophobicContact CD2-CG2 3.81Å; F132-I167 HydrophobicContact CE2-CG2 4.02Å; F132-I167 HydrophobicContact CG-CD1 4.22Å; F132-I167 HydrophobicContact CG-CG1 4.26Å; F132-I167 HydrophobicContact CG-CG2 4.16Å; F132-Q171 HydrophobicContact CZ-CB 4.12Å; F132-F175 HydrophobicContact CE2-CB 4.34Å; F132-F175 HydrophobicContact CZ-CB 3.92Å; F132-F175 HydrophobicContact CZ-CD2 4.28Å; F132-F175 HydrophobicContact CZ-CG 4.34Å
133	E	96.6	Very high	94.8	Very high	114 Å²	114	49.3 Å²	49.3	53%	0.533	24%	0.238	S	C	.	.	H	α-helix	trans	-64.8	-19.7	172.9	-69.5	175.1	-175.9	0	0	112.8	Q129 E130 P136	Q129-E133 HydrophobicContact CG-CG 4.44Å; Q129-E133 WeakPolarHBondContact CG-OE1 3.29Å; Q129-E133 PolarHBondContact NE2-OE1 2.97Å; Q129-E133 PolarHBondContact O-N 3.49Å; E130-E133 PolarHBondContact O-N 3.41Å; E133-P136 VanDerWaalsContact O-CD 3.31Å; E133-P136 WeakPolarHBondContact O-CD 3.39Å
134	D	94.4	Very high	94.5	Very high	30 Å²	30	56.2 Å²	56.2	16%	0.16	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-18.5	173.3	-69.5	-5.9	0	0	0	114	S52 E130 F132 P136 K137 W138	S52-D134 WeakPolarHBondContact CB-OD2 3.03Å; S52-D134 VanDerWaalsContact OG-CB 3.25Å; S52-D134 WeakPolarHBondContact OG-CB 2.93Å; S52-D134 PolarHBondContact OG-OD2 2.88Å; E130-D134 PolarHBondContact O-N 3.41Å; E130-D134 VanDerWaalsContact O-OD1 3.12Å; F132-D134 PolarHBondContact O-N 2.96Å; D134-P136 VanDerWaalsContact C-CD 3.49Å; D134-K137 HydrophobicContact CB-CD 3.9Å; D134-K137 WeakPolarHBondContact O-CA 3.27Å; D134-K137 WeakPolarHBondContact O-CB 3.28Å; D134-K137 WeakPolarHBondContact O-CG 3.36Å; D134-K137 PolarHBondContact O-N 3.38Å; D134-K137 WeakPolarHBondContact OD1-CE 3.28Å; D134-K137 IonicContact OD1-NZ 2.53Å; D134-K137 PolarHBondContact OD1-NZ 3.4Å; D134-K137 IonicContact OD2-NZ 3.98Å; D134-W138 PolarHBondContact O-N 3.14Å
135	L	94.7	Very high	94.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-54.1	-43.9	-176.6	-66.2	174.5	0	0	0	114	V122 Y124 F132 K137 W138 M139 L154 F175	V122-L135 HydrophobicContact CG1-CD2 3.54Å; Y124-L135 HydrophobicContact CD1-CD1 4.08Å; Y124-L135 HydrophobicContact CD1-CD2 4.41Å; Y124-L135 HydrophobicContact CG-CD1 4.45Å; F132-L135 HydrophobicContact CD2-CD1 3.41Å; F132-L135 VanDerWaalsContact CD2-CD1 3.41Å; F132-L135 HydrophobicContact CD2-CG 4.49Å; F132-L135 HydrophobicContact CE2-CD1 3.58Å; F132-L135 HydrophobicContact CG-CD1 4.03Å; F132-L135 HydrophobicContact CZ-CD1 4.31Å; F132-L135 VanDerWaalsContact O-CB 3.32Å; F132-L135 WeakPolarHBondContact O-CB 3.44Å; F132-L135 VanDerWaalsContact O-CG 3.28Å; F132-L135 WeakPolarHBondContact O-CG 3.48Å; F132-L135 PolarHBondContact O-N 2.89Å; F132-L135 VanDerWaalsContact O-N 3.08Å; L135-K137 PolarHBondContact O-N 3.07Å; L135-K137 VanDerWaalsContact O-N 3.17Å; L135-W138 WeakPolarHBondContact O-CB 3.44Å; L135-W138 PolarHBondContact O-N 3.41Å; L135-W138 VanDerWaalsContact O-N 3.1Å; L135-M139 WeakPolarHBondContact O-CG 3.39Å; L135-M139 PolarHBondContact O-N 3.29Å; L135-L154 HydrophobicContact CD1-CD1 3.89Å; L135-L154 HydrophobicContact CD1-CD2 4.47Å; L135-L154 HydrophobicContact CD2-CD1 3.71Å; L135-L154 HydrophobicContact CG-CD1 4.46Å; L135-F175 HydrophobicContact CB-CE1 3.89Å; L135-F175 HydrophobicContact CB-CE2 3.76Å; L135-F175 HydrophobicContact CB-CZ 3.4Å; L135-F175 HydrophobicContact CD1-CD1 4.12Å; L135-F175 HydrophobicContact CD1-CD2 4.31Å; L135-F175 HydrophobicContact CD1-CE1 4.14Å; L135-F175 HydrophobicContact CD1-CE2 4.33Å; L135-F175 HydrophobicContact CD1-CG 4.22Å; L135-F175 HydrophobicContact CD1-CZ 4.26Å; L135-F175 HydrophobicContact CG-CZ 4.46Å
136	P	94.3	Very high	93.8	Very high	62 Å²	62	59.3 Å²	59.3	40%	0.403	29%	0.285	S	S	.	.	H	α-helix	trans	-59	-28.1	175.4	-24.1	35.1	0	0	0	113.9	E133 D134 K140 F175	E133-P136 VanDerWaalsContact O-CD 3.31Å; E133-P136 WeakPolarHBondContact O-CD 3.39Å; D134-P136 VanDerWaalsContact C-CD 3.49Å; P136-K140 WeakPolarHBondContact O-CG 3.49Å; P136-K140 PolarHBondContact O-N 2.55Å; P136-K140 VanDerWaalsContact O-N 3.16Å; P136-F175 HydrophobicContact CG-CE2 4.19Å
137	K	91.4	Very high	93.3	Very high	115 Å²	115	61.4 Å²	61.4	50%	0.5	30%	0.3	S	S	.	.	H	α-helix	trans	-67	-46.4	176.6	-43.1	174	-180	-175.5	0	109.8	D134 L135 K140 M141	D134-K137 HydrophobicContact CB-CD 3.9Å; D134-K137 WeakPolarHBondContact O-CA 3.27Å; D134-K137 WeakPolarHBondContact O-CB 3.28Å; D134-K137 WeakPolarHBondContact O-CG 3.36Å; D134-K137 PolarHBondContact O-N 3.38Å; D134-K137 WeakPolarHBondContact OD1-CE 3.28Å; D134-K137 IonicContact OD1-NZ 2.53Å; D134-K137 PolarHBondContact OD1-NZ 3.4Å; D134-K137 IonicContact OD2-NZ 3.98Å; L135-K137 PolarHBondContact O-N 3.07Å; L135-K137 VanDerWaalsContact O-N 3.17Å; K137-K140 PolarHBondContact O-N 2.83Å; K137-M141 PolarHBondContact O-N 2.89Å
138	W	91.4	Very high	92.8	Very high	4 Å²	4	69.5 Å²	69.5	2%	0.015	34%	0.335	C	S	.	.	H	α-helix	trans	-64.3	-41.7	177.4	-61.4	113.7	0	0	0	111.9	I50 G51 E104 V122 D134 L135 K140 M141 I142	I50-W138 HydrophobicContact CB-CE3 4.05Å; I50-W138 HydrophobicContact CB-CZ3 4.21Å; I50-W138 HydrophobicContact CD1-CB 4.01Å; I50-W138 HydrophobicContact CD1-CE3 4.07Å; I50-W138 HydrophobicContact CG1-CE3 4.36Å; G51-W138 VanDerWaalsContact O-CZ2 3.29Å; G51-W138 WeakPolarHBondContact O-CZ2 3.34Å; E104-W138 HydrophobicContact CB-CH2 4.24Å; E104-W138 HydrophobicContact CB-CZ3 4.5Å; E104-W138 HydrophobicContact CG-CH2 3.7Å; E104-W138 HydrophobicContact CG-CZ2 4.49Å; E104-W138 HydrophobicContact CG-CZ3 4.03Å; E104-W138 WeakPolarHBondContact OE2-CH2 2.94Å; E104-W138 WeakPolarHBondContact OE2-CZ2 3.45Å; V122-W138 HydrophobicContact CG1-CB 4.18Å; D134-W138 PolarHBondContact O-N 3.14Å; L135-W138 WeakPolarHBondContact O-CB 3.44Å; L135-W138 PolarHBondContact O-N 3.41Å; L135-W138 VanDerWaalsContact O-N 3.1Å; W138-K140 PolarHBondContact O-N 3.27Å; W138-M141 WeakPolarHBondContact O-CB 3.37Å; W138-M141 PolarHBondContact O-N 3Å; W138-M141 VanDerWaalsContact O-N 3.08Å; W138-I142 WeakPolarHBondContact O-CG1 3.33Å; W138-I142 PolarHBondContact O-N 3.48Å
139	M	92.4	Very high	92.3	Very high	14 Å²	14	71.1 Å²	71.1	7%	0.069	34%	0.344	C	S	.	.	H	α-helix	trans	-59.5	-44	175.6	-66	-49.5	-52.5	0	0	112.4	L135 M141 I142 D143 L152 F175 I179 M182	L135-M139 WeakPolarHBondContact O-CG 3.39Å; L135-M139 PolarHBondContact O-N 3.29Å; M139-M141 PolarHBondContact O-N 2.87Å; M139-I142 HydrophobicContact CE-CD1 4.23Å; M139-I142 WeakPolarHBondContact O-CB 3.25Å; M139-I142 PolarHBondContact O-N 3.12Å; M139-I142 VanDerWaalsContact O-N 3.11Å; M139-I142 HydrophobicContact SD-CD1 3.89Å; M139-D143 VanDerWaalsContact O-CG 3.24Å; M139-D143 PolarHBondContact O-N 3.43Å; M139-L152 HydrophobicContact CE-CD1 3.92Å; M139-F175 HydrophobicContact CG-CE1 4.18Å; M139-F175 HydrophobicContact CG-CZ 3.99Å; M139-I179 HydrophobicContact CE-CD1 3.74Å; M139-I179 HydrophobicContact CE-CG1 4.31Å; M139-I179 HydrophobicContact CE-CG2 3.77Å; M139-I179 HydrophobicContact CG-CD1 3.9Å; M139-I179 HydrophobicContact SD-CD1 3.8Å; M139-M182 HydrophobicContact CE-SD 4.34Å; M139-M182 HydrophobicContact SD-CE 4.21Å; M139-M182 HydrophobicContact SD-SD 4.06Å
140	K	91.3	Very high	92.1	Very high	150 Å²	150	68.6 Å²	68.6	65%	0.652	33%	0.334	S	S	*	.	H	α-helix	trans	-59.5	-32.1	175.2	-72.6	173.2	-178.2	-179.7	0	113.3	P136 K137 W138 K144	P136-K140 WeakPolarHBondContact O-CG 3.49Å; P136-K140 PolarHBondContact O-N 2.55Å; P136-K140 VanDerWaalsContact O-N 3.16Å; K137-K140 PolarHBondContact O-N 2.83Å; W138-K140 PolarHBondContact O-N 3.27Å; K140-K144 VanDerWaalsContact O-CB 3.25Å; K140-K144 WeakPolarHBondContact O-CB 3.29Å; K140-K144 PolarHBondContact O-N 2.95Å
141	M	88.1	Confident	92.1	Very high	34 Å²	34	61.6 Å²	61.6	17%	0.167	30%	0.301	C	S	.	.	H	α-helix	trans	-74.6	-39.7	177.1	-65.1	-65	-74.3	0	0	111.4	Y114 K137 W138 M139 K144 Y145	Y114-M141 HydrophobicContact CE2-CB 4.45Å; K137-M141 PolarHBondContact O-N 2.89Å; W138-M141 WeakPolarHBondContact O-CB 3.37Å; W138-M141 PolarHBondContact O-N 3Å; W138-M141 VanDerWaalsContact O-N 3.08Å; M139-M141 PolarHBondContact O-N 2.87Å; M141-K144 PolarHBondContact O-N 2.58Å; M141-Y145 HydrophobicContact CE-CD2 3.96Å; M141-Y145 HydrophobicContact CE-CE2 3.5Å; M141-Y145 VanDerWaalsContact O-CD2 3.3Å; M141-Y145 WeakPolarHBondContact O-CD2 3.21Å; M141-Y145 PolarHBondContact O-N 3.14Å; M141-Y145 VanDerWaalsContact O-N 3.08Å; M141-Y145 HydrophobicContact SD-CD2 4.37Å; M141-Y145 HydrophobicContact SD-CE2 3.86Å
142	I	91.1	Very high	92.1	Very high	9 Å²	9	62 Å²	62	5%	0.046	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-54.9	172.3	-66.6	165.6	0	0	0	109.4	I50 Y114 I120 V122 W138 M139 K144 Y145 A146 L152	I50-I142 HydrophobicContact CD1-CD1 3.76Å; I50-I142 HydrophobicContact CD1-CG1 3.89Å; Y114-I142 HydrophobicContact CD1-CG1 4.42Å; Y114-I142 HydrophobicContact CE1-CG1 3.9Å; I120-I142 HydrophobicContact CD1-CG1 4.13Å; I120-I142 HydrophobicContact CD1-CG2 4.03Å; I120-I142 HydrophobicContact CG2-CD1 3.89Å; I120-I142 HydrophobicContact CG2-CG1 4.15Å; V122-I142 HydrophobicContact CG2-CD1 3.74Å; W138-I142 WeakPolarHBondContact O-CG1 3.33Å; W138-I142 PolarHBondContact O-N 3.48Å; M139-I142 HydrophobicContact CE-CD1 4.23Å; M139-I142 WeakPolarHBondContact O-CB 3.25Å; M139-I142 PolarHBondContact O-N 3.12Å; M139-I142 VanDerWaalsContact O-N 3.11Å; M139-I142 HydrophobicContact SD-CD1 3.89Å; I142-K144 PolarHBondContact O-N 3.2Å; I142-K144 VanDerWaalsContact O-N 3.08Å; I142-Y145 PolarHBondContact O-N 3.47Å; I142-A146 HydrophobicContact CG2-CB 3.85Å; I142-A146 WeakPolarHBondContact O-CB 3.28Å; I142-A146 PolarHBondContact O-N 3.07Å; I142-L152 HydrophobicContact CD1-CD2 4.32Å; I142-L152 HydrophobicContact CG2-CD1 4.31Å; I142-L152 HydrophobicContact CG2-CD2 3.9Å
143	D	91	Very high	92.1	Very high	125 Å²	125	60.8 Å²	60.8	67%	0.668	30%	0.298	S	S	*	.	H	α-helix	trans	-57.5	-30.6	-178.5	-64.1	-18.9	0	0	0	112.7	M139	M139-D143 VanDerWaalsContact O-CG 3.24Å; M139-D143 PolarHBondContact O-N 3.43Å
144	K	90.5	Very high	92.2	Very high	144 Å²	144	55.4 Å²	55.4	63%	0.626	27%	0.273	S	S	*	.	H	α-helix	trans	-84.1	-32.6	-177.6	-174.1	174.1	179.4	-169.2	0	114.1	K140 M141 I142	K140-K144 VanDerWaalsContact O-CB 3.25Å; K140-K144 WeakPolarHBondContact O-CB 3.29Å; K140-K144 PolarHBondContact O-N 2.95Å; M141-K144 PolarHBondContact O-N 2.58Å; I142-K144 PolarHBondContact O-N 3.2Å; I142-K144 VanDerWaalsContact O-N 3.08Å
145	Y	90	Very high	92.4	Very high	44 Å²	44	54 Å²	54	17%	0.173	27%	0.265	C	S	.	.	H	α-helix	trans	-126.6	-21.3	-166.5	-60.4	-66.1	0	0	0	114.9	R115 M141 I142	R115-Y145 WeakPolarHBondContact CG-O 3.39Å; M141-Y145 HydrophobicContact CE-CD2 3.96Å; M141-Y145 HydrophobicContact CE-CE2 3.5Å; M141-Y145 VanDerWaalsContact O-CD2 3.3Å; M141-Y145 WeakPolarHBondContact O-CD2 3.21Å; M141-Y145 PolarHBondContact O-N 3.14Å; M141-Y145 VanDerWaalsContact O-N 3.08Å; M141-Y145 HydrophobicContact SD-CD2 4.37Å; M141-Y145 HydrophobicContact SD-CE2 3.86Å; I142-Y145 PolarHBondContact O-N 3.47Å
146	A	91	Very high	92.6	Very high	21 Å²	21	54 Å²	54	17%	0.174	27%	0.265	C	S	.	.	S	Bend	trans	-82.8	159	-179.4	0	0	0	0	0	111.5	Y114 I120 I142	Y114-A146 HydrophobicContact CD1-CB 4.35Å; I120-A146 HydrophobicContact CD1-CB 3.57Å; I142-A146 HydrophobicContact CG2-CB 3.85Å; I142-A146 WeakPolarHBondContact O-CB 3.28Å; I142-A146 PolarHBondContact O-N 3.07Å
147	S	89.1	Confident	92.7	Very high	45 Å²	45	51.2 Å²	51.2	32%	0.315	25%	0.247	S	C	.	.			trans	-71.4	142.7	167.4	178.4	0	0	0	0	110	E149 A150	S147-E149 PolarHBondContact O-N 3.09Å; S147-E149 VanDerWaalsContact O-N 3.16Å; S147-E149 PolarHBondContact OG-N 3.26Å; S147-A150 VanDerWaalsContact O-CB 3.24Å; S147-A150 WeakPolarHBondContact O-CB 3.47Å; S147-A150 PolarHBondContact O-N 2.97Å
148	E	86.8	Confident	93	Very high	203 Å²	203	47.9 Å²	47.9	95%	0.949	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.1	172.3	-63.4	-178.3	-179.6	0	0	112.7	A150	E148-A150 VanDerWaalsContact C-N 3.3Å
149	E	87.6	Confident	93.3	Very high	131 Å²	131	49.4 Å²	49.4	61%	0.612	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-5.2	175.3	-58.7	177.6	177.5	0	0	113.5	K118 S147 E151	K118-E149 IonicContact NZ-OE2 2.96Å; K118-E149 PolarHBondContact NZ-OE2 2.94Å; K118-E149 VanDerWaalsContact NZ-OE2 3.08Å; S147-E149 PolarHBondContact O-N 3.09Å; S147-E149 VanDerWaalsContact O-N 3.16Å; S147-E149 PolarHBondContact OG-N 3.26Å; E149-E151 PolarHBondContact O-N 3.04Å
150	A	93.1	Very high	93.5	Very high	11 Å²	11	51 Å²	51	9%	0.091	25%	0.25	C	C	.	.			trans	-73.1	128.7	-177.3	0	0	0	0	0	111	I120 S147 E148	I120-A150 HydrophobicContact CD1-CB 4.13Å; I120-A150 HydrophobicContact CG1-CB 4.31Å; S147-A150 VanDerWaalsContact O-CB 3.24Å; S147-A150 WeakPolarHBondContact O-CB 3.47Å; S147-A150 PolarHBondContact O-N 2.97Å; E148-A150 VanDerWaalsContact C-N 3.3Å
151	E	95.4	Very high	93.8	Very high	3 Å²	3	45.5 Å²	45.5	1%	0.014	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	137.9	173.7	-63.7	-47.9	126.3	0	0	111.2	K118 G119 I120 E149 L202 D205 I206 K209	K118-E151 PolarHBondContact O-N 2.79Å; G119-E151 CarbonylContact C-O 3.44Å; G119-E151 WeakPolarHBondContact CA-O 3.35Å; I120-E151 PolarHBondContact N-O 3.39Å; E149-E151 PolarHBondContact O-N 3.04Å; E151-L202 HydrophobicContact CB-CD1 3.51Å; E151-D205 HydrophobicContact CG-CB 3.86Å; E151-I206 HydrophobicContact CB-CG1 3.82Å; E151-I206 HydrophobicContact CG-CB 4.25Å; E151-I206 HydrophobicContact CG-CG1 3.43Å; E151-I206 VanDerWaalsContact CG-CG1 3.43Å; E151-K209 VanDerWaalsContact CD-CE 3.48Å; E151-K209 WeakPolarHBondContact OE1-CD 3.35Å; E151-K209 WeakPolarHBondContact OE1-CE 3.31Å; E151-K209 IonicContact OE1-NZ 2.8Å; E151-K209 PolarHBondContact OE1-NZ 2.95Å; E151-K209 WeakPolarHBondContact OE2-CE 2.97Å; E151-K209 IonicContact OE2-NZ 2.93Å; E151-K209 PolarHBondContact OE2-NZ 2.91Å
152	L	96.1	Very high	94.1	Very high	18 Å²	18	48.3 Å²	48.3	9%	0.094	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	134.1	-177.6	-53.1	-175.4	0	0	0	110.8	I120 M139 I142 I179 M182 R183	I120-L152 HydrophobicContact CB-CD2 3.76Å; I120-L152 HydrophobicContact CD1-CD2 4Å; I120-L152 HydrophobicContact CG1-CD2 4.16Å; I120-L152 HydrophobicContact CG2-CD2 4.44Å; M139-L152 HydrophobicContact CE-CD1 3.92Å; I142-L152 HydrophobicContact CD1-CD2 4.32Å; I142-L152 HydrophobicContact CG2-CD1 4.31Å; I142-L152 HydrophobicContact CG2-CD2 3.9Å; L152-I179 HydrophobicContact CD1-CG2 4.07Å; L152-M182 HydrophobicContact CB-CB 4.07Å; L152-M182 HydrophobicContact CB-CG 3.99Å; L152-M182 HydrophobicContact CB-SD 4.36Å; L152-M182 WeakPolarHBondContact O-CA 3.32Å; L152-R183 PolarHBondContact O-N 2.76Å
153	L	97.8	Very high	94.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.2	174	-178.8	65.5	0	0	0	110.5	I120 V121 V122 V155 R183 I198 L202	I120-L153 PolarHBondContact O-N 2.82Å; V121-L153 CarbonylContact C-O 3.56Å; V121-L153 WeakPolarHBondContact CA-O 3.33Å; V122-L153 PolarHBondContact N-O 2.8Å; L153-V155 HydrophobicContact CD2-CG2 4.13Å; L153-V155 HydrophobicContact CG-CG2 4.03Å; L153-R183 HydrophobicContact CD1-CB 3.64Å; L153-I198 HydrophobicContact CD2-CB 3.69Å; L153-I198 HydrophobicContact CD2-CG2 4.21Å; L153-I198 WeakPolarHBondContact CD2-O 3.32Å; L153-L202 HydrophobicContact CB-CD1 4.26Å; L153-L202 HydrophobicContact CD2-CB 4.31Å
154	L	98.4	Very high	94.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	130.8	168.5	-168.4	58.9	0	0	0	110.4	V122 Y124 L135 F175 A176 M182 R183 F184 C185	V122-L154 HydrophobicContact CB-CD1 4.23Å; V122-L154 HydrophobicContact CG1-CD1 4.32Å; V122-L154 CarbonylContact O-C 3.58Å; V122-L154 WeakPolarHBondContact O-CA 3.3Å; Y124-L154 HydrophobicContact CD1-CD1 3.84Å; Y124-L154 HydrophobicContact CD1-CG 4.21Å; Y124-L154 HydrophobicContact CE1-CD1 4.08Å; Y124-L154 HydrophobicContact CE1-CD2 4.11Å; Y124-L154 HydrophobicContact CE1-CG 3.93Å; L135-L154 HydrophobicContact CD1-CD1 3.89Å; L135-L154 HydrophobicContact CD1-CD2 4.47Å; L135-L154 HydrophobicContact CD2-CD1 3.71Å; L135-L154 HydrophobicContact CG-CD1 4.46Å; L154-F175 HydrophobicContact CD2-CB 4.33Å; L154-F175 HydrophobicContact CD2-CD1 3.9Å; L154-F175 HydrophobicContact CD2-CG 4.48Å; L154-A176 HydrophobicContact CB-CB 4.46Å; L154-A176 HydrophobicContact CD2-CB 4.2Å; L154-M182 HydrophobicContact CB-CE 3.45Å; L154-M182 VanDerWaalsContact CB-CE 3.45Å; L154-M182 HydrophobicContact CD1-CE 3.69Å; L154-M182 HydrophobicContact CD2-CE 4.04Å; L154-M182 HydrophobicContact CG-CE 3.9Å; L154-R183 WeakPolarHBondContact CB-O 3.42Å; L154-R183 PolarHBondContact N-O 2.83Å; L154-F184 HydrophobicContact CB-CB 4.48Å; L154-F184 HydrophobicContact CB-CD2 3.98Å; L154-F184 HydrophobicContact CD2-CD2 3.77Å; L154-F184 HydrophobicContact CD2-CE2 4.32Å; L154-F184 HydrophobicContact CG-CD2 3.89Å; L154-F184 HydrophobicContact CG-CE2 4.46Å; L154-F184 WeakPolarHBondContact O-CA 3.47Å; L154-C185 PolarHBondContact O-N 3.01Å
155	V	98.6	Very high	95.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.4	176.6	-178.3	0	0	0	0	110.3	L60 V121 V122 V123 Y124 L153 N157 C185 A187 I198	L60-V155 HydrophobicContact CD1-CG1 4.18Å; V121-V155 HydrophobicContact CG1-CB 4.4Å; V121-V155 HydrophobicContact CG1-CG2 3.63Å; V122-V155 PolarHBondContact O-N 2.82Å; V123-V155 WeakPolarHBondContact CA-O 3.43Å; V123-V155 HydrophobicContact CG2-CB 4.39Å; Y124-V155 WeakPolarHBondContact CD1-O 3.45Å; Y124-V155 PolarHBondContact N-O 2.87Å; L153-V155 HydrophobicContact CD2-CG2 4.13Å; L153-V155 HydrophobicContact CG-CG2 4.03Å; V155-N157 PolarHBondContact O-N 3Å; V155-C185 VanDerWaalsContact CA-O 3.3Å; V155-C185 WeakPolarHBondContact CA-O 3.43Å; V155-A187 HydrophobicContact CG1-CB 3.95Å; V155-I198 HydrophobicContact CG1-CD1 4.37Å; V155-I198 HydrophobicContact CG2-CB 4.41Å; V155-I198 HydrophobicContact CG2-CD1 4.06Å; V155-I198 HydrophobicContact CG2-CG2 4.1Å
156	G	98.4	Very high	95.5	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	102.6	162.9	0	0	0	0	0	109.4	Y124 C185 E186 A187	Y124-G156 VanDerWaalsContact CE1-CA 3.49Å; Y124-G156 VanDerWaalsContact CZ-CA 3.5Å; G156-C185 PolarHBondContact N-O 3.11Å; G156-E186 CarbonylContact O-C 3.6Å; G156-E186 WeakPolarHBondContact O-CA 3.24Å; G156-A187 PolarHBondContact O-N 3.22Å
157	N	98.2	Very high	95.8	Very high	4 Å²	4	50 Å²	50	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	169.1	-177.3	-167.8	32.2	0	0	0	111.8	V55 L60 V123 Y124 I126 V155 A187 A189	V55-N157 PolarHBondContact O-ND2 3.16Å; L60-N157 HydrophobicContact CD1-CB 4.23Å; V123-N157 HydrophobicContact CG1-CB 3.74Å; Y124-N157 PolarHBondContact O-N 2.89Å; I126-N157 PolarHBondContact N-O 3.3Å; I126-N157 VanDerWaalsContact N-O 3.16Å; V155-N157 PolarHBondContact O-N 3Å; N157-A187 CarbonylContact C-O 3.55Å; N157-A187 WeakPolarHBondContact CA-O 3.46Å; N157-A187 PolarHBondContact OD1-O 3.38Å; N157-A189 PolarHBondContact OD1-N 2.86Å
158	K	97.1	Very high	96.2	Very high	46 Å²	46	50 Å²	50	20%	0.2	26%	0.258	C	S	.	.			trans	69.2	38.7	-177.8	-47.1	-166.2	-167.9	170	0	113.8	G54 D125 I126 D160 C161 A187	G54-K158 WeakPolarHBondContact O-CE 2.84Å; G54-K158 PolarHBondContact O-NZ 3.45Å; D125-K158 WeakPolarHBondContact OD1-CD 3.24Å; D125-K158 WeakPolarHBondContact OD2-CD 3.43Å; D125-K158 WeakPolarHBondContact OD2-CE 3.11Å; D125-K158 IonicContact OD2-NZ 3.81Å; D125-K158 PolarHBondContact OD2-NZ 2.76Å; I126-K158 WeakPolarHBondContact CD1-O 3.44Å; K158-D160 WeakPolarHBondContact CA-OD1 3.38Å; K158-D160 PolarHBondContact O-N 3.37Å; K158-D160 VanDerWaalsContact O-N 3.14Å; K158-C161 WeakPolarHBondContact O-CB 3.08Å; K158-C161 PolarHBondContact O-N 3.22Å; K158-A187 PolarHBondContact N-O 3.14Å; K158-A187 VanDerWaalsContact N-O 3.09Å
159	L	97.7	Very high	96.7	Very high	35 Å²	35	45.5 Å²	45.5	18%	0.183	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.7	-22.6	174.9	-168	66.9	0	0	0	113.2	I126 C161 E162 E186 A187 F193	I126-L159 HydrophobicContact CD1-CD1 4.16Å; L159-C161 PolarHBondContact O-N 2.83Å; L159-E162 VanDerWaalsContact CD1-OE2 3.29Å; L159-E162 WeakPolarHBondContact CD1-OE2 3.46Å; L159-E162 PolarHBondContact O-N 3.49Å; L159-E186 HydrophobicContact CD1-CB 4.2Å; L159-E186 HydrophobicContact CD2-CB 4.3Å; L159-A187 WeakPolarHBondContact CB-O 3.19Å; L159-A187 PolarHBondContact N-O 3.39Å; L159-A187 VanDerWaalsContact N-O 3.07Å; L159-F193 HydrophobicContact CD2-CD1 3.47Å; L159-F193 VanDerWaalsContact CD2-CD1 3.47Å; L159-F193 HydrophobicContact CD2-CE1 3.41Å; L159-F193 VanDerWaalsContact CD2-CE1 3.41Å; L159-F193 HydrophobicContact CD2-CZ 4.46Å
160	D	97.1	Very high	97.2	Very high	48 Å²	48	44.1 Å²	44.1	26%	0.257	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-59	-23.1	170.6	52.4	-72.4	0	0	0	113.3	K158 S188 K190 D191	K158-D160 WeakPolarHBondContact CA-OD1 3.38Å; K158-D160 PolarHBondContact O-N 3.37Å; K158-D160 VanDerWaalsContact O-N 3.14Å; D160-S188 WeakPolarHBondContact CB-OG 3.12Å; D160-S188 VanDerWaalsContact CG-OG 3.29Å; D160-S188 WeakPolarHBondContact OD1-CB 3.29Å; D160-S188 PolarHBondContact OD1-OG 3.2Å; D160-K190 HydrophobicContact CB-CB 4.43Å; D160-K190 HydrophobicContact CB-CD 4.49Å; D160-K190 VanDerWaalsContact OD2-CD 3.28Å; D160-K190 WeakPolarHBondContact OD2-CD 3.27Å; D160-D191 WeakPolarHBondContact CB-OD2 3.45Å
161	C	95.9	Very high	97.5	Very high	35 Å²	35	46.7 Å²	46.7	24%	0.236	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-96.6	35.2	176	-63.3	0	0	0	0	112.8	T127 K158 L159 T163 D164 R165	T127-C161 HydrophobicContact CG2-CB 3.47Å; T127-C161 VanDerWaalsContact CG2-CB 3.47Å; K158-C161 WeakPolarHBondContact O-CB 3.08Å; K158-C161 PolarHBondContact O-N 3.22Å; L159-C161 PolarHBondContact O-N 2.83Å; C161-T163 PolarHBondContact O-N 3.09Å; C161-T163 VanDerWaalsContact O-N 3.12Å; C161-D164 PolarHBondContact O-N 2.93Å; C161-R165 PolarHBondContact O-N 3.2Å
162	E	95.8	Very high	97.6	Very high	93 Å²	93	46.5 Å²	46.5	44%	0.435	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-53.6	-33.4	-178.2	-174.2	62.6	-156.8	0	0	113.3	L159 D164 R165	L159-E162 VanDerWaalsContact CD1-OE2 3.29Å; L159-E162 WeakPolarHBondContact CD1-OE2 3.46Å; L159-E162 PolarHBondContact O-N 3.49Å; E162-D164 PolarHBondContact O-N 3.19Å; E162-R165 WeakPolarHBondContact O-CB 3.25Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 IonicContact OE1-CZ 3.53Å; E162-R165 IonicContact OE1-NE 3.57Å; E162-R165 PolarHBondContact OE1-NE 3.5Å; E162-R165 IonicContact OE1-NH2 2.88Å; E162-R165 IonicContact OE2-CZ 2.7Å; E162-R165 VanDerWaalsContact OE2-CZ 3.23Å; E162-R165 IonicContact OE2-NE 3.23Å; E162-R165 PolarHBondContact OE2-NE 3.35Å; E162-R165 IonicContact OE2-NH2 2.8Å; E162-R165 PolarHBondContact OE2-NH2 3.49Å
163	T	97.1	Very high	97.6	Very high	132 Å²	132	49.7 Å²	49.7	81%	0.81	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-65.6	-26.6	178	52.8	0	0	0	0	113.5	C161	C161-T163 PolarHBondContact O-N 3.09Å; C161-T163 VanDerWaalsContact O-N 3.12Å
164	D	97.2	Very high	97.6	Very high	105 Å²	105	55.8 Å²	55.8	56%	0.561	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-101.5	13.1	179.5	-58.1	-41.1	0	0	0	111.7	T127 C161 E162 I166	T127-D164 WeakPolarHBondContact CB-O 3.29Å; T127-D164 HydrophobicContact CG2-CB 4.11Å; C161-D164 PolarHBondContact O-N 2.93Å; E162-D164 PolarHBondContact O-N 3.19Å; D164-I166 PolarHBondContact O-N 3.3Å
165	R	98.1	Very high	97.6	Very high	51 Å²	51	57.1 Å²	57.1	19%	0.192	28%	0.282	C	S	.	.			trans	-60.1	128.1	-179.8	177.8	-174.9	-74.7	-93.4	10	110.5	C161 E162 I167 E186	C161-R165 PolarHBondContact O-N 3.2Å; E162-R165 WeakPolarHBondContact O-CB 3.25Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 IonicContact OE1-CZ 3.53Å; E162-R165 IonicContact OE1-NE 3.57Å; E162-R165 PolarHBondContact OE1-NE 3.5Å; E162-R165 IonicContact OE1-NH2 2.88Å; E162-R165 IonicContact OE2-CZ 2.7Å; E162-R165 VanDerWaalsContact OE2-CZ 3.23Å; E162-R165 IonicContact OE2-NE 3.23Å; E162-R165 PolarHBondContact OE2-NE 3.35Å; E162-R165 IonicContact OE2-NH2 2.8Å; E162-R165 PolarHBondContact OE2-NH2 3.49Å; R165-I167 WeakPolarHBondContact CD-O 3.41Å; R165-I167 WeakPolarHBondContact CG-O 3.41Å; R165-I167 PolarHBondContact NH1-O 3.12Å; R165-E186 IonicContact CZ-OE1 2.71Å; R165-E186 IonicContact CZ-OE2 3.82Å; R165-E186 IonicContact NH1-OE1 2.67Å; R165-E186 PolarHBondContact NH1-OE1 3.08Å; R165-E186 IonicContact NH1-OE2 3.21Å; R165-E186 VanDerWaalsContact NH2-CD 3.34Å; R165-E186 IonicContact NH2-OE1 3.42Å; R165-E186 PolarHBondContact NH2-OE1 3.43Å; R165-E186 IonicContact NH2-OE2 3.79Å; R165-E186 PolarHBondContact NH2-OE2 3.08Å
166	I	98.1	Very high	97.5	Very high	90 Å²	90	57.2 Å²	57.2	46%	0.462	28%	0.283	S	S	.	.			trans	-119.4	-16.2	171	64.7	-178.6	0	0	0	113	I126 T127 Q129 D164	I126-I166 PolarHBondContact O-N 2.95Å; T127-I166 WeakPolarHBondContact O-CD1 3.2Å; Q129-I166 HydrophobicContact CB-CD1 3.81Å; Q129-I166 HydrophobicContact CB-CG1 4.48Å; Q129-I166 VanDerWaalsContact N-CD1 3.3Å; D164-I166 PolarHBondContact O-N 3.3Å
167	I	98.1	Very high	97.4	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-106.6	113.8	171.7	-60.4	140.9	0	0	0	108.4	Y124 D125 I126 F132 R165 Q171	Y124-I167 HydrophobicContact CD2-CD1 3.88Å; Y124-I167 HydrophobicContact CE2-CB 4.16Å; Y124-I167 HydrophobicContact CE2-CD1 3.98Å; Y124-I167 HydrophobicContact CE2-CG2 3.73Å; D125-I167 VanDerWaalsContact O-CD1 3.22Å; D125-I167 WeakPolarHBondContact O-CD1 3.46Å; I126-I167 PolarHBondContact O-N 3.15Å; F132-I167 HydrophobicContact CB-CD1 3.56Å; F132-I167 HydrophobicContact CB-CG1 4.02Å; F132-I167 HydrophobicContact CD2-CG2 3.81Å; F132-I167 HydrophobicContact CE2-CG2 4.02Å; F132-I167 HydrophobicContact CG-CD1 4.22Å; F132-I167 HydrophobicContact CG-CG1 4.26Å; F132-I167 HydrophobicContact CG-CG2 4.16Å; R165-I167 WeakPolarHBondContact CD-O 3.41Å; R165-I167 WeakPolarHBondContact CG-O 3.41Å; R165-I167 PolarHBondContact NH1-O 3.12Å; I167-Q171 HydrophobicContact CG2-CB 4.05Å
168	S	98	Very high	97.2	Very high	44 Å²	44	71.2 Å²	71.2	31%	0.308	35%	0.35	S	S	.	.			trans	-66	148.6	176.1	65.2	0	0	0	0	111.5	Q170 Q171 G172	S168-Q170 PolarHBondContact O-N 2.96Å; S168-Q171 WeakPolarHBondContact O-CB 3.43Å; S168-Q171 PolarHBondContact O-N 2.8Å; S168-Q171 VanDerWaalsContact OG-CG 3.32Å; S168-Q171 WeakPolarHBondContact OG-CG 3.4Å; S168-Q171 PolarHBondContact OG-N 3.21Å; S168-Q171 PolarHBondContact OG-OE1 3.21Å; S168-G172 PolarHBondContact O-N 2.71Å
169	K	97.8	Very high	97	Very high	109 Å²	109	70.9 Å²	70.9	47%	0.474	35%	0.35	S	S	.	.	H	α-helix	trans	-51.8	-39.8	172.3	-171.9	-179.9	178.5	-178.6	0	112.1	Q171 G172 E173 F184	K169-Q171 VanDerWaalsContact C-N 3.3Å; K169-Q171 PolarHBondContact O-N 2.88Å; K169-G172 PolarHBondContact O-N 2.94Å; K169-G172 VanDerWaalsContact O-N 3.14Å; K169-E173 VanDerWaalsContact CE-OE1 3.25Å; K169-E173 WeakPolarHBondContact CE-OE1 3.2Å; K169-E173 WeakPolarHBondContact O-CG 3.43Å; K169-E173 PolarHBondContact O-N 3.21Å; K169-F184 HydrophobicContact CG-CE1 3.71Å; K169-F184 HydrophobicContact CG-CZ 4.23Å
170	Q	98.1	Very high	96.5	Very high	102 Å²	102	75.1 Å²	75.1	48%	0.477	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-32.9	178.1	-169.3	178.7	58	0	0	113	S168 R174	S168-Q170 PolarHBondContact O-N 2.96Å; Q170-R174 VanDerWaalsContact CD-CZ 3.47Å; Q170-R174 HydrophobicContact CG-CG 4.43Å; Q170-R174 VanDerWaalsContact O-CB 3.28Å; Q170-R174 WeakPolarHBondContact O-CB 3.42Å; Q170-R174 WeakPolarHBondContact O-CG 3.48Å; Q170-R174 PolarHBondContact O-N 2.7Å; Q170-R174 VanDerWaalsContact OE1-CZ 3.32Å
171	Q	97.9	Very high	96	Very high	65 Å²	65	74.9 Å²	74.9	30%	0.304	39%	0.391	S	S	.	.	H	α-helix	trans	-66.2	-42.9	173.6	-76.8	163.5	-79.1	0	0	111.3	F132 I167 S168 K169 R174 F175	F132-Q171 HydrophobicContact CZ-CB 4.12Å; I167-Q171 HydrophobicContact CG2-CB 4.05Å; S168-Q171 WeakPolarHBondContact O-CB 3.43Å; S168-Q171 PolarHBondContact O-N 2.8Å; S168-Q171 VanDerWaalsContact OG-CG 3.32Å; S168-Q171 WeakPolarHBondContact OG-CG 3.4Å; S168-Q171 PolarHBondContact OG-N 3.21Å; S168-Q171 PolarHBondContact OG-OE1 3.21Å; K169-Q171 VanDerWaalsContact C-N 3.3Å; K169-Q171 PolarHBondContact O-N 2.88Å; Q171-R174 PolarHBondContact O-N 3.48Å; Q171-F175 PolarHBondContact O-N 3.23Å
172	G	97.4	Very high	95.9	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-60.7	-48.4	174.5	0	0	0	0	0	112.4	S168 K169 R174 F175 A176	S168-G172 PolarHBondContact O-N 2.71Å; K169-G172 PolarHBondContact O-N 2.94Å; K169-G172 VanDerWaalsContact O-N 3.14Å; G172-R174 PolarHBondContact O-N 2.98Å; G172-F175 PolarHBondContact O-N 3.35Å; G172-A176 PolarHBondContact O-N 3.42Å
173	E	97.6	Very high	95.9	Very high	85 Å²	85	72.7 Å²	72.7	40%	0.397	38%	0.375	S	S	.	.	H	α-helix	trans	-58.1	-46.8	175.9	-71.5	171.4	173.9	0	0	112	K169 F175 A176 S177 F184	K169-E173 VanDerWaalsContact CE-OE1 3.25Å; K169-E173 WeakPolarHBondContact CE-OE1 3.2Å; K169-E173 WeakPolarHBondContact O-CG 3.43Å; K169-E173 PolarHBondContact O-N 3.21Å; E173-F175 VanDerWaalsContact C-N 3.3Å; E173-F175 PolarHBondContact O-N 2.67Å; E173-A176 PolarHBondContact O-N 2.92Å; E173-S177 WeakPolarHBondContact O-CB 3.46Å; E173-S177 PolarHBondContact O-N 3.16Å; E173-S177 PolarHBondContact O-OG 2.85Å; E173-F184 HydrophobicContact CB-CD1 4.31Å; E173-F184 HydrophobicContact CG-CD1 3.38Å; E173-F184 HydrophobicContact CG-CE1 3.62Å; E173-F184 HydrophobicContact CG-CG 4.38Å
174	R	97.9	Very high	95.9	Very high	127 Å²	127	68.1 Å²	68.1	48%	0.479	34%	0.344	S	S	.	.	H	α-helix	trans	-65.1	-31.4	177.7	-76.5	173.8	-178	163.3	4.2	113.2	Q170 Q171 G172 S177 R178	Q170-R174 VanDerWaalsContact CD-CZ 3.47Å; Q170-R174 HydrophobicContact CG-CG 4.43Å; Q170-R174 VanDerWaalsContact O-CB 3.28Å; Q170-R174 WeakPolarHBondContact O-CB 3.42Å; Q170-R174 WeakPolarHBondContact O-CG 3.48Å; Q170-R174 PolarHBondContact O-N 2.7Å; Q170-R174 VanDerWaalsContact OE1-CZ 3.32Å; Q171-R174 PolarHBondContact O-N 3.48Å; G172-R174 PolarHBondContact O-N 2.98Å; R174-S177 PolarHBondContact O-OG 2.81Å; R174-R178 WeakPolarHBondContact O-CD 3.46Å; R174-R178 WeakPolarHBondContact O-CG 3.37Å; R174-R178 PolarHBondContact O-NE 3.29Å
175	F	97.5	Very high	96	Very high	28 Å²	28	63.7 Å²	63.7	12%	0.123	32%	0.321	C	S	.	.	H	α-helix	trans	-69.6	-51	175.4	-175.2	-82.4	0	0	0	110	F132 L135 P136 M139 L154 Q171 G172 E173 S177 R178 I179 M182	F132-F175 HydrophobicContact CE2-CB 4.34Å; F132-F175 HydrophobicContact CZ-CB 3.92Å; F132-F175 HydrophobicContact CZ-CD2 4.28Å; F132-F175 HydrophobicContact CZ-CG 4.34Å; L135-F175 HydrophobicContact CB-CE1 3.89Å; L135-F175 HydrophobicContact CB-CE2 3.76Å; L135-F175 HydrophobicContact CB-CZ 3.4Å; L135-F175 HydrophobicContact CD1-CD1 4.12Å; L135-F175 HydrophobicContact CD1-CD2 4.31Å; L135-F175 HydrophobicContact CD1-CE1 4.14Å; L135-F175 HydrophobicContact CD1-CE2 4.33Å; L135-F175 HydrophobicContact CD1-CG 4.22Å; L135-F175 HydrophobicContact CD1-CZ 4.26Å; L135-F175 HydrophobicContact CG-CZ 4.46Å; P136-F175 HydrophobicContact CG-CE2 4.19Å; M139-F175 HydrophobicContact CG-CE1 4.18Å; M139-F175 HydrophobicContact CG-CZ 3.99Å; L154-F175 HydrophobicContact CD2-CB 4.33Å; L154-F175 HydrophobicContact CD2-CD1 3.9Å; L154-F175 HydrophobicContact CD2-CG 4.48Å; Q171-F175 PolarHBondContact O-N 3.23Å; G172-F175 PolarHBondContact O-N 3.35Å; E173-F175 VanDerWaalsContact C-N 3.3Å; E173-F175 PolarHBondContact O-N 2.67Å; F175-S177 VanDerWaalsContact C-N 3.33Å; F175-S177 PolarHBondContact O-N 3.13Å; F175-R178 PolarHBondContact O-N 2.98Å; F175-I179 HydrophobicContact CD1-CD1 3.94Å; F175-I179 HydrophobicContact CE1-CD1 3.4Å; F175-I179 HydrophobicContact CZ-CD1 4.01Å; F175-M182 HydrophobicContact CD1-CE 4.01Å; F175-M182 HydrophobicContact CE1-CE 3.86Å
176	A	96.7	Very high	96	Very high	3 Å²	3	62 Å²	62	3%	0.025	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-39.9	179.7	0	0	0	0	0	112.2	L154 G172 E173 R178 I179 M182 F184	L154-A176 HydrophobicContact CB-CB 4.46Å; L154-A176 HydrophobicContact CD2-CB 4.2Å; G172-A176 PolarHBondContact O-N 3.42Å; E173-A176 PolarHBondContact O-N 2.92Å; A176-R178 PolarHBondContact O-N 2.87Å; A176-R178 VanDerWaalsContact O-N 3.08Å; A176-I179 PolarHBondContact O-N 2.87Å; A176-I179 VanDerWaalsContact O-O 3.06Å; A176-M182 HydrophobicContact CB-CG 4.17Å; A176-F184 HydrophobicContact CB-CB 3.76Å
177	S	96.2	Very high	96	Very high	96 Å²	96	57.7 Å²	57.7	67%	0.671	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.7	-179.2	75.4	0	0	0	0	114.5	E173 R174 F175 I179	E173-S177 WeakPolarHBondContact O-CB 3.46Å; E173-S177 PolarHBondContact O-N 3.16Å; E173-S177 PolarHBondContact O-OG 2.85Å; R174-S177 PolarHBondContact O-OG 2.81Å; F175-S177 VanDerWaalsContact C-N 3.33Å; F175-S177 PolarHBondContact O-N 3.13Å; S177-I179 VanDerWaalsContact C-N 3.32Å
178	R	94.6	Very high	96	Very high	202 Å²	202	57.8 Å²	57.8	76%	0.762	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-13.6	176.5	-67.6	168.5	-174.5	-168.4	-0.5	112.6	R174 F175 A176	R174-R178 WeakPolarHBondContact O-CD 3.46Å; R174-R178 WeakPolarHBondContact O-CG 3.37Å; R174-R178 PolarHBondContact O-NE 3.29Å; F175-R178 PolarHBondContact O-N 2.98Å; A176-R178 PolarHBondContact O-N 2.87Å; A176-R178 VanDerWaalsContact O-N 3.08Å
179	I	92.4	Very high	95.9	Very high	39 Å²	39	55.8 Å²	55.8	20%	0.2	28%	0.28	C	S	.	.	S	Bend	trans	-113.4	119.1	-174	-61.2	160.7	0	0	0	107.5	M139 L152 F175 A176 S177 G181 M182	M139-I179 HydrophobicContact CE-CD1 3.74Å; M139-I179 HydrophobicContact CE-CG1 4.31Å; M139-I179 HydrophobicContact CE-CG2 3.77Å; M139-I179 HydrophobicContact CG-CD1 3.9Å; M139-I179 HydrophobicContact SD-CD1 3.8Å; L152-I179 HydrophobicContact CD1-CG2 4.07Å; F175-I179 HydrophobicContact CD1-CD1 3.94Å; F175-I179 HydrophobicContact CE1-CD1 3.4Å; F175-I179 HydrophobicContact CZ-CD1 4.01Å; A176-I179 PolarHBondContact O-N 2.87Å; A176-I179 VanDerWaalsContact O-O 3.06Å; S177-I179 VanDerWaalsContact C-N 3.32Å; I179-G181 PolarHBondContact O-N 3.35Å; I179-M182 HydrophobicContact CB-CB 3.87Å; I179-M182 HydrophobicContact CB-SD 3.83Å; I179-M182 HydrophobicContact CD1-CE 4.12Å; I179-M182 HydrophobicContact CD1-SD 3.43Å; I179-M182 WeakPolarHBondContact CD1-SD 3.45Å; I179-M182 HydrophobicContact CG1-SD 4.23Å; I179-M182 HydrophobicContact CG2-CB 3.8Å; I179-M182 HydrophobicContact CG2-SD 3.78Å; I179-M182 PolarHBondContact O-N 3.46Å
180	S	87.6	Confident	95.7	Very high	124 Å²	124	54.6 Å²	54.6	87%	0.867	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	131.2	-177.9	-171.1	0	0	0	0	110.8	M182	S180-M182 PolarHBondContact O-N 3Å
181	G	85.5	Confident	95.6	Very high	42 Å²	42	54.8 Å²	54.8	43%	0.433	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	5.5	177.9	0	0	0	0	0	115.5	I179	I179-G181 PolarHBondContact O-N 3.35Å
182	M	94.8	Very high	95.5	Very high	15 Å²	15	54.5 Å²	54.5	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	119.2	178.5	-172.3	159.4	164.2	0	0	111.3	M139 L152 L154 F175 A176 I179 S180	M139-M182 HydrophobicContact CE-SD 4.34Å; M139-M182 HydrophobicContact SD-CE 4.21Å; M139-M182 HydrophobicContact SD-SD 4.06Å; L152-M182 HydrophobicContact CB-CB 4.07Å; L152-M182 HydrophobicContact CB-CG 3.99Å; L152-M182 HydrophobicContact CB-SD 4.36Å; L152-M182 WeakPolarHBondContact O-CA 3.32Å; L154-M182 HydrophobicContact CB-CE 3.45Å; L154-M182 VanDerWaalsContact CB-CE 3.45Å; L154-M182 HydrophobicContact CD1-CE 3.69Å; L154-M182 HydrophobicContact CD2-CE 4.04Å; L154-M182 HydrophobicContact CG-CE 3.9Å; F175-M182 HydrophobicContact CD1-CE 4.01Å; F175-M182 HydrophobicContact CE1-CE 3.86Å; A176-M182 HydrophobicContact CB-CG 4.17Å; I179-M182 HydrophobicContact CB-CB 3.87Å; I179-M182 HydrophobicContact CB-SD 3.83Å; I179-M182 HydrophobicContact CD1-CE 4.12Å; I179-M182 HydrophobicContact CD1-SD 3.43Å; I179-M182 WeakPolarHBondContact CD1-SD 3.45Å; I179-M182 HydrophobicContact CG1-SD 4.23Å; I179-M182 HydrophobicContact CG2-CB 3.8Å; I179-M182 HydrophobicContact CG2-SD 3.78Å; I179-M182 PolarHBondContact O-N 3.46Å; S180-M182 PolarHBondContact O-N 3Å
183	R	95.3	Very high	95.5	Very high	68 Å²	68	59.2 Å²	59.2	26%	0.257	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	162.7	171	-79.1	-168.9	-63.7	-172.9	-0.3	111.5	L152 L153 L154 K201 D205	L152-R183 PolarHBondContact O-N 2.76Å; L153-R183 HydrophobicContact CD1-CB 3.64Å; L154-R183 WeakPolarHBondContact CB-O 3.42Å; L154-R183 PolarHBondContact N-O 2.83Å; R183-K201 PolarHBondContact NH2-O 3.42Å; R183-D205 IonicContact CZ-OD1 3.73Å; R183-D205 IonicContact CZ-OD2 2.8Å; R183-D205 IonicContact NE-OD1 2.82Å; R183-D205 IonicContact NE-OD2 2.79Å; R183-D205 PolarHBondContact NE-OD2 3.07Å; R183-D205 IonicContact NH1-OD1 3.08Å; R183-D205 PolarHBondContact NH1-OD1 3.13Å; R183-D205 IonicContact NH1-OD2 2.96Å; R183-D205 PolarHBondContact NH1-OD2 2.73Å; R183-D205 VanDerWaalsContact NH2-CB 3.33Å; R183-D205 IonicContact NH2-OD1 2.6Å; R183-D205 PolarHBondContact NH2-OD1 3.07Å; R183-D205 IonicContact NH2-OD2 2.93Å; R183-D205 PolarHBondContact NH2-OD2 3.3Å
184	F	97.9	Very high	95.4	Very high	35 Å²	35	57.1 Å²	57.1	15%	0.154	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	137.8	175.8	172	-109.8	0	0	0	111	Y124 L154 K169 E173 A176 E186	Y124-F184 HydrophobicContact CE1-CE2 4.11Å; Y124-F184 WeakPolarHBondContact OH-CE2 3.32Å; L154-F184 HydrophobicContact CB-CB 4.48Å; L154-F184 HydrophobicContact CB-CD2 3.98Å; L154-F184 HydrophobicContact CD2-CD2 3.77Å; L154-F184 HydrophobicContact CD2-CE2 4.32Å; L154-F184 HydrophobicContact CG-CD2 3.89Å; L154-F184 HydrophobicContact CG-CE2 4.46Å; L154-F184 WeakPolarHBondContact O-CA 3.47Å; K169-F184 HydrophobicContact CG-CE1 3.71Å; K169-F184 HydrophobicContact CG-CZ 4.23Å; E173-F184 HydrophobicContact CB-CD1 4.31Å; E173-F184 HydrophobicContact CG-CD1 3.38Å; E173-F184 HydrophobicContact CG-CE1 3.62Å; E173-F184 HydrophobicContact CG-CG 4.38Å; A176-F184 HydrophobicContact CB-CB 3.76Å; F184-E186 HydrophobicContact CE1-CG 4.05Å; F184-E186 HydrophobicContact CE2-CG 4.22Å; F184-E186 HydrophobicContact CZ-CG 3.49Å; F184-E186 VanDerWaalsContact CZ-CG 3.49Å
185	C	97.9	Very high	95.3	Very high	12 Å²	12	51.1 Å²	51.1	8%	0.081	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	156.1	171.8	-73.1	0	0	0	0	109.9	L154 V155 G156 I198	L154-C185 PolarHBondContact O-N 3.01Å; V155-C185 VanDerWaalsContact CA-O 3.3Å; V155-C185 WeakPolarHBondContact CA-O 3.43Å; G156-C185 PolarHBondContact N-O 3.11Å; C185-I198 HydrophobicContact CB-CG2 3.58Å
186	E	98.3	Very high	95.1	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.075	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	145.6	165.6	-63.7	-172.3	145	0	0	109.2	G156 L159 R165 F184 N194	G156-E186 CarbonylContact O-C 3.6Å; G156-E186 WeakPolarHBondContact O-CA 3.24Å; L159-E186 HydrophobicContact CD1-CB 4.2Å; L159-E186 HydrophobicContact CD2-CB 4.3Å; R165-E186 IonicContact CZ-OE1 2.71Å; R165-E186 IonicContact CZ-OE2 3.82Å; R165-E186 IonicContact NH1-OE1 2.67Å; R165-E186 PolarHBondContact NH1-OE1 3.08Å; R165-E186 IonicContact NH1-OE2 3.21Å; R165-E186 VanDerWaalsContact NH2-CD 3.34Å; R165-E186 IonicContact NH2-OE1 3.42Å; R165-E186 PolarHBondContact NH2-OE1 3.43Å; R165-E186 IonicContact NH2-OE2 3.79Å; R165-E186 PolarHBondContact NH2-OE2 3.08Å; F184-E186 HydrophobicContact CE1-CG 4.05Å; F184-E186 HydrophobicContact CE2-CG 4.22Å; F184-E186 HydrophobicContact CZ-CG 3.49Å; F184-E186 VanDerWaalsContact CZ-CG 3.49Å; E186-N194 VanDerWaalsContact O-CB 3.31Å; E186-N194 WeakPolarHBondContact O-CB 3.3Å; E186-N194 PolarHBondContact O-ND2 3.07Å
187	A	98.1	Very high	95	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.3	C	S	.	.			trans	-144.3	159.7	-175.4	0	0	0	0	0	111.8	L60 V155 G156 N157 K158 L159 F193 N194	L60-A187 HydrophobicContact CD2-CB 4.21Å; V155-A187 HydrophobicContact CG1-CB 3.95Å; G156-A187 PolarHBondContact O-N 3.22Å; N157-A187 CarbonylContact C-O 3.55Å; N157-A187 WeakPolarHBondContact CA-O 3.46Å; N157-A187 PolarHBondContact OD1-O 3.38Å; K158-A187 PolarHBondContact N-O 3.14Å; K158-A187 VanDerWaalsContact N-O 3.09Å; L159-A187 WeakPolarHBondContact CB-O 3.19Å; L159-A187 PolarHBondContact N-O 3.39Å; L159-A187 VanDerWaalsContact N-O 3.07Å; A187-F193 WeakPolarHBondContact CA-O 3.49Å; A187-F193 WeakPolarHBondContact CB-O 3.06Å; A187-N194 HydrophobicContact CB-CB 4.22Å
188	S	97.8	Very high	95	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-127.8	113.9	164.5	173.6	0	0	0	0	109.5	D160 K190 D191 N192 F193 V195	D160-S188 WeakPolarHBondContact CB-OG 3.12Å; D160-S188 VanDerWaalsContact CG-OG 3.29Å; D160-S188 WeakPolarHBondContact OD1-CB 3.29Å; D160-S188 PolarHBondContact OD1-OG 3.2Å; S188-K190 PolarHBondContact O-N 2.86Å; S188-K190 PolarHBondContact OG-N 3.1Å; S188-D191 PolarHBondContact OG-N 2.83Å; S188-N192 CarbonylContact O-C 3.56Å; S188-N192 WeakPolarHBondContact O-CA 3.44Å; S188-N192 PolarHBondContact O-N 2.94Å; S188-F193 PolarHBondContact N-O 2.81Å; S188-F193 PolarHBondContact O-N 3.24Å; S188-V195 WeakPolarHBondContact O-CG2 3.44Å
189	A	95.9	Very high	95	Very high	3 Å²	3	43 Å²	43	3%	0.025	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-31.9	168.7	0	0	0	0	0	112.1	L60 R63 F69 N157	L60-A189 HydrophobicContact CD2-CB 3.96Å; L60-A189 HydrophobicContact CG-CB 4.14Å; R63-A189 PolarHBondContact NE-O 2.85Å; R63-A189 PolarHBondContact NH2-O 3.45Å; F69-A189 HydrophobicContact CD2-CB 4.21Å; F69-A189 HydrophobicContact CE2-CB 4.26Å; N157-A189 PolarHBondContact OD1-N 2.86Å
190	K	94.7	Very high	95.1	Very high	83 Å²	83	44 Å²	44	36%	0.361	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-54.5	-179	-175.9	171.7	-179.8	163	0	110.8	R63 F69 E71 D160 S188 N192	R63-K190 PolarHBondContact NH2-O 3.08Å; F69-K190 HydrophobicContact CD1-CG 4.35Å; F69-K190 HydrophobicContact CE1-CB 4.05Å; F69-K190 HydrophobicContact CE1-CD 4.31Å; F69-K190 HydrophobicContact CE1-CG 3.77Å; F69-K190 HydrophobicContact CE2-CB 3.97Å; F69-K190 HydrophobicContact CZ-CB 3.71Å; F69-K190 HydrophobicContact CZ-CD 4.34Å; F69-K190 HydrophobicContact CZ-CG 3.91Å; E71-K190 IonicContact OE1-NZ 2.68Å; E71-K190 PolarHBondContact OE1-NZ 3.27Å; D160-K190 HydrophobicContact CB-CB 4.43Å; D160-K190 HydrophobicContact CB-CD 4.49Å; D160-K190 VanDerWaalsContact OD2-CD 3.28Å; D160-K190 WeakPolarHBondContact OD2-CD 3.27Å; S188-K190 PolarHBondContact O-N 2.86Å; S188-K190 PolarHBondContact OG-N 3.1Å; K190-N192 VanDerWaalsContact C-N 3.26Å; K190-N192 PolarHBondContact O-N 2.86Å
191	D	95.4	Very high	95.4	Very high	106 Å²	106	41.1 Å²	41.1	57%	0.567	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	1.7	-176.6	-65.8	-11	0	0	0	113.2	D160 S188 F193	D160-D191 WeakPolarHBondContact CB-OD2 3.45Å; S188-D191 PolarHBondContact OG-N 2.83Å; D191-F193 PolarHBondContact O-N 3.48Å
192	N	95.3	Very high	95.9	Very high	60 Å²	60	39.2 Å²	39.2	32%	0.321	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	35.2	-172.5	-164	21.8	0	0	0	113	R63 D67 S188 K190	R63-N192 WeakPolarHBondContact CD-OD1 3.32Å; R63-N192 HydrophobicContact CG-CB 4.27Å; R63-N192 VanDerWaalsContact CG-OD1 3.24Å; R63-N192 WeakPolarHBondContact CG-OD1 3.44Å; D67-N192 PolarHBondContact OD1-ND2 3.1Å; S188-N192 CarbonylContact O-C 3.56Å; S188-N192 WeakPolarHBondContact O-CA 3.44Å; S188-N192 PolarHBondContact O-N 2.94Å; K190-N192 VanDerWaalsContact C-N 3.26Å; K190-N192 PolarHBondContact O-N 2.86Å
193	F	97.3	Very high	95.8	Very high	99 Å²	99	38.5 Å²	38.5	43%	0.434	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-90.1	128	-179.9	-176.5	-98.4	0	0	0	110.7	L159 A187 S188 D191 V195	L159-F193 HydrophobicContact CD2-CD1 3.47Å; L159-F193 VanDerWaalsContact CD2-CD1 3.47Å; L159-F193 HydrophobicContact CD2-CE1 3.41Å; L159-F193 VanDerWaalsContact CD2-CE1 3.41Å; L159-F193 HydrophobicContact CD2-CZ 4.46Å; A187-F193 WeakPolarHBondContact CA-O 3.49Å; A187-F193 WeakPolarHBondContact CB-O 3.06Å; S188-F193 PolarHBondContact N-O 2.81Å; S188-F193 PolarHBondContact O-N 3.24Å; D191-F193 PolarHBondContact O-N 3.48Å; F193-V195 PolarHBondContact O-N 3.34Å
194	N	95.4	Very high	95.8	Very high	40 Å²	40	37.6 Å²	37.6	21%	0.214	19%	0.188	C	C	.	.	S	Bend	trans	56.8	10.4	-178.8	-71.4	-3.9	0	0	0	116.2	E186 A187 E197 I198	E186-N194 VanDerWaalsContact O-CB 3.31Å; E186-N194 WeakPolarHBondContact O-CB 3.3Å; E186-N194 PolarHBondContact O-ND2 3.07Å; A187-N194 HydrophobicContact CB-CB 4.22Å; N194-E197 HydrophobicContact CB-CB 4.47Å; N194-E197 PolarHBondContact O-N 3.39Å; N194-E197 PolarHBondContact OD1-OE2 3.27Å; N194-E197 VanDerWaalsContact OD1-OE2 3.04Å; N194-I198 WeakPolarHBondContact O-CG1 3.44Å; N194-I198 WeakPolarHBondContact O-CG2 3.39Å; N194-I198 PolarHBondContact O-N 2.95Å
195	V	96.1	Very high	95.5	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-49.7	-176	-179.3	0	0	0	0	111.6	L60 R63 F64 S188 F193 E197 I198 F199	L60-V195 HydrophobicContact CD2-CG1 4.36Å; L60-V195 HydrophobicContact CD2-CG2 3.92Å; R63-V195 HydrophobicContact CB-CG1 4.07Å; R63-V195 HydrophobicContact CG-CB 4.12Å; R63-V195 HydrophobicContact CG-CG1 3.86Å; R63-V195 HydrophobicContact CG-CG2 3.92Å; F64-V195 HydrophobicContact CB-CG1 3.88Å; S188-V195 WeakPolarHBondContact O-CG2 3.44Å; F193-V195 PolarHBondContact O-N 3.34Å; V195-E197 VanDerWaalsContact C-N 3.3Å; V195-E197 PolarHBondContact O-N 3.35Å; V195-I198 WeakPolarHBondContact O-CG1 3.16Å; V195-F199 HydrophobicContact CG1-CE2 4.44Å; V195-F199 VanDerWaalsContact O-CD2 3.25Å; V195-F199 WeakPolarHBondContact O-CD2 3.39Å
196	D	94.4	Very high	95.2	Very high	76 Å²	76	37.3 Å²	37.3	41%	0.406	19%	0.187	S	C	.	.	H	α-helix	trans	-65.3	-38	174.6	-76.4	-48.5	0	0	0	111.7	F64 K84 I198 F199 V200	F64-D196 WeakPolarHBondContact CD2-OD1 3.18Å; F64-D196 WeakPolarHBondContact CE2-OD1 3.28Å; K84-D196 IonicContact NZ-OD1 3.45Å; K84-D196 PolarHBondContact NZ-OD1 3.29Å; D196-I198 PolarHBondContact O-N 3.2Å; D196-F199 PolarHBondContact O-N 2.87Å; D196-V200 WeakPolarHBondContact O-CB 3.18Å; D196-V200 VanDerWaalsContact O-CG2 3.28Å; D196-V200 WeakPolarHBondContact O-CG2 3.18Å; D196-V200 PolarHBondContact O-N 3.14Å
197	E	94.3	Very high	94.8	Very high	82 Å²	82	36.7 Å²	36.7	38%	0.383	19%	0.185	S	C	.	.	H	α-helix	trans	-61.6	-40.5	-176.5	-171.7	176.3	170.7	0	0	112.3	N194 V195 F199 K201	N194-E197 HydrophobicContact CB-CB 4.47Å; N194-E197 PolarHBondContact O-N 3.39Å; N194-E197 PolarHBondContact OD1-OE2 3.27Å; N194-E197 VanDerWaalsContact OD1-OE2 3.04Å; V195-E197 VanDerWaalsContact C-N 3.3Å; V195-E197 PolarHBondContact O-N 3.35Å; E197-F199 PolarHBondContact O-N 2.96Å; E197-K201 HydrophobicContact CG-CD 3.97Å; E197-K201 HydrophobicContact CG-CG 4.24Å; E197-K201 WeakPolarHBondContact O-CB 3.28Å; E197-K201 VanDerWaalsContact O-CG 3.25Å; E197-K201 WeakPolarHBondContact O-CG 3.46Å; E197-K201 PolarHBondContact O-N 2.96Å; E197-K201 WeakPolarHBondContact OE1-CE 3.4Å; E197-K201 IonicContact OE1-NZ 3.45Å; E197-K201 PolarHBondContact OE1-NZ 3.28Å
198	I	95.6	Very high	94.4	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-43.9	178.2	56.2	163.1	0	0	0	112.1	L60 L153 V155 C185 N194 V195 D196 L202	L60-I198 HydrophobicContact CD1-CD1 4.49Å; L60-I198 HydrophobicContact CD2-CD1 4.22Å; L153-I198 HydrophobicContact CD2-CB 3.69Å; L153-I198 HydrophobicContact CD2-CG2 4.21Å; L153-I198 WeakPolarHBondContact CD2-O 3.32Å; V155-I198 HydrophobicContact CG1-CD1 4.37Å; V155-I198 HydrophobicContact CG2-CB 4.41Å; V155-I198 HydrophobicContact CG2-CD1 4.06Å; V155-I198 HydrophobicContact CG2-CG2 4.1Å; C185-I198 HydrophobicContact CB-CG2 3.58Å; N194-I198 WeakPolarHBondContact O-CG1 3.44Å; N194-I198 WeakPolarHBondContact O-CG2 3.39Å; N194-I198 PolarHBondContact O-N 2.95Å; V195-I198 WeakPolarHBondContact O-CG1 3.16Å; D196-I198 PolarHBondContact O-N 3.2Å; I198-L202 WeakPolarHBondContact O-CB 3.39Å; I198-L202 PolarHBondContact O-N 3.43Å; I198-L202 VanDerWaalsContact O-N 3.11Å
199	F	94.9	Very high	93.8	Very high	1 Å²	1	46 Å²	46	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-74.1	-41.2	-179.9	-70	-79.6	0	0	0	111.6	I47 I49 F64 I97 V121 V195 D196 E197 L202 V203	I47-F199 HydrophobicContact CD1-CD1 4.38Å; I47-F199 HydrophobicContact CG2-CE1 4.47Å; I49-F199 HydrophobicContact CD1-CE1 4.13Å; I49-F199 HydrophobicContact CD1-CZ 3.84Å; F64-F199 HydrophobicContact CB-CD2 3.73Å; F64-F199 HydrophobicContact CB-CE2 3.51Å; F64-F199 HydrophobicContact CB-CZ 4.3Å; F64-F199 HydrophobicContact CD1-CB 4.4Å; F64-F199 HydrophobicContact CD1-CD1 4.25Å; F64-F199 AromaticContact CD1-CD2 3.73Å; F64-F199 HydrophobicContact CD1-CD2 3.73Å; F64-F199 HydrophobicContact CD1-CE1 4.48Å; F64-F199 HydrophobicContact CD1-CE2 4.02Å; F64-F199 AromaticContact CD1-CG 3.88Å; F64-F199 HydrophobicContact CD1-CG 3.88Å; F64-F199 HydrophobicContact CD1-CZ 4.39Å; F64-F199 HydrophobicContact CD2-CB 4.07Å; F64-F199 AromaticContact CD2-CD2 3.43Å; F64-F199 HydrophobicContact CD2-CD2 3.43Å; F64-F199 VanDerWaalsContact CD2-CD2 3.43Å; F64-F199 HydrophobicContact CD2-CE2 4.15Å; F64-F199 AromaticContact CD2-CG 3.98Å; F64-F199 HydrophobicContact CD2-CG 3.98Å; F64-F199 HydrophobicContact CE1-CB 3.97Å; F64-F199 HydrophobicContact CE1-CD1 4.26Å; F64-F199 HydrophobicContact CE1-CD2 4.17Å; F64-F199 AromaticContact CE1-CG 3.88Å; F64-F199 HydrophobicContact CE1-CG 3.88Å; F64-F199 HydrophobicContact CE2-CB 3.6Å; F64-F199 AromaticContact CE2-CD2 3.91Å; F64-F199 HydrophobicContact CE2-CD2 3.91Å; F64-F199 AromaticContact CE2-CG 3.99Å; F64-F199 HydrophobicContact CE2-CG 3.99Å; F64-F199 HydrophobicContact CG-CB 4.45Å; F64-F199 AromaticContact CG-CD2 3.33Å; F64-F199 HydrophobicContact CG-CD2 3.33Å; F64-F199 AromaticContact CG-CE2 3.64Å; F64-F199 HydrophobicContact CG-CE2 3.64Å; F64-F199 AromaticContact CG-CG 3.92Å; F64-F199 HydrophobicContact CG-CG 3.92Å; F64-F199 HydrophobicContact CG-CZ 4.4Å; F64-F199 HydrophobicContact CZ-CB 3.54Å; F64-F199 HydrophobicContact CZ-CD2 4.25Å; F64-F199 AromaticContact CZ-CG 3.94Å; F64-F199 HydrophobicContact CZ-CG 3.94Å; I97-F199 HydrophobicContact CD1-CD1 4.39Å; I97-F199 HydrophobicContact CD1-CE1 4.18Å; I97-F199 HydrophobicContact CG2-CE1 4.35Å; V121-F199 HydrophobicContact CG2-CE1 4.43Å; V195-F199 HydrophobicContact CG1-CE2 4.44Å; V195-F199 VanDerWaalsContact O-CD2 3.25Å; V195-F199 WeakPolarHBondContact O-CD2 3.39Å; D196-F199 PolarHBondContact O-N 2.87Å; E197-F199 PolarHBondContact O-N 2.96Å; F199-L202 PolarHBondContact O-N 3.18Å; F199-V203 WeakPolarHBondContact O-CB 3.49Å; F199-V203 WeakPolarHBondContact O-CG2 3.22Å; F199-V203 PolarHBondContact O-N 2.95Å
200	V	93.9	Very high	93	Very high	58 Å²	58	48.2 Å²	48.2	35%	0.352	24%	0.244	S	C	.	.	H	α-helix	trans	-63.2	-45.5	177.7	170.6	0	0	0	0	110.8	L88 D196 V203 D204	L88-V200 HydrophobicContact CD1-CG1 3.94Å; L88-V200 HydrophobicContact CD2-CG1 4.44Å; D196-V200 WeakPolarHBondContact O-CB 3.18Å; D196-V200 VanDerWaalsContact O-CG2 3.28Å; D196-V200 WeakPolarHBondContact O-CG2 3.18Å; D196-V200 PolarHBondContact O-N 3.14Å; V200-V203 PolarHBondContact O-N 3.41Å; V200-D204 WeakPolarHBondContact O-CB 3.43Å; V200-D204 PolarHBondContact O-N 3.18Å
201	K	94.4	Very high	91.4	Very high	65 Å²	65	49.7 Å²	49.7	28%	0.283	26%	0.262	S	S	.	.	H	α-helix	trans	-55.6	-55.1	174	-81	178.8	179	169	0	110.1	R183 E197 V203 D204 D205	R183-K201 PolarHBondContact NH2-O 3.42Å; E197-K201 HydrophobicContact CG-CD 3.97Å; E197-K201 HydrophobicContact CG-CG 4.24Å; E197-K201 WeakPolarHBondContact O-CB 3.28Å; E197-K201 VanDerWaalsContact O-CG 3.25Å; E197-K201 WeakPolarHBondContact O-CG 3.46Å; E197-K201 PolarHBondContact O-N 2.96Å; E197-K201 WeakPolarHBondContact OE1-CE 3.4Å; E197-K201 IonicContact OE1-NZ 3.45Å; E197-K201 PolarHBondContact OE1-NZ 3.28Å; K201-V203 VanDerWaalsContact C-N 3.28Å; K201-V203 PolarHBondContact O-N 3.17Å; K201-D204 WeakPolarHBondContact O-CA 3.32Å; K201-D204 WeakPolarHBondContact O-CB 3.49Å; K201-D204 PolarHBondContact O-N 3.44Å; K201-D205 PolarHBondContact O-N 3.32Å; K201-D205 VanDerWaalsContact O-N 3.1Å
202	L	95.5	Very high	89.5	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-53.9	-46.5	-178.1	-179.9	60.5	0	0	0	111.7	I47 V121 E151 L153 I198 F199 D204 D205 I206	I47-L202 HydrophobicContact CD1-CD2 4.21Å; I47-L202 HydrophobicContact CG1-CD2 4.38Å; I47-L202 HydrophobicContact CG2-CD2 3.96Å; V121-L202 HydrophobicContact CG2-CD2 3.57Å; E151-L202 HydrophobicContact CB-CD1 3.51Å; L153-L202 HydrophobicContact CB-CD1 4.26Å; L153-L202 HydrophobicContact CD2-CB 4.31Å; I198-L202 WeakPolarHBondContact O-CB 3.39Å; I198-L202 PolarHBondContact O-N 3.43Å; I198-L202 VanDerWaalsContact O-N 3.11Å; F199-L202 PolarHBondContact O-N 3.18Å; L202-D204 VanDerWaalsContact C-N 3.34Å; L202-D204 PolarHBondContact O-N 3.01Å; L202-D205 PolarHBondContact O-N 3.04Å; L202-I206 HydrophobicContact CD1-CD1 4.44Å; L202-I206 HydrophobicContact CG-CD1 4.13Å; L202-I206 VanDerWaalsContact O-CG1 3.29Å; L202-I206 WeakPolarHBondContact O-CG1 3.44Å; L202-I206 PolarHBondContact O-N 3.38Å; L202-I206 VanDerWaalsContact O-N 3.15Å
203	V	94.4	Very high	87.4	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-62.3	-40.7	177	174	0	0	0	0	111.5	L45 I47 L88 I93 L95 F199 V200 K201 D205 I206 L207	L45-V203 HydrophobicContact CD1-CG1 3.92Å; L45-V203 HydrophobicContact CD1-CG2 4.38Å; I47-V203 HydrophobicContact CD1-CG2 4.1Å; L88-V203 HydrophobicContact CD2-CB 4.28Å; L88-V203 HydrophobicContact CD2-CG1 3.86Å; I93-V203 HydrophobicContact CD1-CG1 3.64Å; I93-V203 HydrophobicContact CG2-CG1 4.45Å; L95-V203 HydrophobicContact CD1-CG2 3.94Å; L95-V203 HydrophobicContact CD2-CG1 4.49Å; L95-V203 HydrophobicContact CD2-CG2 3.47Å; L95-V203 VanDerWaalsContact CD2-CG2 3.47Å; L95-V203 HydrophobicContact CG-CG2 4.36Å; F199-V203 WeakPolarHBondContact O-CB 3.49Å; F199-V203 WeakPolarHBondContact O-CG2 3.22Å; F199-V203 PolarHBondContact O-N 2.95Å; V200-V203 PolarHBondContact O-N 3.41Å; K201-V203 VanDerWaalsContact C-N 3.28Å; K201-V203 PolarHBondContact O-N 3.17Å; V203-D205 VanDerWaalsContact C-N 3.32Å; V203-D205 PolarHBondContact O-N 2.99Å; V203-I206 PolarHBondContact O-N 3.5Å; V203-L207 HydrophobicContact CG1-CD1 4.11Å; V203-L207 HydrophobicContact CG1-CG 4.29Å; V203-L207 VanDerWaalsContact O-CG 3.27Å; V203-L207 WeakPolarHBondContact O-CG 3.36Å; V203-L207 PolarHBondContact O-N 2.9Å
204	D	93.3	Very high	85.1	Confident	48 Å²	48	54.6 Å²	54.6	26%	0.257	29%	0.289	S	S	.	.	H	α-helix	trans	-61.1	-38.6	178.4	-162.1	60.1	0	0	0	113	L88 R89 V200 K201 L202 L207 S208	L88-D204 HydrophobicContact CD2-CB 3.9Å; R89-D204 IonicContact CZ-OD1 2.75Å; R89-D204 IonicContact CZ-OD2 2.84Å; R89-D204 IonicContact NE-OD1 2.75Å; R89-D204 PolarHBondContact NE-OD1 2.96Å; R89-D204 PolarHBondContact NH2-O 3.08Å; R89-D204 IonicContact NH2-OD1 2.71Å; R89-D204 PolarHBondContact NH2-OD1 3.41Å; R89-D204 IonicContact NH2-OD2 2.6Å; R89-D204 PolarHBondContact NH2-OD2 2.99Å; V200-D204 WeakPolarHBondContact O-CB 3.43Å; V200-D204 PolarHBondContact O-N 3.18Å; K201-D204 WeakPolarHBondContact O-CA 3.32Å; K201-D204 WeakPolarHBondContact O-CB 3.49Å; K201-D204 PolarHBondContact O-N 3.44Å; L202-D204 VanDerWaalsContact C-N 3.34Å; L202-D204 PolarHBondContact O-N 3.01Å; D204-L207 PolarHBondContact O-N 3.24Å; D204-S208 WeakPolarHBondContact O-CB 3.25Å; D204-S208 PolarHBondContact O-N 2.99Å; D204-S208 PolarHBondContact O-OG 2.61Å
205	D	92.3	Very high	82.3	Confident	35 Å²	35	56.5 Å²	56.5	19%	0.187	31%	0.306	C	S	.	.	H	α-helix	trans	-68.8	-43.8	175.8	-82.6	20.4	0	0	0	111.6	E151 R183 K201 L202 V203 L207 S208 K209	E151-D205 HydrophobicContact CG-CB 3.86Å; R183-D205 IonicContact CZ-OD1 3.73Å; R183-D205 IonicContact CZ-OD2 2.8Å; R183-D205 IonicContact NE-OD1 2.82Å; R183-D205 IonicContact NE-OD2 2.79Å; R183-D205 PolarHBondContact NE-OD2 3.07Å; R183-D205 IonicContact NH1-OD1 3.08Å; R183-D205 PolarHBondContact NH1-OD1 3.13Å; R183-D205 IonicContact NH1-OD2 2.96Å; R183-D205 PolarHBondContact NH1-OD2 2.73Å; R183-D205 VanDerWaalsContact NH2-CB 3.33Å; R183-D205 IonicContact NH2-OD1 2.6Å; R183-D205 PolarHBondContact NH2-OD1 3.07Å; R183-D205 IonicContact NH2-OD2 2.93Å; R183-D205 PolarHBondContact NH2-OD2 3.3Å; K201-D205 PolarHBondContact O-N 3.32Å; K201-D205 VanDerWaalsContact O-N 3.1Å; L202-D205 PolarHBondContact O-N 3.04Å; V203-D205 VanDerWaalsContact C-N 3.32Å; V203-D205 PolarHBondContact O-N 2.99Å; D205-L207 VanDerWaalsContact C-N 3.27Å; D205-L207 PolarHBondContact O-N 3.35Å; D205-S208 WeakPolarHBondContact O-CB 3.32Å; D205-S208 PolarHBondContact O-N 3.1Å; D205-K209 PolarHBondContact O-N 3.35Å
206	I	92.4	Very high	79.8	Confident	7 Å²	7	63.3 Å²	63.3	4%	0.036	34%	0.342	C	S	.	.	H	α-helix	trans	-56.6	-47.3	176.9	-65.9	166.4	0	0	0	109.5	L45 K118 E151 L202 V203 S208 K209 M210	L45-I206 HydrophobicContact CD1-CB 4.4Å; L45-I206 HydrophobicContact CD1-CD1 4.37Å; L45-I206 HydrophobicContact CD1-CG2 3.97Å; L45-I206 HydrophobicContact CD2-CG2 3.88Å; K118-I206 HydrophobicContact CB-CD1 4.26Å; K118-I206 HydrophobicContact CB-CG2 4.12Å; K118-I206 WeakPolarHBondContact O-CD1 3.18Å; K118-I206 WeakPolarHBondContact O-CG1 3.11Å; E151-I206 HydrophobicContact CB-CG1 3.82Å; E151-I206 HydrophobicContact CG-CB 4.25Å; E151-I206 HydrophobicContact CG-CG1 3.43Å; E151-I206 VanDerWaalsContact CG-CG1 3.43Å; L202-I206 HydrophobicContact CD1-CD1 4.44Å; L202-I206 HydrophobicContact CG-CD1 4.13Å; L202-I206 VanDerWaalsContact O-CG1 3.29Å; L202-I206 WeakPolarHBondContact O-CG1 3.44Å; L202-I206 PolarHBondContact O-N 3.38Å; L202-I206 VanDerWaalsContact O-N 3.15Å; V203-I206 PolarHBondContact O-N 3.5Å; I206-S208 PolarHBondContact O-N 3.17Å; I206-K209 PolarHBondContact O-N 3.31Å; I206-M210 HydrophobicContact CG2-CE 3.57Å; I206-M210 HydrophobicContact CG2-SD 4.26Å; I206-M210 WeakPolarHBondContact O-CG 3.25Å; I206-M210 PolarHBondContact O-N 3.06Å; I206-M210 VanDerWaalsContact O-N 3.11Å
207	L	90.3	Very high	77.1	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.016	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-25.2	178.1	-66.6	176.6	0	0	0	113.5	L88 I93 V203 D204 D205 K209	L88-L207 HydrophobicContact CB-CD1 4.4Å; L88-L207 HydrophobicContact CD2-CD1 3.95Å; L88-L207 HydrophobicContact CG-CD1 4.38Å; I93-L207 HydrophobicContact CD1-CD1 3.42Å; I93-L207 VanDerWaalsContact CD1-CD1 3.42Å; I93-L207 HydrophobicContact CD1-CD2 4.01Å; I93-L207 HydrophobicContact CD1-CG 4.12Å; V203-L207 HydrophobicContact CG1-CD1 4.11Å; V203-L207 HydrophobicContact CG1-CG 4.29Å; V203-L207 VanDerWaalsContact O-CG 3.27Å; V203-L207 WeakPolarHBondContact O-CG 3.36Å; V203-L207 PolarHBondContact O-N 2.9Å; D204-L207 PolarHBondContact O-N 3.24Å; D205-L207 VanDerWaalsContact C-N 3.27Å; D205-L207 PolarHBondContact O-N 3.35Å; L207-K209 VanDerWaalsContact C-N 3.35Å
208	S	88.8	Confident	74.7	Confident	66 Å²	66	71.6 Å²	71.6	46%	0.462	38%	0.376	S	S	.	.	H	α-helix	trans	-74.4	-28	178	-60.3	0	0	0	0	112.3	R89 D204 D205 I206	R89-S208 PolarHBondContact NH1-OG 2.96Å; R89-S208 PolarHBondContact NH2-OG 3.08Å; D204-S208 WeakPolarHBondContact O-CB 3.25Å; D204-S208 PolarHBondContact O-N 2.99Å; D204-S208 PolarHBondContact O-OG 2.61Å; D205-S208 WeakPolarHBondContact O-CB 3.32Å; D205-S208 PolarHBondContact O-N 3.1Å; I206-S208 PolarHBondContact O-N 3.17Å
209	K	84.6	Confident	72.5	Confident	129 Å²	129	79.4 Å²	79.4	56%	0.561	42%	0.417	S	S	*	.	H	α-helix	trans	-92.1	-18	176.1	-59.4	-162.2	-162.1	157.8	0	113.6	E151 D205 I206 L207 P211	E151-K209 VanDerWaalsContact CD-CE 3.48Å; E151-K209 WeakPolarHBondContact OE1-CD 3.35Å; E151-K209 WeakPolarHBondContact OE1-CE 3.31Å; E151-K209 IonicContact OE1-NZ 2.8Å; E151-K209 PolarHBondContact OE1-NZ 2.95Å; E151-K209 WeakPolarHBondContact OE2-CE 2.97Å; E151-K209 IonicContact OE2-NZ 2.93Å; E151-K209 PolarHBondContact OE2-NZ 2.91Å; D205-K209 PolarHBondContact O-N 3.35Å; I206-K209 PolarHBondContact O-N 3.31Å; L207-K209 VanDerWaalsContact C-N 3.35Å; K209-P211 WeakPolarHBondContact O-CD 3.33Å
210	M	78.7	Confident	70	Confident	51 Å²	51	83.6 Å²	83.6	25%	0.251	45%	0.447	S	S	.	.	S	Bend	trans	-71.4	126.2	173.5	-76	-174.1	178.3	0	0	110.5	L45 K118 I206 L212	L45-M210 HydrophobicContact CD2-CE 3.45Å; L45-M210 VanDerWaalsContact CD2-CE 3.45Å; L45-M210 HydrophobicContact CD2-SD 4.16Å; K118-M210 HydrophobicContact CD-CE 4.43Å; K118-M210 HydrophobicContact CG-CE 4.23Å; I206-M210 HydrophobicContact CG2-CE 3.57Å; I206-M210 HydrophobicContact CG2-SD 4.26Å; I206-M210 WeakPolarHBondContact O-CG 3.25Å; I206-M210 PolarHBondContact O-N 3.06Å; I206-M210 VanDerWaalsContact O-N 3.11Å; M210-L212 PolarHBondContact O-N 3.35Å
211	P	62.3	Low	67.3	Low	114 Å²	114	87.6 Å²	87.6	74%	0.74	47%	0.466	S	S	*	.			trans	-56.9	113.1	169.5	-19.6	30.4	0	0	0	108.4	K209 E213	K209-P211 WeakPolarHBondContact O-CD 3.33Å; P211-E213 PolarHBondContact O-N 3.21Å
212	L	56.1	Low	64.9	Low	97 Å²	97	89.7 Å²	89.7	51%	0.508	49%	0.489	S	S	.	.			trans	-74.9	45.4	175.2	-66.1	174.7	0	0	0	110.8	M210	M210-L212 PolarHBondContact O-N 3.35Å
213	E	49.4	Very low	62.7	Low	172 Å²	172	95.9 Å²	95.9	80%	0.804	53%	0.526	S	S	*	.			trans	-95.4	90.4	169.8	-78.1	-86.9	149.3	0	0	107.3	P211 S215	P211-E213 PolarHBondContact O-N 3.21Å; E213-S215 PolarHBondContact O-N 3.38Å; E213-S215 VanDerWaalsContact O-N 3.08Å
214	V	49.5	Very low	60.5	Low	98 Å²	98	103.1 Å²	103.1	59%	0.594	56%	0.564	S	S	*	*			trans	-70.9	99.4	168	-177.8	0	0	0	0	107.4
215	S	37.7	Very low	57.8	Low	80 Å²	80	106 Å²	106	56%	0.559	59%	0.589	S	S	*	*			trans	-102.2	119.3	156.4	-157.7	0	0	0	0	108.9	E213 K217	E213-S215 PolarHBondContact O-N 3.38Å; E213-S215 VanDerWaalsContact O-N 3.08Å; S215-K217 PolarHBondContact O-N 3.16Å
216	N	42.4	Very low	55.3	Low	144 Å²	144	113.1 Å²	113.1	77%	0.77	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.2	39.4	172	-78.3	-39.1	0	0	0	114
217	K	38.4	Very low	52.9	Low	157 Å²	157	121 Å²	121	68%	0.683	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-13.3	-174	-82.5	-173.3	174.4	179.8	0	115.5	S215	S215-K217 PolarHBondContact O-N 3.16Å
218	E	44.5	Very low	50.5	Low	175 Å²	175	126.7 Å²	126.7	82%	0.818	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	4.9	-180	-65.3	-147.4	152.1	0	0	115.2
219	L	47.7	Very low	48.6	Very low	166 Å²	166	132.2 Å²	132.2	87%	0.869	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-1.2	173.5	-73	169.9	0	0	0	114
220	S	42.3	Very low	46.7	Very low	89 Å²	89	132 Å²	132	62%	0.622	73%	0.729	S	S	*	*	S	Bend	trans	-108.7	-7.6	179.7	63.7	0	0	0	0	115.8
221	N	39.1	Very low	45.1	Very low	141 Å²	141	138.6 Å²	138.6	75%	0.754	76%	0.76	S	S	*	*	S	Bend	trans	-109	8.7	-172.6	-73	0.3	0	0	0	115.5
222	S	42.2	Very low	44.8	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	76%	0.763	S	S	*	*			trans	-98.6	16.4	178.1	-39.1	0	0	0	0	114.7
223	V	50	Low	45	Very low	130 Å²	130	140.1 Å²	140.1	79%	0.788	77%	0.773	S	S	*	*	S	Bend	trans	-98.2	78.5	165.8	-178.1	0	0	0	0	108.4
224	L	47.7	Very low	45.3	Very low	154 Å²	154	137.8 Å²	137.8	81%	0.806	77%	0.773	S	S	*	*	S	Bend	trans	152.2	93.5	147.7	-107.5	83.9	0	0	0	109.8
225	S	36.7	Very low	45.6	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	79%	0.787	S	S	*	*			trans	-175.3	83.5	140.5	19	0	0	0	0	108.4	Q227	S225-Q227 VanDerWaalsContact C-N 3.32Å; S225-Q227 PolarHBondContact O-N 2.78Å
226	L	39.4	Very low	46.5	Very low	183 Å²	183	146.3 Å²	146.3	96%	0.958	80%	0.801	S	S	*	*			trans	-65.3	99.2	157	-70	168.3	0	0	0	106.4
227	Q	43.1	Very low	47.5	Very low	172 Å²	172	144.7 Å²	144.7	80%	0.804	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-83.3	133.2	160.6	-69.4	-167.8	-17	0	0	107.8	S225	S225-Q227 VanDerWaalsContact C-N 3.32Å; S225-Q227 PolarHBondContact O-N 2.78Å
228	P	40.5	Very low	48.5	Very low	124 Å²	124	142.6 Å²	142.6	81%	0.805	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-64.9	143.7	177.2	25.1	-30.2	0	0	0	110.7
229	E	48.8	Very low	49.1	Very low	182 Å²	182	140.2 Å²	140.2	85%	0.85	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-57.9	147.9	175.1	-67.5	-166.2	148.3	0	0	111.4	E231	E229-E231 PolarHBondContact O-N 3.04Å
230	P	44.2	Very low	49.5	Very low	123 Å²	123	143.9 Å²	143.9	80%	0.799	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-68.7	124.2	175.8	27.3	-31.7	0	0	0	110.9	V232	P230-V232 PolarHBondContact O-N 3.19Å
231	E	44.6	Very low	49.7	Very low	190 Å²	190	148.1 Å²	148.1	89%	0.888	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-60.7	125.1	173	-73.9	-179.2	159.2	0	0	111	E229	E229-E231 PolarHBondContact O-N 3.04Å
232	V	56.6	Low	50.1	Low	134 Å²	134	153.2 Å²	153.2	81%	0.812	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-69.7	126.1	170	-178.7	0	0	0	0	108.3	P230	P230-V232 PolarHBondContact O-N 3.19Å
233	P	59.7	Low	50.1	Low	109 Å²	109	153.5 Å²	153.5	71%	0.708	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-63.7	142.4	176.6	-18.1	29.9	0	0	0	111.1	E235	P233-E235 PolarHBondContact O-N 3Å
234	P	56.4	Low	49.9	Very low	124 Å²	124	157.2 Å²	157.2	81%	0.805	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-66.1	133.4	177.7	25.4	-31.9	0	0	0	111.6	L236	P234-L236 PolarHBondContact O-N 3.29Å
235	E	54.6	Low	50	Low	194 Å²	194	157.4 Å²	157.4	91%	0.907	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-56.5	127.9	169.2	-103.8	178.7	147.3	0	0	110.7	P233	P233-E235 PolarHBondContact O-N 3Å
236	L	56.8	Low	50.7	Low	163 Å²	163	159.9 Å²	159.9	85%	0.853	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-70.1	133.9	169.8	-74.1	165.8	0	0	0	109.4	P234	P234-L236 PolarHBondContact O-N 3.29Å
237	P	63.2	Low	51.3	Low	109 Å²	109	158.6 Å²	158.6	71%	0.708	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-65.5	148.4	177.1	26.2	-32.5	0	0	0	111.1
238	P	60.6	Low	51.8	Low	114 Å²	114	157.8 Å²	157.8	74%	0.74	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-64.2	149.4	-177.6	25.3	-33.3	0	0	0	111.8	R240	P238-R240 PolarHBondContact O-N 3.24Å
239	P	56.5	Low	52.5	Low	124 Å²	124	159.9 Å²	159.9	81%	0.805	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-65.2	126.5	-180	26.3	-32.2	0	0	0	110.2	M241	P239-M241 PolarHBondContact O-N 2.53Å; P239-M241 VanDerWaalsContact O-N 3.07Å
240	R	55.9	Low	52.7	Low	244 Å²	244	158.5 Å²	158.5	92%	0.921	86%	0.863	S	S	*	*			trans	-65.8	106.4	171.1	-75.2	-175.9	171.3	-175.4	-2.8	109.2	P238 R242	P238-R240 PolarHBondContact O-N 3.24Å; R240-R242 PolarHBondContact O-N 3.04Å
241	M	46.8	Very low	53.3	Low	178 Å²	178	161 Å²	161	88%	0.877	87%	0.867	S	S	*	*			trans	-61.8	118.4	162.1	-74.7	-158.9	-78.3	0	0	108.7	P239	P239-M241 PolarHBondContact O-N 2.53Å; P239-M241 VanDerWaalsContact O-N 3.07Å
242	R	47.3	Very low	54	Low	248 Å²	248	158.8 Å²	158.8	94%	0.936	87%	0.866	S	S	*	*			trans	-86.4	110	161.8	-75.4	-174	179.5	-143.1	1.8	107.3	R240	R240-R242 PolarHBondContact O-N 3.04Å
243	C	43.1	Very low	53.8	Low	116 Å²	116	160.8 Å²	160.8	78%	0.784	87%	0.87	S	S	*	*			trans	-88.6	131.8	157.6	-70.2	0	0	0	0	107.9
244	C	44.8	Very low	53.3	Low	207 Å²	207	165.5 Å²	165.5	100%	1.399	89%	0.885	S	S	*	*			trans	-71.2	0	153.4	-68	0	0	0	0	109.3

Retrieved 244 of 244 residues in 142.4 ms (Link to these results)

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