A0A5K4FCQ5_SCHMA Loading...

Egg protein

AlphaFold DB , UniProt , Accession A0A5K4FCQ5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 509 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.5	Very low	38.7	Very low	232 Å²	232	157.7 Å²	157.7	100%	1.143	81%	0.812	S	S	*	*				0	114.6	0	-91.4	170.4	172.8	0	0	108.3
2	F	38.2	Very low	38.4	Very low	201 Å²	201	152.7 Å²	152.7	88%	0.882	79%	0.787	S	S	*	*			trans	24.8	103.9	159	-64.6	-87.5	0	0	0	117.7
3	R	34.4	Very low	38.3	Very low	234 Å²	234	155.8 Å²	155.8	88%	0.883	79%	0.791	S	S	*	*				40.9	104.8	68.7	-91.6	-168.8	176.6	-176.6	0.7	115
4	S	40.1	Very low	38	Very low	117 Å²	117	154.4 Å²	154.4	82%	0.818	78%	0.777	S	S	*	*			trans	-160.6	93	153.6	-140.7	0	0	0	0	106.8
5	Q	38.4	Very low	37.7	Very low	166 Å²	166	154.9 Å²	154.9	78%	0.776	77%	0.773	S	S	*	*				45.2	95.8	78.1	-72.8	-89	6	0	0	113.2
6	V	40.3	Very low	37.3	Very low	144 Å²	144	154.6 Å²	154.6	87%	0.873	77%	0.774	S	S	*	*			trans	-146.9	103.4	140.5	-177.4	0	0	0	0	109.4
7	A	37	Very low	37	Very low	74 Å²	74	151.1 Å²	151.1	61%	0.612	76%	0.762	S	S	*	*			trans	29.6	104.4	147.6	0	0	0	0	0	120.2	V9	A7-V9 PolarHBondContact O-N 3.37Å
8	V	40.2	Very low	36.8	Very low	131 Å²	131	154.8 Å²	154.8	79%	0.794	77%	0.766	S	S	*	*			trans	-65.2	114.4	143.4	173.5	0	0	0	0	107	Q10	V8-Q10 VanDerWaalsContact C-N 3.27Å; V8-Q10 PolarHBondContact O-N 3.04Å
9	V	38.7	Very low	36.4	Very low	119 Å²	119	153.5 Å²	153.5	72%	0.721	76%	0.762	S	S	*	*			trans	-71.7	89.2	171.4	177.2	0	0	0	0	107.6	A7 F11	A7-V9 PolarHBondContact O-N 3.37Å; V9-F11 HydrophobicContact CG1-CD2 4.32Å; V9-F11 PolarHBondContact O-N 3.43Å
10	Q	37.5	Very low	36.3	Very low	139 Å²	139	149.4 Å²	149.4	65%	0.65	75%	0.753	S	S	*	*			trans	-77.4	110.3	170.6	-158.4	161.7	-18.9	0	0	106.6	V8 L12	V8-Q10 VanDerWaalsContact C-N 3.27Å; V8-Q10 PolarHBondContact O-N 3.04Å; Q10-L12 HydrophobicContact CB-CG 4.34Å; Q10-L12 HydrophobicContact CG-CD2 4.43Å; Q10-L12 HydrophobicContact CG-CG 4.13Å; Q10-L12 PolarHBondContact O-N 2.96Å
11	F	37.7	Very low	36.2	Very low	178 Å²	178	150.3 Å²	150.3	78%	0.781	76%	0.755	S	S	*	*			trans	-68.5	75.7	170.1	-108.7	-95.7	0	0	0	108.7	V9 F13	V9-F11 HydrophobicContact CG1-CD2 4.32Å; V9-F11 PolarHBondContact O-N 3.43Å; F11-F13 HydrophobicContact CD1-CD2 4.01Å; F11-F13 HydrophobicContact CD1-CE2 4.37Å; F11-F13 HydrophobicContact CE1-CD2 4.29Å; F11-F13 HydrophobicContact CE1-CE2 4.19Å; F11-F13 PolarHBondContact O-N 2.94Å; F11-F13 VanDerWaalsContact O-N 3.14Å
12	L	35.4	Very low	35.8	Very low	97 Å²	97	147.2 Å²	147.2	51%	0.508	74%	0.743	S	S	.	*			trans	-74.3	79.9	162.4	-66.2	161.9	0	0	0	106.9	Q10 F14	Q10-L12 HydrophobicContact CB-CG 4.34Å; Q10-L12 HydrophobicContact CG-CD2 4.43Å; Q10-L12 HydrophobicContact CG-CG 4.13Å; Q10-L12 PolarHBondContact O-N 2.96Å; L12-F14 HydrophobicContact CB-CB 4.3Å; L12-F14 HydrophobicContact CB-CD2 3.96Å; L12-F14 HydrophobicContact CB-CG 4.42Å; L12-F14 HydrophobicContact CD2-CD2 3.11Å; L12-F14 HydrophobicContact CD2-CE2 3.09Å; L12-F14 HydrophobicContact CD2-CG 4.07Å; L12-F14 HydrophobicContact CD2-CZ 4.05Å; L12-F14 HydrophobicContact CG-CD2 4.11Å; L12-F14 HydrophobicContact CG-CE2 4.44Å; L12-F14 PolarHBondContact O-N 3.37Å
13	F	36.4	Very low	35.8	Very low	193 Å²	193	145 Å²	145	85%	0.846	74%	0.736	S	S	*	*			trans	-78.2	66.7	147.9	-100.9	-92.8	0	0	0	106.9	F11	F11-F13 HydrophobicContact CD1-CD2 4.01Å; F11-F13 HydrophobicContact CD1-CE2 4.37Å; F11-F13 HydrophobicContact CE1-CD2 4.29Å; F11-F13 HydrophobicContact CE1-CE2 4.19Å; F11-F13 PolarHBondContact O-N 2.94Å; F11-F13 VanDerWaalsContact O-N 3.14Å
14	F	34.4	Very low	35.9	Very low	136 Å²	136	142 Å²	142	60%	0.596	73%	0.732	S	S	*	*			trans	-73.9	129.2	169.7	-113.6	-120.7	0	0	0	107.5	L12 L16	L12-F14 HydrophobicContact CB-CB 4.3Å; L12-F14 HydrophobicContact CB-CD2 3.96Å; L12-F14 HydrophobicContact CB-CG 4.42Å; L12-F14 HydrophobicContact CD2-CD2 3.11Å; L12-F14 HydrophobicContact CD2-CE2 3.09Å; L12-F14 HydrophobicContact CD2-CG 4.07Å; L12-F14 HydrophobicContact CD2-CZ 4.05Å; L12-F14 HydrophobicContact CG-CD2 4.11Å; L12-F14 HydrophobicContact CG-CE2 4.44Å; L12-F14 PolarHBondContact O-N 3.37Å; F14-L16 PolarHBondContact O-N 3.38Å
15	F	33.2	Very low	35.8	Very low	162 Å²	162	139.7 Å²	139.7	71%	0.711	71%	0.712	S	S	*	*				44.2	65.8	127.6	-70.7	-87.7	0	0	0	117	V17	F15-V17 HydrophobicContact CB-CG2 4.14Å; F15-V17 HydrophobicContact CD1-CG2 4.22Å
16	L	32.3	Very low	35.8	Very low	150 Å²	150	135.6 Å²	135.6	79%	0.785	70%	0.699	S	S	*	*			trans	-91.1	86	140.5	-65.9	168.6	0	0	0	104.4	F14 W18	F14-L16 PolarHBondContact O-N 3.38Å; L16-W18 PolarHBondContact O-N 2.88Å
17	V	31.3	Very low	35.8	Very low	96 Å²	96	131 Å²	131	58%	0.582	68%	0.676	S	S	*	*				23.1	59.8	65	-165	0	0	0	0	111.2	F15 N19	F15-V17 HydrophobicContact CB-CG2 4.14Å; F15-V17 HydrophobicContact CD1-CG2 4.22Å; V17-N19 VanDerWaalsContact CG1-ND2 3.27Å; V17-N19 WeakPolarHBondContact CG1-ND2 3.21Å
18	W	34.6	Very low	36.1	Very low	217 Å²	217	134.2 Å²	134.2	82%	0.822	68%	0.678	S	S	*	*			trans	-90.7	85.7	150.3	-152.6	-63	0	0	0	107.3	L16 A20	L16-W18 PolarHBondContact O-N 2.88Å; W18-A20 PolarHBondContact O-N 3.12Å
19	N	27.7	Very low	36.3	Very low	130 Å²	130	130.1 Å²	130.1	70%	0.695	66%	0.656	S	S	*	*			trans	-57.8	107.5	148.5	-82.4	-74	0	0	0	106.9	V17	V17-N19 VanDerWaalsContact CG1-ND2 3.27Å; V17-N19 WeakPolarHBondContact CG1-ND2 3.21Å
20	A	35.2	Very low	36.4	Very low	71 Å²	71	129.9 Å²	129.9	59%	0.587	65%	0.65	S	S	*	*			trans	-126.6	80.2	153.5	0	0	0	0	0	103.7	W18	W18-A20 PolarHBondContact O-N 3.12Å
21	E	35.1	Very low	36.6	Very low	169 Å²	169	131.2 Å²	131.2	79%	0.79	66%	0.656	S	S	*	*				39.7	84.6	90.7	-110	173.4	174.8	0	0	110.2	Q23	E21-Q23 VanDerWaalsContact C-N 3.34Å; E21-Q23 PolarHBondContact O-N 2.93Å
22	D	33.8	Very low	36.9	Very low	167 Å²	167	124 Å²	124	89%	0.893	63%	0.628	S	S	*	*			trans	6.2	71.9	147.8	-64.9	-42.4	0	0	0	115.8	E24	D22-E24 PolarHBondContact O-N 3Å
23	Q	38.9	Very low	37.1	Very low	155 Å²	155	124.6 Å²	124.6	72%	0.724	64%	0.636	S	S	*	*			trans	-83.8	102	161.3	-80.6	-163.9	-25.2	0	0	108.4	E21 V25	E21-Q23 VanDerWaalsContact C-N 3.34Å; E21-Q23 PolarHBondContact O-N 2.93Å; Q23-V25 PolarHBondContact O-N 3.36Å; Q23-V25 VanDerWaalsContact O-N 3.07Å
24	E	35.9	Very low	37.9	Very low	172 Å²	172	117.9 Å²	117.9	80%	0.804	61%	0.607	S	S	*	*			trans	-33.6	107.6	174.7	-76.4	-178.8	136.9	0	0	112.6	D22 T26	D22-E24 PolarHBondContact O-N 3Å; E24-T26 VanDerWaalsContact C-N 3.32Å; E24-T26 PolarHBondContact O-N 3.34Å
25	V	38.6	Very low	39.1	Very low	68 Å²	68	119.1 Å²	119.1	41%	0.412	61%	0.612	S	S	.	*			trans	-70.7	95.3	159.4	178.8	0	0	0	0	106.4	Q23 A27 Y227	Q23-V25 PolarHBondContact O-N 3.36Å; Q23-V25 VanDerWaalsContact O-N 3.07Å; V25-A27 PolarHBondContact O-N 2.88Å; V25-Y227 HydrophobicContact CB-CE2 4.49Å; V25-Y227 HydrophobicContact CG1-CD2 3.87Å; V25-Y227 HydrophobicContact CG1-CE2 3.82Å; V25-Y227 HydrophobicContact CG2-CD2 4.49Å; V25-Y227 HydrophobicContact CG2-CE2 3.78Å
26	T	38.8	Very low	41.5	Very low	79 Å²	79	114.4 Å²	114.4	49%	0.485	59%	0.594	S	S	.	*			trans	-77.7	88.1	174.1	30.6	0	0	0	0	109.7	E24 Q28	E24-T26 VanDerWaalsContact C-N 3.32Å; E24-T26 PolarHBondContact O-N 3.34Å; T26-Q28 PolarHBondContact O-N 2.56Å
27	A	40.1	Very low	44.1	Very low	49 Å²	49	107.3 Å²	107.3	41%	0.405	56%	0.557	S	S	.	*			trans	-78.7	99	163	0	0	0	0	0	108.5	V25 S29	V25-A27 PolarHBondContact O-N 2.88Å; A27-S29 PolarHBondContact O-N 3.36Å
28	Q	43.4	Very low	46.9	Very low	140 Å²	140	103.4 Å²	103.4	65%	0.654	53%	0.533	S	S	*	.			trans	-83.7	111.3	169.6	-71	-176	-8.8	0	0	108.8	T26	T26-Q28 PolarHBondContact O-N 2.56Å
29	S	42.8	Very low	49.6	Very low	46 Å²	46	93.8 Å²	93.8	32%	0.322	50%	0.498	S	S	.	.			trans	-77.8	118.9	164.2	55.8	0	0	0	0	108.7	A27 Q31	A27-S29 PolarHBondContact O-N 3.36Å; S29-Q31 PolarHBondContact O-N 2.89Å; S29-Q31 VanDerWaalsContact O-N 3.13Å
30	L	42.2	Very low	52.6	Low	113 Å²	113	87.7 Å²	87.7	59%	0.592	47%	0.466	S	S	*	.			trans	-65.6	110.3	160.9	-82	154.9	0	0	0	106.9	S32	L30-S32 PolarHBondContact O-N 3.45Å
31	Q	41.2	Very low	55.4	Low	168 Å²	168	86 Å²	86	79%	0.785	45%	0.448	S	S	*	.	B	Isolated β-bridge	trans	-58.7	112.8	173.4	-84.4	-176.8	-22.6	0	0	108.5	S29	S29-Q31 PolarHBondContact O-N 2.89Å; S29-Q31 VanDerWaalsContact O-N 3.13Å
32	S	43.2	Very low	58.1	Low	27 Å²	27	77.9 Å²	77.9	19%	0.189	41%	0.41	C	S	.	.			trans	-149	133.3	166.2	166	0	0	0	0	108.8	L30 H34 D155 E157	L30-S32 PolarHBondContact O-N 3.45Å; S32-H34 VanDerWaalsContact C-N 3.32Å; S32-H34 PolarHBondContact O-N 3.07Å; S32-D155 PolarHBondContact N-O 2.93Å; S32-D155 CarbonylContact O-C 3.54Å; S32-D155 VanDerWaalsContact O-C 3.24Å; S32-E157 WeakPolarHBondContact CB-OE1 3.47Å; S32-E157 VanDerWaalsContact OG-CG 3.29Å; S32-E157 WeakPolarHBondContact OG-CG 3.19Å; S32-E157 PolarHBondContact OG-OE1 3.37Å
33	T	40.5	Very low	60.9	Low	109 Å²	109	71.4 Å²	71.4	67%	0.669	38%	0.376	S	S	*	.			trans	-77.5	82.1	178.4	53.5	0	0	0	0	109.5	K35	T33-K35 PolarHBondContact O-N 3.14Å
34	H	52.4	Low	63.4	Low	51 Å²	51	64.1 Å²	64.1	24%	0.236	34%	0.341	C	S	.	.			trans	-70.3	92.4	149.9	-96.4	-71.4	0	0	0	107.1	S32 D36	S32-H34 VanDerWaalsContact C-N 3.32Å; S32-H34 PolarHBondContact O-N 3.07Å; H34-D36 PolarHBondContact O-N 3.09Å
35	K	60.9	Low	65.9	Low	163 Å²	163	56.8 Å²	56.8	71%	0.709	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-8.7	178.5	-71.5	-173.9	178.9	179.7	0	113.5	T33	T33-K35 PolarHBondContact O-N 3.14Å
36	D	81.7	Confident	68.1	Low	62 Å²	62	53.9 Å²	53.9	33%	0.332	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-31	-170.1	-54.5	-31.7	0	0	0	112.2	H34 L109 S110	H34-D36 PolarHBondContact O-N 3.09Å; D36-L109 HydrophobicContact CB-CD2 4.33Å; D36-L109 CarbonylContact O-C 3.57Å; D36-L109 WeakPolarHBondContact O-CA 3.04Å; D36-S110 WeakPolarHBondContact O-CB 3.45Å; D36-S110 PolarHBondContact O-N 3.18Å; D36-S110 PolarHBondContact O-OG 2.99Å
37	I	87.1	Confident	70	Confident	2 Å²	2	54 Å²	54	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124	-177.8	-53.3	174	0	0	0	110.1	A107 L108 L109 L154 Y211 L212 M215	I37-A107 HydrophobicContact CG2-CB 4.41Å; I37-L108 WeakPolarHBondContact CA-O 3.17Å; I37-L109 HydrophobicContact CG1-CD2 3.89Å; I37-L154 HydrophobicContact CB-CB 4.37Å; I37-L154 HydrophobicContact CG2-CB 4.26Å; I37-L154 HydrophobicContact CG2-CD2 4.48Å; I37-L154 PolarHBondContact O-N 2.87Å; I37-Y211 HydrophobicContact CD1-CD1 3.61Å; I37-Y211 HydrophobicContact CD1-CE1 3.93Å; I37-Y211 HydrophobicContact CG2-CE1 4.26Å; I37-L212 HydrophobicContact CD1-CB 4.12Å; I37-L212 HydrophobicContact CD1-CD1 3.9Å; I37-L212 HydrophobicContact CG1-CD1 4.12Å; I37-M215 HydrophobicContact CD1-CE 4.31Å; I37-M215 HydrophobicContact CG1-CE 4.11Å
38	V	90.3	Very high	71.6	Confident	13 Å²	13	56.5 Å²	56.5	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143	170.7	-72	0	0	0	0	110.4	A107 L108 S110 W122 P151 K152	V38-A107 WeakPolarHBondContact O-CA 3.2Å; V38-L108 HydrophobicContact CG2-CB 4.06Å; V38-L108 PolarHBondContact N-O 3.44Å; V38-L108 PolarHBondContact O-N 2.88Å; V38-S110 WeakPolarHBondContact CG1-OG 3.2Å; V38-S110 WeakPolarHBondContact CG2-OG 3.15Å; V38-W122 HydrophobicContact CG2-CH2 3.89Å; V38-W122 HydrophobicContact CG2-CZ2 4.11Å; V38-P151 HydrophobicContact CB-CB 3.94Å; V38-P151 HydrophobicContact CG1-CB 4.41Å; V38-P151 HydrophobicContact CG2-CB 4.21Å; V38-K152 CarbonylContact C-O 3.28Å; V38-K152 WeakPolarHBondContact CA-O 3.06Å
39	V	91.1	Very high	73	Confident	16 Å²	16	51.3 Å²	51.3	10%	0.097	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	128.9	177.1	-176.8	0	0	0	0	108.8	E105 L106 A107 P151 K152 L154	V39-E105 HydrophobicContact CG1-CB 4.04Å; V39-L106 WeakPolarHBondContact CA-O 3.06Å; V39-A107 HydrophobicContact CG2-CB 4.22Å; V39-P151 WeakPolarHBondContact O-CA 3.3Å; V39-K152 PolarHBondContact N-O 2.92Å; V39-K152 PolarHBondContact O-N 3.44Å; V39-L154 HydrophobicContact CG2-CB 4.45Å; V39-L154 HydrophobicContact CG2-CD1 4.46Å
40	T	92	Very high	74.2	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	149	169.5	178	0	0	0	0	109.3	L42 L106 L108 V148 S149	T40-L42 HydrophobicContact CG2-CD2 4.41Å; T40-L106 HydrophobicContact CG2-CB 3.92Å; T40-L106 HydrophobicContact CG2-CD2 4.17Å; T40-L106 HydrophobicContact CG2-CG 4.4Å; T40-L106 PolarHBondContact N-O 2.97Å; T40-L106 PolarHBondContact O-N 3.12Å; T40-L108 HydrophobicContact CG2-CD1 3.93Å; T40-V148 HydrophobicContact CG2-CG1 4.45Å; T40-V148 VanDerWaalsContact OG1-CG1 3.32Å; T40-V148 WeakPolarHBondContact OG1-CG1 3.03Å; T40-S149 PolarHBondContact OG1-O 2.97Å
41	T	93.2	Very high	75.3	Confident	35 Å²	35	51 Å²	51	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	121.9	174.1	-54.1	0	0	0	0	109	N103 V104 S149	T41-N103 HydrophobicContact CG2-CB 3.79Å; T41-V104 CarbonylContact C-O 3.56Å; T41-V104 WeakPolarHBondContact CA-O 3.25Å; T41-S149 PolarHBondContact N-OG 3.41Å; T41-S149 PolarHBondContact O-N 3.23Å
42	L	92.9	Very high	76.4	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.7	170	-48.6	179	0	0	0	108.4	T40 V44 V72 V76 N103 V104 L106 L130 V148	T40-L42 HydrophobicContact CG2-CD2 4.41Å; L42-V44 HydrophobicContact CB-CG2 3.83Å; L42-V72 HydrophobicContact CD1-CG1 3.93Å; L42-V76 HydrophobicContact CD1-CG2 3.97Å; L42-N103 WeakPolarHBondContact O-CA 3.41Å; L42-V104 HydrophobicContact CB-CB 4.31Å; L42-V104 PolarHBondContact N-O 3.12Å; L42-V104 PolarHBondContact O-N 3.14Å; L42-L106 HydrophobicContact CD1-CB 4.22Å; L42-L106 HydrophobicContact CD1-CD2 4.24Å; L42-L106 HydrophobicContact CG-CB 4.28Å; L42-L130 HydrophobicContact CD2-CD1 4.14Å; L42-V148 HydrophobicContact CD2-CB 4.25Å; L42-V148 HydrophobicContact CD2-CG1 3.85Å; L42-V148 HydrophobicContact CD2-CG2 3.68Å
43	N	91.9	Very high	77.5	Confident	31 Å²	31	46.1 Å²	46.1	17%	0.166	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	108.2	168.5	-168.1	-4.4	0	0	0	108	T101 I146 S147	N43-T101 WeakPolarHBondContact OD1-CB 3.18Å; N43-T101 PolarHBondContact OD1-OG1 3.02Å; N43-I146 HydrophobicContact CB-CB 4.44Å; N43-I146 PolarHBondContact O-N 3.03Å; N43-S147 VanDerWaalsContact CB-OG 3.27Å; N43-S147 WeakPolarHBondContact CB-OG 3.04Å; N43-S147 PolarHBondContact N-O 3.46Å
44	V	90.6	Very high	78.3	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.2	-169.1	-174.5	0	0	0	0	109.4	L42 Y68 T101 I102 V104 I142	L42-V44 HydrophobicContact CB-CG2 3.83Å; V44-Y68 WeakPolarHBondContact CG1-OH 3.27Å; V44-T101 VanDerWaalsContact O-CA 3.31Å; V44-T101 WeakPolarHBondContact O-CA 3.14Å; V44-I102 HydrophobicContact CB-CG1 4.16Å; V44-I102 PolarHBondContact N-O 3.28Å; V44-I102 PolarHBondContact O-N 3.07Å; V44-V104 HydrophobicContact CB-CG2 4.31Å; V44-V104 HydrophobicContact CG2-CB 4.32Å; V44-V104 HydrophobicContact CG2-CG2 3.78Å; V44-I142 HydrophobicContact CG1-CB 4.18Å; V44-I142 HydrophobicContact CG1-CD1 4.37Å; V44-I142 HydrophobicContact CG1-CG1 3.89Å; V44-I142 HydrophobicContact CG1-CG2 3.4Å; V44-I142 VanDerWaalsContact CG1-CG2 3.4Å
45	S	89	Confident	78.3	Confident	18 Å²	18	51.9 Å²	51.9	13%	0.126	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	136.4	175	-172.6	0	0	0	0	110.5	I142 T143 D144	S45-I142 WeakPolarHBondContact O-CA 3.48Å; S45-T143 WeakPolarHBondContact CB-OG1 3.04Å; S45-T143 PolarHBondContact O-N 2.82Å; S45-T143 PolarHBondContact O-OG1 3.18Å; S45-T143 PolarHBondContact OG-OG1 3.16Å; S45-D144 PolarHBondContact N-O 3.49Å
46	T	85.1	Confident	78	Confident	8 Å²	8	47.8 Å²	47.8	5%	0.049	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	150	-173.3	56.4	0	0	0	0	114.7	W49 Y68 E100 I102 W141	T46-W49 HydrophobicContact CG2-CE3 4.34Å; T46-Y68 HydrophobicContact CG2-CE2 3.7Å; T46-Y68 WeakPolarHBondContact CG2-OH 3Å; T46-E100 PolarHBondContact N-O 3.48Å; T46-E100 PolarHBondContact OG1-O 2.97Å; T46-I102 HydrophobicContact CG2-CD1 4.13Å; T46-I102 HydrophobicContact CG2-CG1 4.08Å; T46-W141 CarbonylContact C-O 3.02Å; T46-W141 WeakPolarHBondContact CA-O 2.87Å
47	I	79.3	Confident	76.3	Confident	82 Å²	82	53.6 Å²	53.6	42%	0.421	27%	0.267	S	S	.	.	S	Bend	trans	-96.1	132.1	164.4	-40.6	-176.9	0	0	0	107.8	W49 W141 T143	I47-W49 VanDerWaalsContact C-N 3.29Å; I47-W49 PolarHBondContact O-N 3.34Å; I47-W49 VanDerWaalsContact O-N 3.12Å; I47-W141 PolarHBondContact N-O 2.87Å; I47-T143 HydrophobicContact CD1-CG2 3.63Å; I47-T143 HydrophobicContact CG1-CG2 3.28Å
48	D	71.8	Confident	74.5	Confident	101 Å²	101	56.7 Å²	56.7	54%	0.54	29%	0.285	S	S	.	.	S	Bend	trans	54.8	33.4	166.6	-56.8	-33.9	0	0	0	115.8	D50 E51 I52	D48-D50 PolarHBondContact O-N 2.71Å; D48-E51 HydrophobicContact CB-CB 3.99Å; D48-E51 WeakPolarHBondContact O-CB 3.22Å; D48-E51 PolarHBondContact O-N 3.03Å; D48-I52 PolarHBondContact O-N 3.19Å
49	W	72.9	Confident	72.7	Confident	30 Å²	30	64.6 Å²	64.6	11%	0.114	32%	0.321	C	S	.	.	H	α-helix	trans	-50.2	-43.2	176.3	178	-93.2	0	0	0	112.5	T46 I47 E51 I52 I53 L65 Y68 I92 I102	T46-W49 HydrophobicContact CG2-CE3 4.34Å; I47-W49 VanDerWaalsContact C-N 3.29Å; I47-W49 PolarHBondContact O-N 3.34Å; I47-W49 VanDerWaalsContact O-N 3.12Å; W49-E51 VanDerWaalsContact C-N 3.33Å; W49-E51 PolarHBondContact O-N 2.57Å; W49-I52 PolarHBondContact O-N 2.94Å; W49-I53 HydrophobicContact CD2-CG1 4.26Å; W49-I53 HydrophobicContact CH2-CD1 4.44Å; W49-I53 HydrophobicContact CZ2-CD1 3.95Å; W49-I53 HydrophobicContact CZ2-CG1 3.88Å; W49-I53 PolarHBondContact O-N 2.72Å; W49-L65 HydrophobicContact CH2-CD2 3.84Å; W49-L65 HydrophobicContact CZ2-CD2 3.92Å; W49-Y68 AromaticContact CE3-CD2 3.82Å; W49-Y68 HydrophobicContact CE3-CD2 3.82Å; W49-Y68 AromaticContact CE3-CE2 3.7Å; W49-Y68 HydrophobicContact CE3-CE2 3.7Å; W49-Y68 HydrophobicContact CE3-CG 4.42Å; W49-Y68 HydrophobicContact CH2-CD1 4.49Å; W49-Y68 HydrophobicContact CH2-CD2 4.43Å; W49-Y68 HydrophobicContact CH2-CG 4.25Å; W49-Y68 AromaticContact CZ3-CD1 3.86Å; W49-Y68 HydrophobicContact CZ3-CD1 3.86Å; W49-Y68 AromaticContact CZ3-CD2 3.32Å; W49-Y68 HydrophobicContact CZ3-CD2 3.32Å; W49-Y68 HydrophobicContact CZ3-CE1 4.05Å; W49-Y68 AromaticContact CZ3-CE2 3.53Å; W49-Y68 HydrophobicContact CZ3-CE2 3.53Å; W49-Y68 AromaticContact CZ3-CG 3.49Å; W49-Y68 HydrophobicContact CZ3-CG 3.49Å; W49-Y68 VanDerWaalsContact CZ3-CG 3.49Å; W49-Y68 AromaticContact CZ3-CZ 3.89Å; W49-I92 HydrophobicContact CH2-CD1 3.91Å; W49-I92 HydrophobicContact CH2-CG2 4.02Å; W49-I92 HydrophobicContact CZ2-CG2 4.4Å; W49-I92 HydrophobicContact CZ3-CD1 4.39Å; W49-I102 HydrophobicContact CD2-CD1 4.47Å; W49-I102 HydrophobicContact CD2-CG2 3.86Å; W49-I102 HydrophobicContact CE3-CD1 3.7Å; W49-I102 HydrophobicContact CE3-CG2 4.08Å; W49-I102 HydrophobicContact CG-CG2 4.19Å; W49-I102 HydrophobicContact CH2-CD1 3.75Å; W49-I102 HydrophobicContact CZ2-CD1 4.49Å; W49-I102 HydrophobicContact CZ3-CD1 3.27Å; W49-I102 HydrophobicContact CZ3-CG2 4.47Å
50	D	69.7	Low	71	Confident	58 Å²	58	68.3 Å²	68.3	31%	0.31	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-39.9	179.1	-68.6	-28.4	0	0	0	112.2	D48 I52 I53 E54 R97	D48-D50 PolarHBondContact O-N 2.71Å; D50-I52 PolarHBondContact O-N 3.42Å; D50-I53 PolarHBondContact O-N 3.19Å; D50-E54 WeakPolarHBondContact O-CB 3.05Å; D50-E54 WeakPolarHBondContact O-CG 3.44Å; D50-E54 PolarHBondContact O-N 3.43Å; D50-R97 IonicContact OD1-CZ 3.23Å; D50-R97 VanDerWaalsContact OD1-CZ 3.23Å; D50-R97 IonicContact OD1-NH1 2.57Å; D50-R97 PolarHBondContact OD1-NH1 3.39Å; D50-R97 IonicContact OD1-NH2 3.42Å; D50-R97 PolarHBondContact OD1-NH2 2.95Å; D50-R97 IonicContact OD2-CZ 3.28Å; D50-R97 VanDerWaalsContact OD2-CZ 3.28Å; D50-R97 IonicContact OD2-NH1 3.03Å; D50-R97 PolarHBondContact OD2-NH1 3.33Å; D50-R97 IonicContact OD2-NH2 2.71Å; D50-R97 PolarHBondContact OD2-NH2 2.85Å
51	E	65	Low	69.6	Low	94 Å²	94	69.8 Å²	69.8	44%	0.439	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-29.6	179.2	-161	178.9	-166.5	0	0	111.5	D48 W49 K55	D48-E51 HydrophobicContact CB-CB 3.99Å; D48-E51 WeakPolarHBondContact O-CB 3.22Å; D48-E51 PolarHBondContact O-N 3.03Å; W49-E51 VanDerWaalsContact C-N 3.33Å; W49-E51 PolarHBondContact O-N 2.57Å; E51-K55 VanDerWaalsContact CD-NZ 3.27Å; E51-K55 HydrophobicContact CG-CD 3.89Å; E51-K55 HydrophobicContact CG-CG 4.41Å; E51-K55 WeakPolarHBondContact O-CB 2.92Å; E51-K55 WeakPolarHBondContact O-CD 3.12Å; E51-K55 WeakPolarHBondContact O-CG 3.28Å; E51-K55 PolarHBondContact O-N 2.89Å; E51-K55 VanDerWaalsContact OE1-CE 3.3Å; E51-K55 WeakPolarHBondContact OE1-CE 3.12Å; E51-K55 IonicContact OE1-NZ 2.56Å; E51-K55 PolarHBondContact OE1-NZ 2.88Å
52	I	63.4	Low	68.9	Low	35 Å²	35	68.1 Å²	68.1	18%	0.179	34%	0.338	C	S	.	.	H	α-helix	trans	-80.8	-39.1	-179.7	-59.6	171.8	0	0	0	111.4	D48 W49 D50 N56 W141	D48-I52 PolarHBondContact O-N 3.19Å; W49-I52 PolarHBondContact O-N 2.94Å; D50-I52 PolarHBondContact O-N 3.42Å; I52-N56 PolarHBondContact O-ND2 2.84Å; I52-W141 HydrophobicContact CD1-CB 4.48Å; I52-W141 HydrophobicContact CD1-CD2 3.82Å; I52-W141 HydrophobicContact CD1-CG 3.74Å; I52-W141 HydrophobicContact CD1-CZ2 4.38Å
53	I	65.9	Low	68.3	Low	59 Å²	59	72.1 Å²	72.1	30%	0.303	36%	0.359	S	S	.	.	H	α-helix	trans	-81.9	-44.8	-179.4	-60.1	-58.2	0	0	0	111.1	W49 D50 N56 P64 L65	W49-I53 HydrophobicContact CD2-CG1 4.26Å; W49-I53 HydrophobicContact CH2-CD1 4.44Å; W49-I53 HydrophobicContact CZ2-CD1 3.95Å; W49-I53 HydrophobicContact CZ2-CG1 3.88Å; W49-I53 PolarHBondContact O-N 2.72Å; D50-I53 PolarHBondContact O-N 3.19Å; I53-N56 CarbonylContact O-C 3.55Å; I53-N56 PolarHBondContact O-N 2.91Å; I53-P64 HydrophobicContact CD1-CB 4.11Å; I53-L65 HydrophobicContact CD1-CD2 4.11Å
54	E	57.5	Low	67.7	Low	140 Å²	140	71.3 Å²	71.3	65%	0.654	36%	0.356	S	S	*	.	H	α-helix	trans	-71.1	-33.6	-177.3	-66.1	-174.7	164.7	0	0	112.9	D50 N56	D50-E54 WeakPolarHBondContact O-CB 3.05Å; D50-E54 WeakPolarHBondContact O-CG 3.44Å; D50-E54 PolarHBondContact O-N 3.43Å; E54-N56 PolarHBondContact O-N 2.92Å
55	K	53.5	Low	67.4	Low	141 Å²	141	71.5 Å²	71.5	61%	0.613	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-20.6	174.8	-74.7	-177.1	-179.6	171.6	0	113.3	E51 E57	E51-K55 VanDerWaalsContact CD-NZ 3.27Å; E51-K55 HydrophobicContact CG-CD 3.89Å; E51-K55 HydrophobicContact CG-CG 4.41Å; E51-K55 WeakPolarHBondContact O-CB 2.92Å; E51-K55 WeakPolarHBondContact O-CD 3.12Å; E51-K55 WeakPolarHBondContact O-CG 3.28Å; E51-K55 PolarHBondContact O-N 2.89Å; E51-K55 VanDerWaalsContact OE1-CE 3.3Å; E51-K55 WeakPolarHBondContact OE1-CE 3.12Å; E51-K55 IonicContact OE1-NZ 2.56Å; E51-K55 PolarHBondContact OE1-NZ 2.88Å; K55-E57 PolarHBondContact O-N 2.95Å
56	N	53.5	Low	67.2	Low	77 Å²	77	73 Å²	73	41%	0.412	36%	0.363	S	S	.	.	S	Bend	trans	-98.4	73.1	173.2	-67	-50.4	0	0	0	107.7	I52 I53 E54 V58 P64	I52-N56 PolarHBondContact O-ND2 2.84Å; I53-N56 CarbonylContact O-C 3.55Å; I53-N56 PolarHBondContact O-N 2.91Å; E54-N56 PolarHBondContact O-N 2.92Å; N56-V58 PolarHBondContact O-N 2.87Å; N56-P64 HydrophobicContact CB-CG 4.08Å
57	E	45.5	Very low	67.2	Low	184 Å²	184	80.2 Å²	80.2	86%	0.86	39%	0.389	S	S	*	.			trans	-57.8	41.9	177	-75.5	-168.6	147.3	0	0	114.7	K55	K55-E57 PolarHBondContact O-N 2.95Å
58	V	49.7	Very low	67.5	Low	66 Å²	66	76.5 Å²	76.5	40%	0.4	37%	0.37	S	S	.	.			trans	-135.3	91	-176.8	-163.4	0	0	0	0	105.9	N56 Q60 S61	N56-V58 PolarHBondContact O-N 2.87Å; V58-Q60 HydrophobicContact CG1-CB 3.42Å; V58-Q60 VanDerWaalsContact CG1-CB 3.42Å; V58-Q60 HydrophobicContact CG1-CG 3.45Å; V58-Q60 VanDerWaalsContact CG1-CG 3.45Å; V58-Q60 PolarHBondContact O-N 2.62Å; V58-S61 PolarHBondContact O-N 2.98Å
59	E	52.2	Low	68.4	Low	179 Å²	179	72.1 Å²	72.1	84%	0.836	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-41.6	-8.8	156.3	-116.8	-179.1	171	0	0	113.2	R228	E59-R228 PolarHBondContact O-NH2 3.45Å
60	Q	55.9	Low	69.1	Low	95 Å²	95	76.9 Å²	76.9	44%	0.444	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-12.8	-178.2	-26.6	177.8	-9.6	0	0	114.7	V58 W232	V58-Q60 HydrophobicContact CG1-CB 3.42Å; V58-Q60 VanDerWaalsContact CG1-CB 3.42Å; V58-Q60 HydrophobicContact CG1-CG 3.45Å; V58-Q60 VanDerWaalsContact CG1-CG 3.45Å; V58-Q60 PolarHBondContact O-N 2.62Å; Q60-W232 HydrophobicContact CB-CD2 3.96Å; Q60-W232 HydrophobicContact CB-CE3 4.18Å; Q60-W232 HydrophobicContact CB-CH2 3.73Å; Q60-W232 HydrophobicContact CB-CZ2 3.47Å; Q60-W232 VanDerWaalsContact CB-CZ2 3.47Å; Q60-W232 HydrophobicContact CB-CZ3 4.07Å; Q60-W232 HydrophobicContact CG-CH2 3.39Å; Q60-W232 HydrophobicContact CG-CZ2 3.49Å; Q60-W232 VanDerWaalsContact CG-CZ2 3.49Å; Q60-W232 HydrophobicContact CG-CZ3 3.97Å
61	S	62.6	Low	70	Confident	32 Å²	32	75.8 Å²	75.8	22%	0.224	36%	0.363	C	S	.	.			trans	-104.8	112.1	-175.3	96.5	0	0	0	0	112.1	V58 P64	V58-S61 PolarHBondContact O-N 2.98Å; S61-P64 WeakPolarHBondContact O-CD 3.3Å; S61-P64 VanDerWaalsContact OG-CD 3.29Å; S61-P64 WeakPolarHBondContact OG-CD 3.3Å
62	L	79.6	Confident	71.3	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	34%	0.343	C	S	.	.			trans	-79.7	-8.2	170.1	-71.6	166.5	0	0	0	112.2	P64 L65 D66 Y186 N225 R228 R229	L62-P64 VanDerWaalsContact C-CD 3.48Å; L62-L65 HydrophobicContact CD2-CD1 4.05Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.45Å; L62-L65 VanDerWaalsContact O-N 3.08Å; L62-D66 PolarHBondContact O-N 3.45Å; L62-Y186 HydrophobicContact CD1-CE1 4.39Å; L62-N225 HydrophobicContact CD2-CB 4.17Å; L62-R228 HydrophobicContact CD1-CB 3.91Å; L62-R228 VanDerWaalsContact CD2-NH1 3.28Å; L62-R228 HydrophobicContact CG-CB 4.47Å; L62-R229 HydrophobicContact CD1-CB 4.3Å; L62-R229 HydrophobicContact CD1-CG 3.24Å
63	N	79.3	Confident	72.6	Confident	84 Å²	84	70.7 Å²	70.7	45%	0.449	34%	0.339	S	S	.	.	H	α-helix	trans	-56.3	-39.9	-176.5	-63.1	-17.4	0	0	0	114	R67	N63-R67 WeakPolarHBondContact O-CB 3.37Å; N63-R67 PolarHBondContact O-N 3.2Å
64	P	79.9	Confident	73.9	Confident	14 Å²	14	71.6 Å²	71.6	9%	0.091	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-42.7	175.3	-22.7	35.5	0	0	0	112.1	I53 N56 S61 L62 R67 Y68	I53-P64 HydrophobicContact CD1-CB 4.11Å; N56-P64 HydrophobicContact CB-CG 4.08Å; S61-P64 WeakPolarHBondContact O-CD 3.3Å; S61-P64 VanDerWaalsContact OG-CD 3.29Å; S61-P64 WeakPolarHBondContact OG-CD 3.3Å; L62-P64 VanDerWaalsContact C-CD 3.48Å; P64-R67 PolarHBondContact O-N 3.03Å; P64-Y68 WeakPolarHBondContact O-CB 3.05Å; P64-Y68 PolarHBondContact O-N 3.17Å
65	L	84.4	Confident	75.5	Confident	4 Å²	4	66 Å²	66	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-64.9	-44.5	177.2	-59.6	-177.6	0	0	0	111.3	W49 I53 L62 R67 Y68 C69 I92 E94	W49-L65 HydrophobicContact CH2-CD2 3.84Å; W49-L65 HydrophobicContact CZ2-CD2 3.92Å; I53-L65 HydrophobicContact CD1-CD2 4.11Å; L62-L65 HydrophobicContact CD2-CD1 4.05Å; L62-L65 WeakPolarHBondContact O-CB 3.46Å; L62-L65 PolarHBondContact O-N 3.45Å; L62-L65 VanDerWaalsContact O-N 3.08Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3Å; L65-Y68 PolarHBondContact O-N 3.18Å; L65-C69 VanDerWaalsContact O-CB 3.3Å; L65-C69 WeakPolarHBondContact O-CB 3.13Å; L65-C69 PolarHBondContact O-N 2.79Å; L65-I92 HydrophobicContact CB-CD1 4.39Å; L65-I92 HydrophobicContact CD2-CB 4.32Å; L65-I92 HydrophobicContact CD2-CD1 4.25Å; L65-I92 HydrophobicContact CD2-CG2 4.42Å; L65-E94 HydrophobicContact CD1-CG 3.98Å
66	D	85.3	Confident	77.4	Confident	50 Å²	50	59.2 Å²	59.2	27%	0.267	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-41.8	177	-69.6	-23.3	0	0	0	111.3	L62 K70 R229	L62-D66 PolarHBondContact O-N 3.45Å; D66-K70 WeakPolarHBondContact O-CB 3.29Å; D66-K70 PolarHBondContact O-N 3.45Å; D66-R229 IonicContact OD1-CZ 3.42Å; D66-R229 IonicContact OD1-NH2 3.64Å; D66-R229 PolarHBondContact OD1-NH2 2.9Å; D66-R229 IonicContact OD2-NH2 2.65Å
67	R	84	Confident	79.2	Confident	159 Å²	159	59.1 Å²	59.1	60%	0.6	28%	0.284	S	S	*	.	H	α-helix	trans	-67.7	-41	177.9	-167.8	-174.7	-72.2	173.8	4.7	111.6	N63 P64 L65 K70 N71 W141	N63-R67 WeakPolarHBondContact O-CB 3.37Å; N63-R67 PolarHBondContact O-N 3.2Å; P64-R67 PolarHBondContact O-N 3.03Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3Å; R67-K70 WeakPolarHBondContact O-CB 2.98Å; R67-K70 PolarHBondContact O-N 3.26Å; R67-N71 PolarHBondContact O-N 3.36Å; R67-N71 VanDerWaalsContact O-N 3.07Å; R67-N71 PolarHBondContact O-OD1 3.06Å; R67-W141 HydrophobicContact CB-CH2 4.33Å; R67-W141 HydrophobicContact CB-CZ3 4.49Å; R67-W141 VanDerWaalsContact CD-CH2 3.45Å; R67-W141 HydrophobicContact CG-CH2 3.67Å; R67-W141 HydrophobicContact CG-CZ3 4.1Å
68	Y	86.3	Confident	81.4	Confident	4 Å²	4	53.1 Å²	53.1	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-45.4	176.7	-172.3	-76.4	0	0	0	111.4	V44 T46 W49 P64 L65 K70 N71 V72 I92 I102 V104 W141 I142	V44-Y68 WeakPolarHBondContact CG1-OH 3.27Å; T46-Y68 HydrophobicContact CG2-CE2 3.7Å; T46-Y68 WeakPolarHBondContact CG2-OH 3Å; W49-Y68 AromaticContact CE3-CD2 3.82Å; W49-Y68 HydrophobicContact CE3-CD2 3.82Å; W49-Y68 AromaticContact CE3-CE2 3.7Å; W49-Y68 HydrophobicContact CE3-CE2 3.7Å; W49-Y68 HydrophobicContact CE3-CG 4.42Å; W49-Y68 HydrophobicContact CH2-CD1 4.49Å; W49-Y68 HydrophobicContact CH2-CD2 4.43Å; W49-Y68 HydrophobicContact CH2-CG 4.25Å; W49-Y68 AromaticContact CZ3-CD1 3.86Å; W49-Y68 HydrophobicContact CZ3-CD1 3.86Å; W49-Y68 AromaticContact CZ3-CD2 3.32Å; W49-Y68 HydrophobicContact CZ3-CD2 3.32Å; W49-Y68 HydrophobicContact CZ3-CE1 4.05Å; W49-Y68 AromaticContact CZ3-CE2 3.53Å; W49-Y68 HydrophobicContact CZ3-CE2 3.53Å; W49-Y68 AromaticContact CZ3-CG 3.49Å; W49-Y68 HydrophobicContact CZ3-CG 3.49Å; W49-Y68 VanDerWaalsContact CZ3-CG 3.49Å; W49-Y68 AromaticContact CZ3-CZ 3.89Å; P64-Y68 WeakPolarHBondContact O-CB 3.05Å; P64-Y68 PolarHBondContact O-N 3.17Å; L65-Y68 PolarHBondContact O-N 3.18Å; Y68-K70 VanDerWaalsContact C-N 3.26Å; Y68-K70 PolarHBondContact O-N 3.27Å; Y68-N71 WeakPolarHBondContact O-CA 3.21Å; Y68-N71 WeakPolarHBondContact O-CB 3.24Å; Y68-N71 PolarHBondContact O-N 3.42Å; Y68-V72 HydrophobicContact CD1-CG2 3.63Å; Y68-V72 HydrophobicContact CE1-CG2 3.23Å; Y68-V72 WeakPolarHBondContact O-CG2 3.24Å; Y68-V72 PolarHBondContact O-N 3.27Å; Y68-I92 HydrophobicContact CD1-CD1 3.33Å; Y68-I92 HydrophobicContact CD1-CG1 4.43Å; Y68-I92 HydrophobicContact CE1-CD1 4.22Å; Y68-I92 HydrophobicContact CG-CD1 3.88Å; Y68-I102 HydrophobicContact CD1-CD1 3.94Å; Y68-I102 HydrophobicContact CE1-CD1 3.21Å; Y68-I102 HydrophobicContact CE1-CG1 4.34Å; Y68-I102 HydrophobicContact CE2-CD1 4.1Å; Y68-I102 VanDerWaalsContact OH-CD1 3.29Å; Y68-I102 WeakPolarHBondContact OH-CD1 3.07Å; Y68-V104 HydrophobicContact CE1-CG2 4.19Å; Y68-W141 HydrophobicContact CD2-CB 4.34Å; Y68-W141 HydrophobicContact CD2-CD2 4.31Å; Y68-W141 AromaticContact CD2-CE3 3.45Å; Y68-W141 HydrophobicContact CD2-CE3 3.45Å; Y68-W141 VanDerWaalsContact CD2-CE3 3.45Å; Y68-W141 HydrophobicContact CD2-CZ3 4.1Å; Y68-W141 HydrophobicContact CE2-CB 3.96Å; Y68-W141 HydrophobicContact CE2-CE3 4.19Å; Y68-W141 HydrophobicContact CG-CE3 4.15Å; Y68-W141 HydrophobicContact CG-CZ3 4.44Å; Y68-I142 HydrophobicContact CE2-CG1 4.28Å; Y68-I142 WeakPolarHBondContact OH-CG1 3.34Å
69	C	89.6	Confident	83.4	Confident	10 Å²	10	51.6 Å²	51.6	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-57.5	-41.6	175.5	176.9	0	0	0	0	111.8	L65 N71 V72 L73 C90 I92	L65-C69 VanDerWaalsContact O-CB 3.3Å; L65-C69 WeakPolarHBondContact O-CB 3.13Å; L65-C69 PolarHBondContact O-N 2.79Å; C69-N71 PolarHBondContact O-N 3.3Å; C69-V72 WeakPolarHBondContact O-CB 3.3Å; C69-V72 PolarHBondContact O-N 3.07Å; C69-L73 WeakPolarHBondContact O-CG 2.95Å; C69-L73 PolarHBondContact O-N 3.05Å; C69-C90 WeakPolarHBondContact CA-SG 3.35Å; C69-C90 HydrophobicContact CB-CB 4.44Å; C69-C90 WeakPolarHBondContact CB-SG 3.38Å; C69-C90 WeakPolarHBondContact SG-CA 3.33Å; C69-C90 WeakPolarHBondContact SG-CB 3.29Å; C69-C90 PolarHBondContact SG-O 3.47Å; C69-C90 CovalentContact SG-SG 2.03Å; C69-C90 PolarHBondContact SG-SG 3.07Å; C69-I92 HydrophobicContact CB-CD1 4.44Å
70	K	89.2	Confident	85.4	Confident	130 Å²	130	43.9 Å²	43.9	57%	0.565	23%	0.225	S	C	*	.	H	α-helix	trans	-57.9	-46.6	172.5	-175.3	178.8	178.3	-179.5	0	112.1	D66 R67 Y68 V72 L73 D74	D66-K70 WeakPolarHBondContact O-CB 3.29Å; D66-K70 PolarHBondContact O-N 3.45Å; R67-K70 WeakPolarHBondContact O-CB 2.98Å; R67-K70 PolarHBondContact O-N 3.26Å; Y68-K70 VanDerWaalsContact C-N 3.26Å; Y68-K70 PolarHBondContact O-N 3.27Å; K70-V72 VanDerWaalsContact C-N 3.32Å; K70-V72 PolarHBondContact O-N 3.33Å; K70-L73 PolarHBondContact O-N 3.3Å; K70-D74 PolarHBondContact O-N 2.99Å
71	N	88.6	Confident	87.1	Confident	35 Å²	35	43.3 Å²	43.3	19%	0.187	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-38.8	176.9	-72.4	3.7	0	0	0	112.1	R67 Y68 C69 D74 V75 T140 W141 I142	R67-N71 PolarHBondContact O-N 3.36Å; R67-N71 VanDerWaalsContact O-N 3.07Å; R67-N71 PolarHBondContact O-OD1 3.06Å; Y68-N71 WeakPolarHBondContact O-CA 3.21Å; Y68-N71 WeakPolarHBondContact O-CB 3.24Å; Y68-N71 PolarHBondContact O-N 3.42Å; C69-N71 PolarHBondContact O-N 3.3Å; N71-D74 PolarHBondContact O-N 2.65Å; N71-V75 WeakPolarHBondContact O-CG2 3.09Å; N71-V75 PolarHBondContact O-N 3.23Å; N71-T140 PolarHBondContact ND2-OG1 3.46Å; N71-W141 HydrophobicContact CB-CE3 4.3Å; N71-W141 HydrophobicContact CB-CZ3 4.46Å; N71-W141 WeakPolarHBondContact ND2-CZ3 3.45Å; N71-I142 HydrophobicContact CB-CD1 4.46Å
72	V	90.7	Very high	88.4	Confident	2 Å²	2	47 Å²	47	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-46.3	173.7	176.9	0	0	0	0	110.9	L42 Y68 C69 K70 D74 V75 V76 V104 I142	L42-V72 HydrophobicContact CD1-CG1 3.93Å; Y68-V72 HydrophobicContact CD1-CG2 3.63Å; Y68-V72 HydrophobicContact CE1-CG2 3.23Å; Y68-V72 WeakPolarHBondContact O-CG2 3.24Å; Y68-V72 PolarHBondContact O-N 3.27Å; C69-V72 WeakPolarHBondContact O-CB 3.3Å; C69-V72 PolarHBondContact O-N 3.07Å; K70-V72 VanDerWaalsContact C-N 3.32Å; K70-V72 PolarHBondContact O-N 3.33Å; V72-D74 VanDerWaalsContact C-N 3.28Å; V72-D74 PolarHBondContact O-N 2.77Å; V72-V75 PolarHBondContact O-N 2.79Å; V72-V76 HydrophobicContact CG1-CG2 4.18Å; V72-V76 WeakPolarHBondContact O-CB 3.42Å; V72-V76 VanDerWaalsContact O-CG2 3.3Å; V72-V76 WeakPolarHBondContact O-CG2 3.34Å; V72-V76 PolarHBondContact O-N 3.2Å; V72-V104 HydrophobicContact CG1-CG1 4.12Å; V72-V104 HydrophobicContact CG2-CG1 4.39Å; V72-V104 HydrophobicContact CG2-CG2 4.14Å; V72-I142 HydrophobicContact CB-CD1 4.18Å; V72-I142 HydrophobicContact CG2-CD1 3.57Å
73	L	92.4	Very high	89.1	Confident	19 Å²	19	47 Å²	47	10%	0.099	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-37.9	177.9	-70.5	176.3	0	0	0	112.1	C69 K70 V76 R77 L88 C90 L106	C69-L73 WeakPolarHBondContact O-CG 2.95Å; C69-L73 PolarHBondContact O-N 3.05Å; K70-L73 PolarHBondContact O-N 3.3Å; L73-V76 PolarHBondContact O-N 3.2Å; L73-R77 WeakPolarHBondContact O-CB 3.48Å; L73-R77 VanDerWaalsContact O-CG 3.29Å; L73-R77 WeakPolarHBondContact O-CG 3.29Å; L73-R77 PolarHBondContact O-N 2.83Å; L73-L88 HydrophobicContact CD2-CB 3.77Å; L73-L88 HydrophobicContact CD2-CD1 4.17Å; L73-C90 HydrophobicContact CD1-CB 4.49Å; L73-C90 HydrophobicContact CD2-CB 4.06Å; L73-C90 HydrophobicContact CG-CB 4.18Å; L73-L106 HydrophobicContact CD2-CD1 3.53Å
74	D	91.3	Very high	89.6	Confident	79 Å²	79	47.2 Å²	47.2	42%	0.422	25%	0.25	S	C	.	.	H	α-helix	trans	-67.4	-41.3	176.5	-67.8	-18.3	0	0	0	111.3	K70 N71 V72 R77 G78	K70-D74 PolarHBondContact O-N 2.99Å; N71-D74 PolarHBondContact O-N 2.65Å; V72-D74 VanDerWaalsContact C-N 3.28Å; V72-D74 PolarHBondContact O-N 2.77Å; D74-R77 PolarHBondContact O-N 2.92Å; D74-R77 IonicContact OD1-NH1 3.12Å; D74-G78 PolarHBondContact O-N 2.83Å
75	V	91.6	Very high	90	Very high	21 Å²	21	51 Å²	51	13%	0.127	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-48.1	172.9	170.6	0	0	0	0	111.2	N71 V72 R77 G78 L79 V135 I142 I145	N71-V75 WeakPolarHBondContact O-CG2 3.09Å; N71-V75 PolarHBondContact O-N 3.23Å; V72-V75 PolarHBondContact O-N 2.79Å; V75-R77 VanDerWaalsContact C-N 3.32Å; V75-R77 PolarHBondContact O-N 2.89Å; V75-G78 PolarHBondContact O-N 3.07Å; V75-G78 VanDerWaalsContact O-N 3.1Å; V75-L79 HydrophobicContact CG1-CD1 4.05Å; V75-L79 HydrophobicContact CG1-CG 4.34Å; V75-L79 WeakPolarHBondContact O-CG 3.37Å; V75-L79 PolarHBondContact O-N 2.84Å; V75-V135 HydrophobicContact CG1-CG1 3.97Å; V75-V135 HydrophobicContact CG1-CG2 3.96Å; V75-V135 HydrophobicContact CG2-CG1 4.14Å; V75-I142 HydrophobicContact CB-CD1 4.46Å; V75-I142 HydrophobicContact CG2-CD1 3.96Å; V75-I145 HydrophobicContact CG1-CD1 4.36Å
76	V	92.9	Very high	90.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-43.4	178.8	165	0	0	0	0	111.3	L42 V72 L73 L79 E80 L83 L88 L106 L130 I145	L42-V76 HydrophobicContact CD1-CG2 3.97Å; V72-V76 HydrophobicContact CG1-CG2 4.18Å; V72-V76 WeakPolarHBondContact O-CB 3.42Å; V72-V76 VanDerWaalsContact O-CG2 3.3Å; V72-V76 WeakPolarHBondContact O-CG2 3.34Å; V72-V76 PolarHBondContact O-N 3.2Å; L73-V76 PolarHBondContact O-N 3.2Å; V76-L79 PolarHBondContact O-N 3.31Å; V76-E80 PolarHBondContact O-N 3.37Å; V76-L83 HydrophobicContact CG1-CD1 3.49Å; V76-L83 VanDerWaalsContact CG1-CD1 3.49Å; V76-L88 HydrophobicContact CG1-CD1 4.29Å; V76-L106 HydrophobicContact CG1-CD2 4.48Å; V76-L130 HydrophobicContact CB-CD2 4.4Å; V76-L130 HydrophobicContact CG1-CD2 4.19Å; V76-L130 HydrophobicContact CG2-CD2 4.16Å; V76-I145 HydrophobicContact CG2-CD1 4.32Å
77	R	92.9	Very high	90.6	Very high	75 Å²	75	50.6 Å²	50.6	28%	0.283	28%	0.277	S	S	.	.	H	α-helix	trans	-70.3	-31.2	176	-72.2	174.6	-178.1	129.7	1.1	113.1	L73 D74 V75 E80 P81 L83 L88	L73-R77 WeakPolarHBondContact O-CB 3.48Å; L73-R77 VanDerWaalsContact O-CG 3.29Å; L73-R77 WeakPolarHBondContact O-CG 3.29Å; L73-R77 PolarHBondContact O-N 2.83Å; D74-R77 PolarHBondContact O-N 2.92Å; D74-R77 IonicContact OD1-NH1 3.12Å; V75-R77 VanDerWaalsContact C-N 3.32Å; V75-R77 PolarHBondContact O-N 2.89Å; R77-E80 CarbonylContact O-C 3.59Å; R77-E80 VanDerWaalsContact O-C 3.28Å; R77-P81 WeakPolarHBondContact O-CA 3.45Å; R77-L83 HydrophobicContact CG-CB 4.42Å; R77-L88 HydrophobicContact CG-CD1 4.33Å
78	G	91.3	Very high	91	Very high	58 Å²	58	43.6 Å²	43.6	60%	0.598	25%	0.252	S	S	*	.	H	α-helix	trans	-67.6	-40.2	173.2	0	0	0	0	0	112.5	D74 V75	D74-G78 PolarHBondContact O-N 2.83Å; V75-G78 PolarHBondContact O-N 3.07Å; V75-G78 VanDerWaalsContact O-N 3.1Å
79	L	92	Very high	91.3	Very high	33 Å²	33	43.4 Å²	43.4	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-72.1	-40.3	177.3	-68.6	-179.9	0	0	0	112.5	V75 V76 T129 L130 I145	V75-L79 HydrophobicContact CG1-CD1 4.05Å; V75-L79 HydrophobicContact CG1-CG 4.34Å; V75-L79 WeakPolarHBondContact O-CG 3.37Å; V75-L79 PolarHBondContact O-N 2.84Å; V76-L79 PolarHBondContact O-N 3.31Å; L79-T129 WeakPolarHBondContact O-CG2 3.38Å; L79-L130 HydrophobicContact CB-CD2 4.15Å; L79-L130 HydrophobicContact CD1-CD2 4.08Å; L79-I145 HydrophobicContact CD1-CD1 3.82Å
80	E	92.9	Very high	91.4	Very high	17 Å²	17	43.2 Å²	43.2	8%	0.079	25%	0.249	C	C	.	.			trans	-125.7	89.3	176.2	-177.6	52.1	-98.1	0	0	111.1	V76 R77 K82 L83 F117 L126 T129	V76-E80 PolarHBondContact O-N 3.37Å; R77-E80 CarbonylContact O-C 3.59Å; R77-E80 VanDerWaalsContact O-C 3.28Å; E80-K82 HydrophobicContact CG-CB 4.29Å; E80-K82 PolarHBondContact O-N 2.91Å; E80-K82 VanDerWaalsContact O-N 3.07Å; E80-K82 WeakPolarHBondContact OE1-CB 3.44Å; E80-K82 WeakPolarHBondContact OE1-CD 3.18Å; E80-K82 WeakPolarHBondContact OE1-CG 3.35Å; E80-K82 PolarHBondContact OE1-N 3.42Å; E80-L83 HydrophobicContact CB-CD1 4.08Å; E80-L83 HydrophobicContact CB-CG 4.2Å; E80-L83 HydrophobicContact CG-CD1 4.23Å; E80-L83 HydrophobicContact CG-CG 3.9Å; E80-L83 WeakPolarHBondContact O-CB 3.31Å; E80-L83 PolarHBondContact O-N 3.43Å; E80-F117 HydrophobicContact CG-CE1 4.29Å; E80-F117 HydrophobicContact CG-CZ 3.83Å; E80-L126 HydrophobicContact CB-CD1 4.27Å; E80-L126 HydrophobicContact CG-CD1 4.22Å; E80-T129 HydrophobicContact CB-CG2 4.02Å
81	P	92	Very high	91.5	Very high	83 Å²	83	37.1 Å²	37.1	54%	0.539	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-58.6	-24	-177.6	-27.8	36.2	0	0	0	114.5	R77 L83 S84	R77-P81 WeakPolarHBondContact O-CA 3.45Å; P81-L83 PolarHBondContact O-N 3.26Å; P81-S84 VanDerWaalsContact O-CB 3.31Å; P81-S84 WeakPolarHBondContact O-CB 2.78Å; P81-S84 PolarHBondContact O-N 3.46Å; P81-S84 VanDerWaalsContact O-N 3.07Å; P81-S84 PolarHBondContact O-OG 2.82Å
82	K	91.1	Very high	91.4	Very high	111 Å²	111	35.6 Å²	35.6	48%	0.483	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-60.5	-23.4	176.1	-66.2	175.2	-172.4	171.6	0	113	E80 S84 I116 F117	E80-K82 HydrophobicContact CG-CB 4.29Å; E80-K82 PolarHBondContact O-N 2.91Å; E80-K82 VanDerWaalsContact O-N 3.07Å; E80-K82 WeakPolarHBondContact OE1-CB 3.44Å; E80-K82 WeakPolarHBondContact OE1-CD 3.18Å; E80-K82 WeakPolarHBondContact OE1-CG 3.35Å; E80-K82 PolarHBondContact OE1-N 3.42Å; K82-S84 PolarHBondContact O-N 3.3Å; K82-I116 HydrophobicContact CB-CG2 3.67Å; K82-F117 HydrophobicContact CD-CE1 4.29Å
83	L	92.4	Very high	90.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-75.4	-4.5	177.3	-65.3	-179.9	0	0	0	114.1	V76 R77 E80 P81 S85 A86 L88 M113 F117 L126	V76-L83 HydrophobicContact CG1-CD1 3.49Å; V76-L83 VanDerWaalsContact CG1-CD1 3.49Å; R77-L83 HydrophobicContact CG-CB 4.42Å; E80-L83 HydrophobicContact CB-CD1 4.08Å; E80-L83 HydrophobicContact CB-CG 4.2Å; E80-L83 HydrophobicContact CG-CD1 4.23Å; E80-L83 HydrophobicContact CG-CG 3.9Å; E80-L83 WeakPolarHBondContact O-CB 3.31Å; E80-L83 PolarHBondContact O-N 3.43Å; P81-L83 PolarHBondContact O-N 3.26Å; L83-S85 PolarHBondContact O-N 2.93Å; L83-A86 HydrophobicContact CD2-CB 4.08Å; L83-A86 PolarHBondContact O-N 3.09Å; L83-L88 HydrophobicContact CB-CD1 4.12Å; L83-L88 HydrophobicContact CD1-CD1 4.24Å; L83-M113 HydrophobicContact CD2-CE 3.72Å; L83-M113 HydrophobicContact CD2-SD 3.55Å; L83-M113 VanDerWaalsContact CD2-SD 3.55Å; L83-F117 HydrophobicContact CD2-CE2 4.02Å; L83-F117 HydrophobicContact CD2-CZ 4.3Å; L83-L126 HydrophobicContact CD1-CD1 3.77Å
84	S	90	Very high	89.2	Confident	88 Å²	88	40.1 Å²	40.1	62%	0.615	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-61	-27.4	179.2	-58.4	0	0	0	0	113	P81 K82	P81-S84 VanDerWaalsContact O-CB 3.31Å; P81-S84 WeakPolarHBondContact O-CB 2.78Å; P81-S84 PolarHBondContact O-N 3.46Å; P81-S84 VanDerWaalsContact O-N 3.07Å; P81-S84 PolarHBondContact O-OG 2.82Å; K82-S84 PolarHBondContact O-N 3.3Å
85	S	88.2	Confident	87.8	Confident	94 Å²	94	42.1 Å²	42.1	66%	0.657	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-96.3	-3.6	175.8	60.5	0	0	0	0	114.1	L83	L83-S85 PolarHBondContact O-N 2.93Å
86	A	90.7	Very high	86.1	Confident	9 Å²	9	45.6 Å²	45.6	7%	0.074	27%	0.267	C	S	.	.	S	Bend	trans	-87.4	144.3	-177	0	0	0	0	0	111.3	L83 L88 M113 I116	L83-A86 HydrophobicContact CD2-CB 4.08Å; L83-A86 PolarHBondContact O-N 3.09Å; A86-L88 HydrophobicContact CB-CD2 4.28Å; A86-L88 HydrophobicContact CB-CG 4.39Å; A86-L88 PolarHBondContact O-N 2.66Å; A86-M113 HydrophobicContact CB-SD 4.39Å; A86-I116 HydrophobicContact CB-CD1 3.65Å
87	T	92.5	Very high	84.7	Confident	35 Å²	35	51 Å²	51	22%	0.215	29%	0.288	C	S	.	.			trans	-73.4	106.7	167.7	-54.3	0	0	0	0	108.6	L109 E112 M215 K216	T87-L109 HydrophobicContact CG2-CD1 4.29Å; T87-E112 VanDerWaalsContact CB-OE2 3.24Å; T87-E112 WeakPolarHBondContact CB-OE2 3.18Å; T87-E112 PolarHBondContact N-OE2 3.24Å; T87-E112 PolarHBondContact OG1-OE1 3.45Å; T87-E112 VanDerWaalsContact OG1-OE1 3.09Å; T87-E112 PolarHBondContact OG1-OE2 2.81Å; T87-E112 VanDerWaalsContact OG1-OE2 3.05Å; T87-M215 HydrophobicContact CG2-CE 4.2Å; T87-M215 HydrophobicContact CG2-SD 3.68Å; T87-K216 HydrophobicContact CG2-CB 4.47Å; T87-K216 HydrophobicContact CG2-CG 4.12Å
88	L	92.4	Very high	83.2	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.068	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.5	174.8	-58	-176.7	0	0	0	109.9	L73 V76 R77 L83 A86 L106 L108	L73-L88 HydrophobicContact CD2-CB 3.77Å; L73-L88 HydrophobicContact CD2-CD1 4.17Å; V76-L88 HydrophobicContact CG1-CD1 4.29Å; R77-L88 HydrophobicContact CG-CD1 4.33Å; L83-L88 HydrophobicContact CB-CD1 4.12Å; L83-L88 HydrophobicContact CD1-CD1 4.24Å; A86-L88 HydrophobicContact CB-CD2 4.28Å; A86-L88 HydrophobicContact CB-CG 4.39Å; A86-L88 PolarHBondContact O-N 2.66Å; L88-L106 HydrophobicContact CB-CD1 4.42Å; L88-L108 HydrophobicContact CD2-CD2 3.13Å; L88-L108 HydrophobicContact CD2-CG 3.82Å
89	S	92.8	Very high	82.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.9	169.6	-173.1	0	0	0	0	108.4	A107 M215 G218 Y219 C220	S89-A107 PolarHBondContact N-O 3.41Å; S89-A107 VanDerWaalsContact N-O 3.12Å; S89-A107 PolarHBondContact O-N 3.42Å; S89-M215 VanDerWaalsContact CB-O 3.32Å; S89-M215 WeakPolarHBondContact CB-O 3.44Å; S89-G218 VanDerWaalsContact OG-CA 3.3Å; S89-G218 WeakPolarHBondContact OG-CA 3.36Å; S89-G218 PolarHBondContact OG-O 2.92Å; S89-Y219 PolarHBondContact OG-N 3.23Å; S89-C220 VanDerWaalsContact OG-CB 3.3Å; S89-C220 WeakPolarHBondContact OG-CB 3.48Å; S89-C220 PolarHBondContact OG-N 3.4Å
90	C	92.1	Very high	81.6	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.034	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	158.1	177.1	122.3	0	0	0	0	110.9	C69 L73 V104 E105 L106 C220	C69-C90 WeakPolarHBondContact CA-SG 3.35Å; C69-C90 HydrophobicContact CB-CB 4.44Å; C69-C90 WeakPolarHBondContact CB-SG 3.38Å; C69-C90 WeakPolarHBondContact SG-CA 3.33Å; C69-C90 WeakPolarHBondContact SG-CB 3.29Å; C69-C90 PolarHBondContact SG-O 3.47Å; C69-C90 CovalentContact SG-SG 2.03Å; C69-C90 PolarHBondContact SG-SG 3.07Å; L73-C90 HydrophobicContact CD1-CB 4.49Å; L73-C90 HydrophobicContact CD2-CB 4.06Å; L73-C90 HydrophobicContact CG-CB 4.18Å; C90-V104 HydrophobicContact CB-CG1 4.2Å; C90-V104 WeakPolarHBondContact SG-CG1 3.04Å; C90-E105 CarbonylContact C-O 3.48Å; C90-E105 WeakPolarHBondContact CA-O 3.07Å; C90-E105 WeakPolarHBondContact CB-O 3.23Å; C90-L106 HydrophobicContact CB-CD1 4.17Å; C90-C220 VanDerWaalsContact C-SG 3.58Å
91	D	90.1	Very high	81.3	Confident	3 Å²	3	57 Å²	57	2%	0.016	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.3	170.9	-152.4	0.3	0	0	0	109.7	E105 C220 C221 T222 N225	D91-E105 PolarHBondContact N-O 3.35Å; D91-E105 PolarHBondContact O-N 3.21Å; D91-C220 WeakPolarHBondContact CB-O 3.38Å; D91-C221 HydrophobicContact CB-CB 3.93Å; D91-T222 WeakPolarHBondContact OD2-CB 3.29Å; D91-T222 PolarHBondContact OD2-N 3.27Å; D91-N225 VanDerWaalsContact CG-ND2 3.3Å; D91-N225 PolarHBondContact OD1-ND2 3.44Å; D91-N225 WeakPolarHBondContact OD2-CB 3.45Å; D91-N225 PolarHBondContact OD2-ND2 3.47Å
92	I	86.5	Confident	81.1	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.015	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.7	-177.9	-51.9	171.1	0	0	0	108	W49 L65 Y68 C69 E94 I102 V104 N225	W49-I92 HydrophobicContact CH2-CD1 3.91Å; W49-I92 HydrophobicContact CH2-CG2 4.02Å; W49-I92 HydrophobicContact CZ2-CG2 4.4Å; W49-I92 HydrophobicContact CZ3-CD1 4.39Å; L65-I92 HydrophobicContact CB-CD1 4.39Å; L65-I92 HydrophobicContact CD2-CB 4.32Å; L65-I92 HydrophobicContact CD2-CD1 4.25Å; L65-I92 HydrophobicContact CD2-CG2 4.42Å; Y68-I92 HydrophobicContact CD1-CD1 3.33Å; Y68-I92 HydrophobicContact CD1-CG1 4.43Å; Y68-I92 HydrophobicContact CE1-CD1 4.22Å; Y68-I92 HydrophobicContact CG-CD1 3.88Å; C69-I92 HydrophobicContact CB-CD1 4.44Å; I92-E94 PolarHBondContact O-N 2.91Å; I92-I102 HydrophobicContact CG2-CD1 4.39Å; I92-V104 HydrophobicContact CG1-CG1 4.38Å; I92-V104 HydrophobicContact CG1-CG2 4.39Å; I92-N225 PolarHBondContact O-ND2 3.36Å
93	S	72.4	Confident	81	Confident	19 Å²	19	49.4 Å²	49.4	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	112.7	174.5	-178.6	0	0	0	0	109.4	T95 Q96	S93-T95 PolarHBondContact O-N 3.03Å; S93-T95 PolarHBondContact OG-OG1 3.46Å; S93-Q96 PolarHBondContact O-N 3.32Å
94	E	64.9	Low	80.9	Confident	96 Å²	96	49.4 Å²	49.4	45%	0.449	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	-21.1	176.9	-68.7	-179.9	160.9	0	0	112.8	L65 I92 R228	L65-E94 HydrophobicContact CD1-CG 3.98Å; I92-E94 PolarHBondContact O-N 2.91Å; E94-R228 VanDerWaalsContact CD-NH1 3.32Å; E94-R228 IonicContact OE1-CZ 2.93Å; E94-R228 IonicContact OE1-NH1 4Å; E94-R228 PolarHBondContact OE1-NH1 3.42Å; E94-R228 IonicContact OE1-NH2 2.85Å; E94-R228 IonicContact OE2-NH1 2.65Å; E94-R228 PolarHBondContact OE2-NH1 3.22Å
95	T	61.2	Low	81	Confident	121 Å²	121	47.6 Å²	47.6	74%	0.742	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.1	-6	-172.8	60.7	0	0	0	0	114.9	S93	S93-T95 PolarHBondContact O-N 3.03Å; S93-T95 PolarHBondContact OG-OG1 3.46Å
96	Q	57.6	Low	81.2	Confident	94 Å²	94	43.1 Å²	43.1	44%	0.439	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	71.4	-170.4	-65.2	-169.8	0.5	0	0	112.6	S93 N103	S93-Q96 PolarHBondContact O-N 3.32Å; Q96-N103 HydrophobicContact CB-CB 3.94Å; Q96-N103 WeakPolarHBondContact CB-ND2 3.47Å; Q96-N103 PolarHBondContact O-N 3.24Å; Q96-N103 PolarHBondContact OE1-ND2 3.21Å
97	R	63.5	Low	81.3	Confident	113 Å²	113	42.7 Å²	42.7	43%	0.426	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.3	169	-175.6	-179.5	174.9	-167.5	5.6	110.9	D50 G99	D50-R97 IonicContact OD1-CZ 3.23Å; D50-R97 VanDerWaalsContact OD1-CZ 3.23Å; D50-R97 IonicContact OD1-NH1 2.57Å; D50-R97 PolarHBondContact OD1-NH1 3.39Å; D50-R97 IonicContact OD1-NH2 3.42Å; D50-R97 PolarHBondContact OD1-NH2 2.95Å; D50-R97 IonicContact OD2-CZ 3.28Å; D50-R97 VanDerWaalsContact OD2-CZ 3.28Å; D50-R97 IonicContact OD2-NH1 3.03Å; D50-R97 PolarHBondContact OD2-NH1 3.33Å; D50-R97 IonicContact OD2-NH2 2.71Å; D50-R97 PolarHBondContact OD2-NH2 2.85Å; R97-G99 PolarHBondContact NE-O 2.97Å; R97-G99 PolarHBondContact NH2-O 3.43Å
98	T	59.6	Low	81.4	Confident	95 Å²	95	41 Å²	41	58%	0.583	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-131.6	88.7	167.5	47.4	0	0	0	0	109.8	E100 T101	T98-E100 PolarHBondContact O-N 3.38Å; T98-T101 PolarHBondContact N-O 3.5Å; T98-T101 VanDerWaalsContact N-O 3.16Å; T98-T101 PolarHBondContact O-N 2.9Å; T98-T101 PolarHBondContact O-OG1 3.1Å; T98-T101 PolarHBondContact OG1-OG1 2.92Å
99	G	72.4	Confident	81.3	Confident	50 Å²	50	40.9 Å²	40.9	52%	0.515	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	-121.6	179.2	0	0	0	0	0	112.4	R97 T101	R97-G99 PolarHBondContact NE-O 2.97Å; R97-G99 PolarHBondContact NH2-O 3.43Å; G99-T101 PolarHBondContact O-N 2.95Å
100	E	79.3	Confident	81.1	Confident	142 Å²	142	41.5 Å²	41.5	66%	0.664	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	1.9	-179.8	-65.9	175	175	0	0	113	T46 T98	T46-E100 PolarHBondContact N-O 3.48Å; T46-E100 PolarHBondContact OG1-O 2.97Å; T98-E100 PolarHBondContact O-N 3.38Å
101	T	85.4	Confident	80.9	Confident	22 Å²	22	44.6 Å²	44.6	14%	0.135	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	141.9	-174.7	88.9	0	0	0	0	111.6	N43 V44 T98 G99 I146	N43-T101 WeakPolarHBondContact OD1-CB 3.18Å; N43-T101 PolarHBondContact OD1-OG1 3.02Å; V44-T101 VanDerWaalsContact O-CA 3.31Å; V44-T101 WeakPolarHBondContact O-CA 3.14Å; T98-T101 PolarHBondContact N-O 3.5Å; T98-T101 VanDerWaalsContact N-O 3.16Å; T98-T101 PolarHBondContact O-N 2.9Å; T98-T101 PolarHBondContact O-OG1 3.1Å; T98-T101 PolarHBondContact OG1-OG1 2.92Å; G99-T101 PolarHBondContact O-N 2.95Å; T101-I146 HydrophobicContact CG2-CD1 3.32Å
102	I	87.3	Confident	80.9	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.5	178	67.3	165.9	0	0	0	110.3	V44 T46 W49 Y68 I92 V104	V44-I102 HydrophobicContact CB-CG1 4.16Å; V44-I102 PolarHBondContact N-O 3.28Å; V44-I102 PolarHBondContact O-N 3.07Å; T46-I102 HydrophobicContact CG2-CD1 4.13Å; T46-I102 HydrophobicContact CG2-CG1 4.08Å; W49-I102 HydrophobicContact CD2-CD1 4.47Å; W49-I102 HydrophobicContact CD2-CG2 3.86Å; W49-I102 HydrophobicContact CE3-CD1 3.7Å; W49-I102 HydrophobicContact CE3-CG2 4.08Å; W49-I102 HydrophobicContact CG-CG2 4.19Å; W49-I102 HydrophobicContact CH2-CD1 3.75Å; W49-I102 HydrophobicContact CZ2-CD1 4.49Å; W49-I102 HydrophobicContact CZ3-CD1 3.27Å; W49-I102 HydrophobicContact CZ3-CG2 4.47Å; Y68-I102 HydrophobicContact CD1-CD1 3.94Å; Y68-I102 HydrophobicContact CE1-CD1 3.21Å; Y68-I102 HydrophobicContact CE1-CG1 4.34Å; Y68-I102 HydrophobicContact CE2-CD1 4.1Å; Y68-I102 VanDerWaalsContact OH-CD1 3.29Å; Y68-I102 WeakPolarHBondContact OH-CD1 3.07Å; I92-I102 HydrophobicContact CG2-CD1 4.39Å; I102-V104 HydrophobicContact CD1-CG2 3.95Å; I102-V104 HydrophobicContact CG1-CG2 4.1Å
103	N	89.1	Confident	81.1	Confident	31 Å²	31	47 Å²	47	17%	0.166	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.4	173.7	-72	-16.9	0	0	0	110.5	T41 L42 Q96	T41-N103 HydrophobicContact CG2-CB 3.79Å; L42-N103 WeakPolarHBondContact O-CA 3.41Å; Q96-N103 HydrophobicContact CB-CB 3.94Å; Q96-N103 WeakPolarHBondContact CB-ND2 3.47Å; Q96-N103 PolarHBondContact O-N 3.24Å; Q96-N103 PolarHBondContact OE1-ND2 3.21Å
104	V	90.5	Very high	81.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125	176	-174.7	0	0	0	0	108.5	T41 L42 V44 Y68 V72 C90 I92 I102	T41-V104 CarbonylContact C-O 3.56Å; T41-V104 WeakPolarHBondContact CA-O 3.25Å; L42-V104 HydrophobicContact CB-CB 4.31Å; L42-V104 PolarHBondContact N-O 3.12Å; L42-V104 PolarHBondContact O-N 3.14Å; V44-V104 HydrophobicContact CB-CG2 4.31Å; V44-V104 HydrophobicContact CG2-CB 4.32Å; V44-V104 HydrophobicContact CG2-CG2 3.78Å; Y68-V104 HydrophobicContact CE1-CG2 4.19Å; V72-V104 HydrophobicContact CG1-CG1 4.12Å; V72-V104 HydrophobicContact CG2-CG1 4.39Å; V72-V104 HydrophobicContact CG2-CG2 4.14Å; C90-V104 HydrophobicContact CB-CG1 4.2Å; C90-V104 WeakPolarHBondContact SG-CG1 3.04Å; I92-V104 HydrophobicContact CG1-CG1 4.38Å; I92-V104 HydrophobicContact CG1-CG2 4.39Å; I102-V104 HydrophobicContact CD1-CG2 3.95Å; I102-V104 HydrophobicContact CG1-CG2 4.1Å
105	E	92.2	Very high	83	Confident	49 Å²	49	52.4 Å²	52.4	23%	0.229	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.3	173	-61.7	-172.2	132.1	0	0	108.9	V39 C90 D91 C221 T222	V39-E105 HydrophobicContact CG1-CB 4.04Å; C90-E105 CarbonylContact C-O 3.48Å; C90-E105 WeakPolarHBondContact CA-O 3.07Å; C90-E105 WeakPolarHBondContact CB-O 3.23Å; D91-E105 PolarHBondContact N-O 3.35Å; D91-E105 PolarHBondContact O-N 3.21Å; E105-C221 HydrophobicContact CB-CB 3.55Å; E105-C221 HydrophobicContact CG-CB 4.28Å; E105-C221 WeakPolarHBondContact OE2-CB 3.42Å; E105-T222 PolarHBondContact OE2-N 2.85Å; E105-T222 PolarHBondContact OE2-OG1 3.22Å
106	L	93.6	Very high	84.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.8	175.5	-179.6	71.9	0	0	0	108.8	V39 T40 L42 L73 V76 L88 C90 L108	V39-L106 WeakPolarHBondContact CA-O 3.06Å; T40-L106 HydrophobicContact CG2-CB 3.92Å; T40-L106 HydrophobicContact CG2-CD2 4.17Å; T40-L106 HydrophobicContact CG2-CG 4.4Å; T40-L106 PolarHBondContact N-O 2.97Å; T40-L106 PolarHBondContact O-N 3.12Å; L42-L106 HydrophobicContact CD1-CB 4.22Å; L42-L106 HydrophobicContact CD1-CD2 4.24Å; L42-L106 HydrophobicContact CG-CB 4.28Å; L73-L106 HydrophobicContact CD2-CD1 3.53Å; V76-L106 HydrophobicContact CG1-CD2 4.48Å; L88-L106 HydrophobicContact CB-CD1 4.42Å; C90-L106 HydrophobicContact CB-CD1 4.17Å; L106-L108 HydrophobicContact CD2-CD1 4.07Å; L106-L108 HydrophobicContact CD2-CG 4.41Å; L106-L108 HydrophobicContact CG-CD1 4.16Å; L106-L108 HydrophobicContact CG-CG 4.31Å
107	A	92.6	Very high	85.8	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.7	171.8	0	0	0	0	0	111.3	I37 V38 V39 S89 M215 C220	I37-A107 HydrophobicContact CG2-CB 4.41Å; V38-A107 WeakPolarHBondContact O-CA 3.2Å; V39-A107 HydrophobicContact CG2-CB 4.22Å; S89-A107 PolarHBondContact N-O 3.41Å; S89-A107 VanDerWaalsContact N-O 3.12Å; S89-A107 PolarHBondContact O-N 3.42Å; A107-M215 HydrophobicContact CB-CG 3.81Å; A107-C220 HydrophobicContact CB-CB 3.65Å
108	L	92.9	Very high	86.8	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155.5	-179.3	-61.1	125.2	0	0	0	110.5	I37 V38 T40 L88 L106 M113	I37-L108 WeakPolarHBondContact CA-O 3.17Å; V38-L108 HydrophobicContact CG2-CB 4.06Å; V38-L108 PolarHBondContact N-O 3.44Å; V38-L108 PolarHBondContact O-N 2.88Å; T40-L108 HydrophobicContact CG2-CD1 3.93Å; L88-L108 HydrophobicContact CD2-CD2 3.13Å; L88-L108 HydrophobicContact CD2-CG 3.82Å; L106-L108 HydrophobicContact CD2-CD1 4.07Å; L106-L108 HydrophobicContact CD2-CG 4.41Å; L106-L108 HydrophobicContact CG-CD1 4.16Å; L106-L108 HydrophobicContact CG-CG 4.31Å; L108-M113 HydrophobicContact CB-CG 4.13Å; L108-M113 HydrophobicContact CD2-CE 3.92Å; L108-M113 HydrophobicContact CD2-CG 4Å; L108-M113 HydrophobicContact CD2-SD 3.54Å; L108-M113 VanDerWaalsContact CD2-SD 3.54Å
109	L	91	Very high	87.8	Confident	10 Å²	10	44.5 Å²	44.5	5%	0.052	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	111.1	166.5	-72.1	-179.1	0	0	0	110.9	D36 I37 T87 N111 E112 M113 L212 M215	D36-L109 HydrophobicContact CB-CD2 4.33Å; D36-L109 CarbonylContact O-C 3.57Å; D36-L109 WeakPolarHBondContact O-CA 3.04Å; I37-L109 HydrophobicContact CG1-CD2 3.89Å; T87-L109 HydrophobicContact CG2-CD1 4.29Å; L109-N111 VanDerWaalsContact C-N 3.28Å; L109-N111 WeakPolarHBondContact CB-OD1 3.13Å; L109-N111 PolarHBondContact O-N 2.93Å; L109-E112 HydrophobicContact CB-CB 4.11Å; L109-E112 HydrophobicContact CB-CG 3.96Å; L109-E112 HydrophobicContact CD1-CG 4.28Å; L109-E112 WeakPolarHBondContact CD1-OE1 3.49Å; L109-E112 PolarHBondContact O-N 3.04Å; L109-E112 VanDerWaalsContact O-N 3.16Å; L109-M113 VanDerWaalsContact O-CG 3.28Å; L109-M113 WeakPolarHBondContact O-CG 3.31Å; L109-M113 PolarHBondContact O-N 2.89Å; L109-L212 HydrophobicContact CD2-CD1 3.72Å; L109-M215 HydrophobicContact CD1-CE 3.98Å; L109-M215 HydrophobicContact CD2-CE 3.25Å; L109-M215 HydrophobicContact CG-CE 3.34Å
110	S	88.3	Confident	88.1	Confident	13 Å²	13	47.2 Å²	47.2	9%	0.091	26%	0.259	C	S	.	.	H	α-helix	trans	-55.6	-40.4	-177.8	-52.2	0	0	0	0	112.5	D36 V38 M113 E114	D36-S110 WeakPolarHBondContact O-CB 3.45Å; D36-S110 PolarHBondContact O-N 3.18Å; D36-S110 PolarHBondContact O-OG 2.99Å; V38-S110 WeakPolarHBondContact CG1-OG 3.2Å; V38-S110 WeakPolarHBondContact CG2-OG 3.15Å; S110-M113 PolarHBondContact O-N 3.03Å; S110-E114 WeakPolarHBondContact O-CB 3.42Å; S110-E114 VanDerWaalsContact O-CG 3.26Å; S110-E114 WeakPolarHBondContact O-CG 3.23Å; S110-E114 PolarHBondContact O-N 2.91Å
111	N	87.6	Confident	88.5	Confident	70 Å²	70	44.7 Å²	44.7	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-66.3	-39.6	178.6	59.6	-8.7	0	0	0	113.1	L109 T115	L109-N111 VanDerWaalsContact C-N 3.28Å; L109-N111 WeakPolarHBondContact CB-OD1 3.13Å; L109-N111 PolarHBondContact O-N 2.93Å; N111-T115 PolarHBondContact O-N 3.41Å; N111-T115 VanDerWaalsContact O-N 3.14Å; N111-T115 PolarHBondContact O-OG1 2.99Å
112	E	90.9	Very high	88.7	Confident	57 Å²	57	45 Å²	45	27%	0.266	25%	0.254	S	S	.	.	H	α-helix	trans	-66.4	-44.4	173.4	-67.3	-176.8	173.9	0	0	110.2	T87 L109 E114 T115 I116	T87-E112 VanDerWaalsContact CB-OE2 3.24Å; T87-E112 WeakPolarHBondContact CB-OE2 3.18Å; T87-E112 PolarHBondContact N-OE2 3.24Å; T87-E112 PolarHBondContact OG1-OE1 3.45Å; T87-E112 VanDerWaalsContact OG1-OE1 3.09Å; T87-E112 PolarHBondContact OG1-OE2 2.81Å; T87-E112 VanDerWaalsContact OG1-OE2 3.05Å; L109-E112 HydrophobicContact CB-CB 4.11Å; L109-E112 HydrophobicContact CB-CG 3.96Å; L109-E112 HydrophobicContact CD1-CG 4.28Å; L109-E112 WeakPolarHBondContact CD1-OE1 3.49Å; L109-E112 PolarHBondContact O-N 3.04Å; L109-E112 VanDerWaalsContact O-N 3.16Å; E112-E114 PolarHBondContact O-N 2.62Å; E112-T115 WeakPolarHBondContact O-CB 3.21Å; E112-T115 PolarHBondContact O-N 3.35Å; E112-T115 VanDerWaalsContact O-N 3.14Å; E112-I116 WeakPolarHBondContact O-CB 3.49Å; E112-I116 WeakPolarHBondContact O-CD1 3.35Å; E112-I116 WeakPolarHBondContact O-CG1 3.48Å; E112-I116 PolarHBondContact O-N 2.89Å
113	M	90.5	Very high	88.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-62	-44	178.2	-67.9	-58.8	-66.5	0	0	112.6	L83 A86 L108 L109 S110 T115 I116 F117 W122 L126	L83-M113 HydrophobicContact CD2-CE 3.72Å; L83-M113 HydrophobicContact CD2-SD 3.55Å; L83-M113 VanDerWaalsContact CD2-SD 3.55Å; A86-M113 HydrophobicContact CB-SD 4.39Å; L108-M113 HydrophobicContact CB-CG 4.13Å; L108-M113 HydrophobicContact CD2-CE 3.92Å; L108-M113 HydrophobicContact CD2-CG 4Å; L108-M113 HydrophobicContact CD2-SD 3.54Å; L108-M113 VanDerWaalsContact CD2-SD 3.54Å; L109-M113 VanDerWaalsContact O-CG 3.28Å; L109-M113 WeakPolarHBondContact O-CG 3.31Å; L109-M113 PolarHBondContact O-N 2.89Å; S110-M113 PolarHBondContact O-N 3.03Å; M113-T115 VanDerWaalsContact C-N 3.27Å; M113-T115 PolarHBondContact O-N 3.5Å; M113-I116 PolarHBondContact O-N 2.8Å; M113-F117 HydrophobicContact CE-CD2 3.84Å; M113-F117 HydrophobicContact CE-CE2 3.31Å; M113-F117 HydrophobicContact CE-CZ 4.11Å; M113-F117 WeakPolarHBondContact O-CD2 3.49Å; M113-F117 PolarHBondContact O-N 2.78Å; M113-F117 HydrophobicContact SD-CE2 4.13Å; M113-W122 HydrophobicContact CB-CB 4.33Å; M113-W122 HydrophobicContact CB-CD2 3.76Å; M113-W122 HydrophobicContact CB-CE3 4.03Å; M113-W122 HydrophobicContact CB-CG 3.91Å; M113-W122 HydrophobicContact CE-CD2 4.2Å; M113-W122 HydrophobicContact CE-CE3 3.43Å; M113-W122 VanDerWaalsContact CE-CE3 3.43Å; M113-W122 HydrophobicContact CE-CZ3 3.94Å; M113-W122 HydrophobicContact CG-CD2 4.49Å; M113-W122 HydrophobicContact CG-CE3 4.28Å; M113-W122 HydrophobicContact CG-CZ3 4.5Å; M113-L126 HydrophobicContact CE-CD2 3.81Å
114	E	88.2	Confident	89.1	Confident	117 Å²	117	48.2 Å²	48.2	55%	0.547	27%	0.274	S	S	.	.	H	α-helix	trans	-59.5	-40.5	173.7	-76.5	173.3	-175.1	0	0	111.4	S110 E112 S118	S110-E114 WeakPolarHBondContact O-CB 3.42Å; S110-E114 VanDerWaalsContact O-CG 3.26Å; S110-E114 WeakPolarHBondContact O-CG 3.23Å; S110-E114 PolarHBondContact O-N 2.91Å; E112-E114 PolarHBondContact O-N 2.62Å; E114-S118 VanDerWaalsContact O-CB 3.24Å; E114-S118 WeakPolarHBondContact O-CB 3.41Å; E114-S118 PolarHBondContact O-N 3.42Å
115	T	89.2	Confident	89.1	Confident	111 Å²	111	50.2 Å²	50.2	68%	0.681	29%	0.288	S	S	*	.	H	α-helix	trans	-67.2	-43.8	177.7	-56.6	0	0	0	0	112.1	N111 E112 M113	N111-T115 PolarHBondContact O-N 3.41Å; N111-T115 VanDerWaalsContact O-N 3.14Å; N111-T115 PolarHBondContact O-OG1 2.99Å; E112-T115 WeakPolarHBondContact O-CB 3.21Å; E112-T115 PolarHBondContact O-N 3.35Å; E112-T115 VanDerWaalsContact O-N 3.14Å; M113-T115 VanDerWaalsContact C-N 3.27Å; M113-T115 PolarHBondContact O-N 3.5Å
116	I	90	Very high	89.1	Confident	42 Å²	42	47.9 Å²	47.9	22%	0.215	28%	0.277	C	S	.	.	H	α-helix	trans	-69.8	-37	-175.3	-70.5	166.3	0	0	0	112.3	K82 A86 E112 M113	K82-I116 HydrophobicContact CB-CG2 3.67Å; A86-I116 HydrophobicContact CB-CD1 3.65Å; E112-I116 WeakPolarHBondContact O-CB 3.49Å; E112-I116 WeakPolarHBondContact O-CD1 3.35Å; E112-I116 WeakPolarHBondContact O-CG1 3.48Å; E112-I116 PolarHBondContact O-N 2.89Å; M113-I116 PolarHBondContact O-N 2.8Å
117	F	88	Confident	89.1	Confident	9 Å²	9	50.7 Å²	50.7	4%	0.039	29%	0.289	C	S	.	.	H	α-helix	trans	-101.2	-3.9	-175.7	-70.8	-98	0	0	0	113.8	E80 K82 L83 M113 N120 W122 L126	E80-F117 HydrophobicContact CG-CE1 4.29Å; E80-F117 HydrophobicContact CG-CZ 3.83Å; K82-F117 HydrophobicContact CD-CE1 4.29Å; L83-F117 HydrophobicContact CD2-CE2 4.02Å; L83-F117 HydrophobicContact CD2-CZ 4.3Å; M113-F117 HydrophobicContact CE-CD2 3.84Å; M113-F117 HydrophobicContact CE-CE2 3.31Å; M113-F117 HydrophobicContact CE-CZ 4.11Å; M113-F117 WeakPolarHBondContact O-CD2 3.49Å; M113-F117 PolarHBondContact O-N 2.78Å; M113-F117 HydrophobicContact SD-CE2 4.13Å; F117-N120 PolarHBondContact O-N 2.81Å; F117-W122 HydrophobicContact CB-CB 3.46Å; F117-W122 VanDerWaalsContact CB-CB 3.46Å; F117-W122 HydrophobicContact CD1-CB 4.45Å; F117-W122 HydrophobicContact CD2-CB 3.76Å; F117-W122 HydrophobicContact CG-CB 3.64Å; F117-L126 HydrophobicContact CZ-CB 4.46Å
118	S	84.5	Confident	89.1	Confident	87 Å²	87	56.8 Å²	56.8	61%	0.608	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	133.5	175	-173.8	0	0	0	0	111.1	E114	E114-S118 VanDerWaalsContact O-CB 3.24Å; E114-S118 WeakPolarHBondContact O-CB 3.41Å; E114-S118 PolarHBondContact O-N 3.42Å
119	P	80.6	Confident	89.1	Confident	118 Å²	118	58.4 Å²	58.4	77%	0.766	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.6	3	10.9	36.6	-37	0	0	0	115.2
120	N	78.2	Confident	89.2	Confident	107 Å²	107	57.9 Å²	57.9	57%	0.572	33%	0.325	S	S	*	.	S	Bend	trans	-86.7	152.2	-173.3	-66.5	-37.5	0	0	0	111.5	F117 W122	F117-N120 PolarHBondContact O-N 2.81Å; N120-W122 PolarHBondContact O-N 2.99Å; N120-W122 VanDerWaalsContact O-N 3.08Å
121	P	87	Confident	89.4	Confident	89 Å²	89	60.8 Å²	60.8	58%	0.578	34%	0.337	S	S	*	.			trans	-54.5	119.1	166.4	-24.2	34.6	0	0	0	109.9	P124 S125	P121-P124 HydrophobicContact CB-CG 3.99Å; P121-S125 PolarHBondContact O-OG 2.89Å
122	W	90.7	Very high	89.6	Confident	29 Å²	29	60.8 Å²	60.8	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-66	-43	-173.3	66.8	-98.8	0	0	0	111.7	V38 M113 F117 N120 S125 L126 P151	V38-W122 HydrophobicContact CG2-CH2 3.89Å; V38-W122 HydrophobicContact CG2-CZ2 4.11Å; M113-W122 HydrophobicContact CB-CB 4.33Å; M113-W122 HydrophobicContact CB-CD2 3.76Å; M113-W122 HydrophobicContact CB-CE3 4.03Å; M113-W122 HydrophobicContact CB-CG 3.91Å; M113-W122 HydrophobicContact CE-CD2 4.2Å; M113-W122 HydrophobicContact CE-CE3 3.43Å; M113-W122 VanDerWaalsContact CE-CE3 3.43Å; M113-W122 HydrophobicContact CE-CZ3 3.94Å; M113-W122 HydrophobicContact CG-CD2 4.49Å; M113-W122 HydrophobicContact CG-CE3 4.28Å; M113-W122 HydrophobicContact CG-CZ3 4.5Å; F117-W122 HydrophobicContact CB-CB 3.46Å; F117-W122 VanDerWaalsContact CB-CB 3.46Å; F117-W122 HydrophobicContact CD1-CB 4.45Å; F117-W122 HydrophobicContact CD2-CB 3.76Å; F117-W122 HydrophobicContact CG-CB 3.64Å; N120-W122 PolarHBondContact O-N 2.99Å; N120-W122 VanDerWaalsContact O-N 3.08Å; W122-S125 PolarHBondContact O-N 2.91Å; W122-L126 HydrophobicContact CE3-CD2 4.32Å; W122-L126 HydrophobicContact CZ3-CD2 4.13Å; W122-L126 WeakPolarHBondContact O-CB 3.27Å; W122-L126 PolarHBondContact O-N 2.71Å; W122-P151 HydrophobicContact CH2-CB 3.92Å; W122-P151 HydrophobicContact CH2-CG 3.88Å; W122-P151 HydrophobicContact CZ2-CB 4.44Å; W122-P151 HydrophobicContact CZ2-CG 4.14Å
123	F	92.2	Very high	89.5	Confident	23 Å²	23	58.7 Å²	58.7	10%	0.101	34%	0.337	C	S	.	.	H	α-helix	trans	-70.4	-47.7	-171	-178.3	-105.8	0	0	0	114.2	S125 L126 K127 V148 S149 D150 P151	F123-S125 VanDerWaalsContact C-N 3.25Å; F123-S125 PolarHBondContact O-N 2.65Å; F123-L126 PolarHBondContact O-N 3.08Å; F123-K127 HydrophobicContact CE1-CB 4.38Å; F123-K127 HydrophobicContact CE1-CD 3.96Å; F123-K127 HydrophobicContact CE2-CB 4.42Å; F123-K127 HydrophobicContact CZ-CB 4.14Å; F123-K127 HydrophobicContact CZ-CD 3.95Å; F123-K127 VanDerWaalsContact O-CB 3.27Å; F123-K127 WeakPolarHBondContact O-CB 3.27Å; F123-K127 PolarHBondContact O-N 3Å; F123-V148 HydrophobicContact CE2-CG1 3.98Å; F123-V148 HydrophobicContact CZ-CG1 4.18Å; F123-S149 WeakPolarHBondContact CZ-O 3.13Å; F123-D150 HydrophobicContact CE1-CB 4.39Å; F123-D150 WeakPolarHBondContact CE1-OD1 3.22Å; F123-P151 HydrophobicContact CB-CG 4.41Å; F123-P151 HydrophobicContact CD1-CG 4.24Å; F123-P151 HydrophobicContact CD2-CG 3.88Å; F123-P151 HydrophobicContact CE2-CG 4.26Å; F123-P151 HydrophobicContact CG-CG 3.89Å
124	P	92.4	Very high	89.3	Confident	80 Å²	80	66.2 Å²	66.2	52%	0.519	38%	0.375	S	S	.	.	H	α-helix	trans	-58.5	-38.3	175.7	-25.9	35.5	0	0	0	113	P121 H128	P121-P124 HydrophobicContact CB-CG 3.99Å; P124-H128 WeakPolarHBondContact O-CB 3.27Å; P124-H128 PolarHBondContact O-N 3.08Å; P124-H128 VanDerWaalsContact O-N 3.07Å
125	S	90	Very high	89.2	Confident	43 Å²	43	61.3 Å²	61.3	30%	0.301	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-50.5	177.1	-53.3	0	0	0	0	110.8	P121 W122 F123 H128 T129	P121-S125 PolarHBondContact O-OG 2.89Å; W122-S125 PolarHBondContact O-N 2.91Å; F123-S125 VanDerWaalsContact C-N 3.25Å; F123-S125 PolarHBondContact O-N 2.65Å; S125-H128 PolarHBondContact O-N 3.39Å; S125-T129 PolarHBondContact O-N 3.19Å; S125-T129 PolarHBondContact O-OG1 2.03Å; S125-T129 VanDerWaalsContact O-OG1 3.09Å
126	L	92.3	Very high	88.5	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-60.4	-48.2	178.4	177.3	63.4	0	0	0	111.8	E80 L83 M113 F117 W122 F123 H128 T129 L130	E80-L126 HydrophobicContact CB-CD1 4.27Å; E80-L126 HydrophobicContact CG-CD1 4.22Å; L83-L126 HydrophobicContact CD1-CD1 3.77Å; M113-L126 HydrophobicContact CE-CD2 3.81Å; F117-L126 HydrophobicContact CZ-CB 4.46Å; W122-L126 HydrophobicContact CE3-CD2 4.32Å; W122-L126 HydrophobicContact CZ3-CD2 4.13Å; W122-L126 WeakPolarHBondContact O-CB 3.27Å; W122-L126 PolarHBondContact O-N 2.71Å; F123-L126 PolarHBondContact O-N 3.08Å; L126-H128 VanDerWaalsContact C-N 3.35Å; L126-H128 PolarHBondContact O-N 2.97Å; L126-T129 PolarHBondContact O-N 2.94Å; L126-L130 HydrophobicContact CD1-CD1 3.85Å; L126-L130 HydrophobicContact CD1-CD2 4.41Å; L126-L130 HydrophobicContact CD1-CG 3.91Å; L126-L130 HydrophobicContact CG-CD1 3.91Å; L126-L130 HydrophobicContact CG-CG 4.3Å; L126-L130 WeakPolarHBondContact O-CG 3.07Å; L126-L130 PolarHBondContact O-N 3.07Å
127	K	94.3	Very high	87.2	Confident	58 Å²	58	68.6 Å²	68.6	25%	0.252	38%	0.378	S	S	.	.	H	α-helix	trans	-56	-49.8	178.9	174.9	167.1	-173.6	171.2	0	111.2	F123 T129 L130 E131 V148	F123-K127 HydrophobicContact CE1-CB 4.38Å; F123-K127 HydrophobicContact CE1-CD 3.96Å; F123-K127 HydrophobicContact CE2-CB 4.42Å; F123-K127 HydrophobicContact CZ-CB 4.14Å; F123-K127 HydrophobicContact CZ-CD 3.95Å; F123-K127 VanDerWaalsContact O-CB 3.27Å; F123-K127 WeakPolarHBondContact O-CB 3.27Å; F123-K127 PolarHBondContact O-N 3Å; K127-T129 PolarHBondContact O-N 3.32Å; K127-L130 PolarHBondContact O-N 3.02Å; K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 WeakPolarHBondContact CE-OE2 3.3Å; K127-E131 HydrophobicContact CG-CG 4.34Å; K127-E131 WeakPolarHBondContact CG-OE2 3.49Å; K127-E131 WeakPolarHBondContact O-CB 3.46Å; K127-E131 WeakPolarHBondContact O-CG 3.35Å; K127-E131 PolarHBondContact O-N 3.2Å; K127-V148 VanDerWaalsContact CE-O 3.27Å; K127-V148 WeakPolarHBondContact CE-O 3.34Å; K127-V148 HydrophobicContact CG-CB 4.21Å; K127-V148 PolarHBondContact NZ-O 2.9Å
128	H	92.6	Very high	86.1	Confident	128 Å²	128	75.7 Å²	75.7	59%	0.593	41%	0.412	S	S	*	.	H	α-helix	trans	-59.2	-46.6	177.2	177.6	-83.2	0	0	0	111.8	P124 S125 L126 L130 S132	P124-H128 WeakPolarHBondContact O-CB 3.27Å; P124-H128 PolarHBondContact O-N 3.08Å; P124-H128 VanDerWaalsContact O-N 3.07Å; S125-H128 PolarHBondContact O-N 3.39Å; L126-H128 VanDerWaalsContact C-N 3.35Å; L126-H128 PolarHBondContact O-N 2.97Å; H128-L130 VanDerWaalsContact C-N 3.35Å; H128-L130 PolarHBondContact O-N 2.81Å; H128-S132 VanDerWaalsContact O-CB 3.3Å; H128-S132 WeakPolarHBondContact O-CB 3.44Å; H128-S132 PolarHBondContact O-N 3.17Å; H128-S132 PolarHBondContact O-OG 2.78Å
129	T	92.6	Very high	85.4	Confident	34 Å²	34	72.8 Å²	72.8	21%	0.209	39%	0.391	C	S	.	.	H	α-helix	trans	-60.8	-41.9	178.8	-60.1	0	0	0	0	112.3	L79 E80 S125 L126 K127 G133	L79-T129 WeakPolarHBondContact O-CG2 3.38Å; E80-T129 HydrophobicContact CB-CG2 4.02Å; S125-T129 PolarHBondContact O-N 3.19Å; S125-T129 PolarHBondContact O-OG1 2.03Å; S125-T129 VanDerWaalsContact O-OG1 3.09Å; L126-T129 PolarHBondContact O-N 2.94Å; K127-T129 PolarHBondContact O-N 3.32Å; T129-G133 WeakPolarHBondContact O-CA 3.21Å; T129-G133 PolarHBondContact O-N 2.92Å
130	L	93.1	Very high	85	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-72	-41.5	-179.3	-66.6	-179.4	0	0	0	112.7	L42 V76 L79 L126 K127 H128 I145 V148	L42-L130 HydrophobicContact CD2-CD1 4.14Å; V76-L130 HydrophobicContact CB-CD2 4.4Å; V76-L130 HydrophobicContact CG1-CD2 4.19Å; V76-L130 HydrophobicContact CG2-CD2 4.16Å; L79-L130 HydrophobicContact CB-CD2 4.15Å; L79-L130 HydrophobicContact CD1-CD2 4.08Å; L126-L130 HydrophobicContact CD1-CD1 3.85Å; L126-L130 HydrophobicContact CD1-CD2 4.41Å; L126-L130 HydrophobicContact CD1-CG 3.91Å; L126-L130 HydrophobicContact CG-CD1 3.91Å; L126-L130 HydrophobicContact CG-CG 4.3Å; L126-L130 WeakPolarHBondContact O-CG 3.07Å; L126-L130 PolarHBondContact O-N 3.07Å; K127-L130 PolarHBondContact O-N 3.02Å; H128-L130 VanDerWaalsContact C-N 3.35Å; H128-L130 PolarHBondContact O-N 2.81Å; L130-I145 HydrophobicContact CB-CD1 4.45Å; L130-I145 HydrophobicContact CB-CG2 4.49Å; L130-I145 HydrophobicContact CD2-CD1 4.19Å; L130-V148 HydrophobicContact CB-CG2 3.9Å; L130-V148 HydrophobicContact CD1-CG2 4.12Å
131	E	93.6	Very high	85.1	Confident	73 Å²	73	68.7 Å²	68.7	34%	0.341	36%	0.363	S	S	.	.	H	α-helix	trans	-78.5	-23.8	-178.4	-66.2	179.2	159.9	0	0	113.5	K127 S147 V148	K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 WeakPolarHBondContact CE-OE2 3.3Å; K127-E131 HydrophobicContact CG-CG 4.34Å; K127-E131 WeakPolarHBondContact CG-OE2 3.49Å; K127-E131 WeakPolarHBondContact O-CB 3.46Å; K127-E131 WeakPolarHBondContact O-CG 3.35Å; K127-E131 PolarHBondContact O-N 3.2Å; E131-S147 WeakPolarHBondContact OE1-CA 3.39Å; E131-V148 HydrophobicContact CG-CB 4.44Å; E131-V148 HydrophobicContact CG-CG2 3.98Å; E131-V148 PolarHBondContact OE1-N 2.81Å
132	S	91.6	Very high	85	Confident	71 Å²	71	64.7 Å²	64.7	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-100.5	-7.3	177.4	66.6	0	0	0	0	113.7	H128	H128-S132 VanDerWaalsContact O-CB 3.3Å; H128-S132 WeakPolarHBondContact O-CB 3.44Å; H128-S132 PolarHBondContact O-N 3.17Å; H128-S132 PolarHBondContact O-OG 2.78Å
133	G	87.7	Confident	84.8	Confident	13 Å²	13	66.4 Å²	66.4	13%	0.134	35%	0.35	C	S	.	.			trans	-70.7	133	-174.6	0	0	0	0	0	112.5	T129 V135	T129-G133 WeakPolarHBondContact O-CA 3.21Å; T129-G133 PolarHBondContact O-N 2.92Å; G133-V135 PolarHBondContact O-N 3.29Å
134	I	86.3	Confident	84.6	Confident	159 Å²	159	68.7 Å²	68.7	82%	0.815	36%	0.364	S	S	*	.			trans	-83.2	109.2	172.9	-57.4	175.3	0	0	0	108	N136	I134-N136 PolarHBondContact O-N 3.41Å
135	V	85.5	Confident	84.6	Confident	14 Å²	14	65 Å²	65	9%	0.085	34%	0.34	C	S	.	.			trans	-61.1	129.9	173.2	-177.9	0	0	0	0	109.1	V75 G133 K137 I142	V75-V135 HydrophobicContact CG1-CG1 3.97Å; V75-V135 HydrophobicContact CG1-CG2 3.96Å; V75-V135 HydrophobicContact CG2-CG1 4.14Å; G133-V135 PolarHBondContact O-N 3.29Å; V135-K137 PolarHBondContact O-N 3.31Å; V135-I142 HydrophobicContact CG1-CG2 4.34Å; V135-I142 WeakPolarHBondContact CG1-O 3.5Å; V135-I142 HydrophobicContact CG2-CG2 4.46Å
136	N	76.2	Confident	84.6	Confident	97 Å²	97	66.9 Å²	66.9	52%	0.519	35%	0.345	S	S	.	.			trans	-57	138	178.9	-177.8	-0.5	0	0	0	109.8	I134 E138 S139	I134-N136 PolarHBondContact O-N 3.41Å; N136-E138 PolarHBondContact ND2-OE2 3.5Å; N136-E138 PolarHBondContact O-N 3.14Å; N136-E138 VanDerWaalsContact O-N 3.07Å; N136-E138 PolarHBondContact OD1-N 3.42Å; N136-E138 VanDerWaalsContact OD1-N 3.14Å; N136-S139 WeakPolarHBondContact O-CB 3.05Å; N136-S139 PolarHBondContact O-N 3.07Å
137	K	62.6	Low	84.7	Confident	208 Å²	208	69.1 Å²	69.1	90%	0.904	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.5	175.2	-69	-174.5	178.4	-178.4	0	113.8	V135	V135-K137 PolarHBondContact O-N 3.31Å
138	E	65	Low	84.7	Confident	158 Å²	158	66.5 Å²	66.5	74%	0.738	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.6	174.6	-62	179.5	159.1	0	0	113.4	N136 T140	N136-E138 PolarHBondContact ND2-OE2 3.5Å; N136-E138 PolarHBondContact O-N 3.14Å; N136-E138 VanDerWaalsContact O-N 3.07Å; N136-E138 PolarHBondContact OD1-N 3.42Å; N136-E138 VanDerWaalsContact OD1-N 3.14Å; E138-T140 PolarHBondContact O-N 3.19Å; E138-T140 VanDerWaalsContact O-N 3.09Å
139	S	69.5	Low	84.7	Confident	26 Å²	26	62.1 Å²	62.1	18%	0.182	33%	0.334	C	S	.	.			trans	-60.2	114.4	169.9	176	0	0	0	0	109.1	N136 W141 I142	N136-S139 WeakPolarHBondContact O-CB 3.05Å; N136-S139 PolarHBondContact O-N 3.07Å; S139-W141 VanDerWaalsContact C-N 3.32Å; S139-W141 PolarHBondContact O-N 3.39Å; S139-I142 WeakPolarHBondContact CB-O 3.43Å; S139-I142 WeakPolarHBondContact OG-CB 3.44Å; S139-I142 PolarHBondContact OG-N 3.2Å; S139-I142 PolarHBondContact OG-O 2.91Å
140	T	72.4	Confident	84.7	Confident	90 Å²	90	65.6 Å²	65.6	55%	0.552	35%	0.351	S	S	*	.	S	Bend	trans	-66.4	-32.7	-170.3	47.4	0	0	0	0	113.4	N71 E138	N71-T140 PolarHBondContact ND2-OG1 3.46Å; E138-T140 PolarHBondContact O-N 3.19Å; E138-T140 VanDerWaalsContact O-N 3.09Å
141	W	79.2	Confident	84.7	Confident	49 Å²	49	67.3 Å²	67.3	19%	0.186	36%	0.362	C	S	.	.	S	Bend	trans	-131.4	-18.8	-170.3	-49.4	-39.1	0	0	0	114.5	T46 I47 I52 R67 Y68 N71 S139	T46-W141 CarbonylContact C-O 3.02Å; T46-W141 WeakPolarHBondContact CA-O 2.87Å; I47-W141 PolarHBondContact N-O 2.87Å; I52-W141 HydrophobicContact CD1-CB 4.48Å; I52-W141 HydrophobicContact CD1-CD2 3.82Å; I52-W141 HydrophobicContact CD1-CG 3.74Å; I52-W141 HydrophobicContact CD1-CZ2 4.38Å; R67-W141 HydrophobicContact CB-CH2 4.33Å; R67-W141 HydrophobicContact CB-CZ3 4.49Å; R67-W141 VanDerWaalsContact CD-CH2 3.45Å; R67-W141 HydrophobicContact CG-CH2 3.67Å; R67-W141 HydrophobicContact CG-CZ3 4.1Å; Y68-W141 HydrophobicContact CD2-CB 4.34Å; Y68-W141 HydrophobicContact CD2-CD2 4.31Å; Y68-W141 AromaticContact CD2-CE3 3.45Å; Y68-W141 HydrophobicContact CD2-CE3 3.45Å; Y68-W141 VanDerWaalsContact CD2-CE3 3.45Å; Y68-W141 HydrophobicContact CD2-CZ3 4.1Å; Y68-W141 HydrophobicContact CE2-CB 3.96Å; Y68-W141 HydrophobicContact CE2-CE3 4.19Å; Y68-W141 HydrophobicContact CG-CE3 4.15Å; Y68-W141 HydrophobicContact CG-CZ3 4.44Å; N71-W141 HydrophobicContact CB-CE3 4.3Å; N71-W141 HydrophobicContact CB-CZ3 4.46Å; N71-W141 WeakPolarHBondContact ND2-CZ3 3.45Å; S139-W141 VanDerWaalsContact C-N 3.32Å; S139-W141 PolarHBondContact O-N 3.39Å
142	I	85.5	Confident	84.5	Confident	6 Å²	6	70.7 Å²	70.7	3%	0.031	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.3	-174	-59.6	162.6	0	0	0	107.9	V44 S45 Y68 N71 V72 V75 V135 S139	V44-I142 HydrophobicContact CG1-CB 4.18Å; V44-I142 HydrophobicContact CG1-CD1 4.37Å; V44-I142 HydrophobicContact CG1-CG1 3.89Å; V44-I142 HydrophobicContact CG1-CG2 3.4Å; V44-I142 VanDerWaalsContact CG1-CG2 3.4Å; S45-I142 WeakPolarHBondContact O-CA 3.48Å; Y68-I142 HydrophobicContact CE2-CG1 4.28Å; Y68-I142 WeakPolarHBondContact OH-CG1 3.34Å; N71-I142 HydrophobicContact CB-CD1 4.46Å; V72-I142 HydrophobicContact CB-CD1 4.18Å; V72-I142 HydrophobicContact CG2-CD1 3.57Å; V75-I142 HydrophobicContact CB-CD1 4.46Å; V75-I142 HydrophobicContact CG2-CD1 3.96Å; V135-I142 HydrophobicContact CG1-CG2 4.34Å; V135-I142 WeakPolarHBondContact CG1-O 3.5Å; V135-I142 HydrophobicContact CG2-CG2 4.46Å; S139-I142 WeakPolarHBondContact CB-O 3.43Å; S139-I142 WeakPolarHBondContact OG-CB 3.44Å; S139-I142 PolarHBondContact OG-N 3.2Å; S139-I142 PolarHBondContact OG-O 2.91Å
143	T	85.6	Confident	84.3	Confident	65 Å²	65	72 Å²	72	40%	0.399	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-36.8	175.6	54.7	0	0	0	0	112.2	S45 I47	S45-T143 WeakPolarHBondContact CB-OG1 3.04Å; S45-T143 PolarHBondContact O-N 2.82Å; S45-T143 PolarHBondContact O-OG1 3.18Å; S45-T143 PolarHBondContact OG-OG1 3.16Å; I47-T143 HydrophobicContact CD1-CG2 3.63Å; I47-T143 HydrophobicContact CG1-CG2 3.28Å
144	D	89	Confident	83.9	Confident	71 Å²	71	72.7 Å²	72.7	38%	0.38	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	157.9	-173.4	-152.5	-2.9	0	0	0	112.4	S45	S45-D144 PolarHBondContact N-O 3.49Å
145	I	91.2	Very high	83.2	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.015	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	102.8	167	-59.3	178.5	0	0	0	107.5	V75 V76 L79 L130 V148	V75-I145 HydrophobicContact CG1-CD1 4.36Å; V76-I145 HydrophobicContact CG2-CD1 4.32Å; L79-I145 HydrophobicContact CD1-CD1 3.82Å; L130-I145 HydrophobicContact CB-CD1 4.45Å; L130-I145 HydrophobicContact CB-CG2 4.49Å; L130-I145 HydrophobicContact CD2-CD1 4.19Å; I145-V148 HydrophobicContact CG2-CG2 4.03Å
146	I	91.2	Very high	82.6	Confident	81 Å²	81	70.9 Å²	70.9	42%	0.415	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-41.9	-170.2	-57.7	174.7	0	0	0	111.6	N43 T101	N43-I146 HydrophobicContact CB-CB 4.44Å; N43-I146 PolarHBondContact O-N 3.03Å; T101-I146 HydrophobicContact CG2-CD1 3.32Å
147	S	93	Very high	82.4	Confident	47 Å²	47	70 Å²	70	33%	0.329	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	150.4	-176.8	66.4	0	0	0	0	112.2	N43 E131	N43-S147 VanDerWaalsContact CB-OG 3.27Å; N43-S147 WeakPolarHBondContact CB-OG 3.04Å; N43-S147 PolarHBondContact N-O 3.46Å; E131-S147 WeakPolarHBondContact OE1-CA 3.39Å
148	V	94.5	Very high	83.2	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.2	175.9	-178.2	0	0	0	0	109.9	T40 L42 F123 K127 L130 E131 I145	T40-V148 HydrophobicContact CG2-CG1 4.45Å; T40-V148 VanDerWaalsContact OG1-CG1 3.32Å; T40-V148 WeakPolarHBondContact OG1-CG1 3.03Å; L42-V148 HydrophobicContact CD2-CB 4.25Å; L42-V148 HydrophobicContact CD2-CG1 3.85Å; L42-V148 HydrophobicContact CD2-CG2 3.68Å; F123-V148 HydrophobicContact CE2-CG1 3.98Å; F123-V148 HydrophobicContact CZ-CG1 4.18Å; K127-V148 VanDerWaalsContact CE-O 3.27Å; K127-V148 WeakPolarHBondContact CE-O 3.34Å; K127-V148 HydrophobicContact CG-CB 4.21Å; K127-V148 PolarHBondContact NZ-O 2.9Å; L130-V148 HydrophobicContact CB-CG2 3.9Å; L130-V148 HydrophobicContact CD1-CG2 4.12Å; E131-V148 HydrophobicContact CG-CB 4.44Å; E131-V148 HydrophobicContact CG-CG2 3.98Å; E131-V148 PolarHBondContact OE1-N 2.81Å; I145-V148 HydrophobicContact CG2-CG2 4.03Å
149	S	93.8	Very high	84	Confident	37 Å²	37	53.6 Å²	53.6	26%	0.259	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-73	154.7	178.5	84.7	0	0	0	0	111.8	T40 T41 F123	T40-S149 PolarHBondContact OG1-O 2.97Å; T41-S149 PolarHBondContact N-OG 3.41Å; T41-S149 PolarHBondContact O-N 3.23Å; F123-S149 WeakPolarHBondContact CZ-O 3.13Å
150	D	92.6	Very high	84.7	Confident	107 Å²	107	54.7 Å²	54.7	57%	0.572	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-58.8	142.7	170.8	-62.4	-24.2	0	0	0	110.8	F123 K152	F123-D150 HydrophobicContact CE1-CB 4.39Å; F123-D150 WeakPolarHBondContact CE1-OD1 3.22Å; D150-K152 PolarHBondContact O-N 2.79Å
151	P	92.1	Very high	85.4	Confident	36 Å²	36	50.5 Å²	50.5	23%	0.234	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-70.1	132.7	-176.4	28.3	-32.5	0	0	0	109.6	V38 V39 W122 F123	V38-P151 HydrophobicContact CB-CB 3.94Å; V38-P151 HydrophobicContact CG1-CB 4.41Å; V38-P151 HydrophobicContact CG2-CB 4.21Å; V39-P151 WeakPolarHBondContact O-CA 3.3Å; W122-P151 HydrophobicContact CH2-CB 3.92Å; W122-P151 HydrophobicContact CH2-CG 3.88Å; W122-P151 HydrophobicContact CZ2-CB 4.44Å; W122-P151 HydrophobicContact CZ2-CG 4.14Å; F123-P151 HydrophobicContact CB-CG 4.41Å; F123-P151 HydrophobicContact CD1-CG 4.24Å; F123-P151 HydrophobicContact CD2-CG 3.88Å; F123-P151 HydrophobicContact CE2-CG 4.26Å; F123-P151 HydrophobicContact CG-CG 3.89Å
152	K	90.4	Very high	85.8	Confident	143 Å²	143	50.5 Å²	50.5	62%	0.622	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.9	176.6	-63.5	178.5	-174.2	170.7	0	109.1	V38 V39 D150 L154	V38-K152 CarbonylContact C-O 3.28Å; V38-K152 WeakPolarHBondContact CA-O 3.06Å; V39-K152 PolarHBondContact N-O 2.92Å; V39-K152 PolarHBondContact O-N 3.44Å; D150-K152 PolarHBondContact O-N 2.79Å; K152-L154 PolarHBondContact O-N 3.39Å
153	P	86.5	Confident	85.9	Confident	98 Å²	98	52.8 Å²	52.8	64%	0.636	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	138.4	174.5	28.2	-33.7	0	0	0	109.3
154	L	80.8	Confident	86	Confident	29 Å²	29	53.4 Å²	53.4	15%	0.152	28%	0.282	C	S	.	.			trans	-90.1	124.8	172.9	-168.7	81.5	0	0	0	110	I37 V39 K152 R156 Y211	I37-L154 HydrophobicContact CB-CB 4.37Å; I37-L154 HydrophobicContact CG2-CB 4.26Å; I37-L154 HydrophobicContact CG2-CD2 4.48Å; I37-L154 PolarHBondContact O-N 2.87Å; V39-L154 HydrophobicContact CG2-CB 4.45Å; V39-L154 HydrophobicContact CG2-CD1 4.46Å; K152-L154 PolarHBondContact O-N 3.39Å; L154-R156 VanDerWaalsContact C-N 3.34Å; L154-R156 HydrophobicContact CD2-CB 4.3Å; L154-R156 HydrophobicContact CG-CB 4.31Å; L154-R156 HydrophobicContact CG-CG 4.31Å; L154-R156 PolarHBondContact O-N 3.45Å; L154-Y211 HydrophobicContact CD2-CD1 3.35Å; L154-Y211 HydrophobicContact CD2-CD2 4.04Å; L154-Y211 HydrophobicContact CD2-CE1 2.95Å; L154-Y211 HydrophobicContact CD2-CE2 3.65Å; L154-Y211 HydrophobicContact CD2-CG 3.88Å; L154-Y211 WeakPolarHBondContact CD2-OH 3.22Å; L154-Y211 HydrophobicContact CG-CE1 4.43Å
155	D	70.9	Confident	85.8	Confident	76 Å²	76	51.8 Å²	51.8	41%	0.406	27%	0.27	S	S	.	.			trans	-95.4	35.8	-172.9	65.6	-23.2	0	0	0	113.7	S32	S32-D155 PolarHBondContact N-O 2.93Å; S32-D155 CarbonylContact O-C 3.54Å; S32-D155 VanDerWaalsContact O-C 3.24Å
156	R	72.1	Confident	85.5	Confident	59 Å²	59	52.9 Å²	52.9	22%	0.223	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-127.8	125.1	-171.6	-57.4	-173.1	-178.3	-150.8	0.8	113.3	L154 N223	L154-R156 VanDerWaalsContact C-N 3.34Å; L154-R156 HydrophobicContact CD2-CB 4.3Å; L154-R156 HydrophobicContact CG-CB 4.31Å; L154-R156 HydrophobicContact CG-CG 4.31Å; L154-R156 PolarHBondContact O-N 3.45Å; R156-N223 PolarHBondContact NH1-ND2 3.02Å; R156-N223 PolarHBondContact NH1-OD1 2.77Å; R156-N223 PolarHBondContact NH2-ND2 3.04Å
157	E	72.7	Confident	85.1	Confident	79 Å²	79	55.4 Å²	55.4	37%	0.369	29%	0.291	S	S	.	.	S	Bend	trans	-84	-44.5	171.5	-105.5	175.5	-164.6	0	0	112.7	S32 N210 Y211	S32-E157 WeakPolarHBondContact CB-OE1 3.47Å; S32-E157 VanDerWaalsContact OG-CG 3.29Å; S32-E157 WeakPolarHBondContact OG-CG 3.19Å; S32-E157 PolarHBondContact OG-OE1 3.37Å; E157-N210 PolarHBondContact O-ND2 3.14Å; E157-Y211 PolarHBondContact O-N 2.71Å; E157-Y211 VanDerWaalsContact O-N 3.08Å
158	S	79.3	Confident	84.6	Confident	12 Å²	12	60.7 Å²	60.7	8%	0.084	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	154.5	-171.5	62.3	0	0	0	0	112.1	M209	S158-M209 CarbonylContact C-O 3.57Å; S158-M209 VanDerWaalsContact CA-O 3.27Å; S158-M209 WeakPolarHBondContact CA-O 3.03Å; S158-M209 WeakPolarHBondContact CB-O 3.15Å
159	Y	81.8	Confident	84	Confident	9 Å²	9	62.8 Å²	62.8	4%	0.035	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121	171.6	-174.4	-89.1	0	0	0	108.6	F161 E208 M209 N223 I226 Y227 I230	Y159-F161 HydrophobicContact CE1-CB 4.06Å; Y159-E208 WeakPolarHBondContact O-CA 3.04Å; Y159-M209 HydrophobicContact CD1-CE 3.77Å; Y159-M209 HydrophobicContact CE1-CE 4.34Å; Y159-M209 PolarHBondContact N-O 3.28Å; Y159-M209 PolarHBondContact O-N 2.74Å; Y159-N223 HydrophobicContact CE2-CB 3.91Å; Y159-N223 WeakPolarHBondContact CE2-OD1 3.32Å; Y159-N223 PolarHBondContact OH-O 3.34Å; Y159-N223 VanDerWaalsContact OH-O 3.14Å; Y159-I226 HydrophobicContact CD1-CG2 3.78Å; Y159-I226 HydrophobicContact CD2-CD1 4.25Å; Y159-I226 HydrophobicContact CD2-CG2 4.26Å; Y159-I226 HydrophobicContact CE1-CB 4.38Å; Y159-I226 HydrophobicContact CE1-CG2 3.59Å; Y159-I226 HydrophobicContact CE2-CB 4.17Å; Y159-I226 HydrophobicContact CE2-CD1 4.47Å; Y159-I226 HydrophobicContact CE2-CG2 4.11Å; Y159-I226 HydrophobicContact CG-CG2 4.1Å; Y159-Y227 WeakPolarHBondContact OH-CB 3.41Å; Y159-Y227 PolarHBondContact OH-N 3.1Å; Y159-I230 HydrophobicContact CD1-CD1 4.22Å; Y159-I230 HydrophobicContact CE1-CD1 3.66Å
160	L	84.3	Confident	83.4	Confident	49 Å²	49	61 Å²	61	26%	0.257	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	119.2	177.4	-177.2	63.8	0	0	0	109.7	I162	L160-I162 HydrophobicContact CD1-CG1 4.34Å; L160-I162 HydrophobicContact CD2-CD1 3.95Å; L160-I162 HydrophobicContact CD2-CG1 4.38Å; L160-I162 HydrophobicContact CG-CD1 4.17Å; L160-I162 HydrophobicContact CG-CG1 4.04Å
161	F	86.4	Confident	82.8	Confident	1 Å²	1	60.3 Å²	60.3	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.9	170.8	178.9	-85.2	0	0	0	109.1	Y159 K163 K206 T207 Y227 I230 I234	Y159-F161 HydrophobicContact CE1-CB 4.06Å; F161-K163 HydrophobicContact CD1-CB 4.48Å; F161-K163 HydrophobicContact CE1-CB 3.54Å; F161-K163 HydrophobicContact CZ-CB 3.68Å; F161-K163 HydrophobicContact CZ-CG 4.43Å; F161-K206 CarbonylContact O-C 3.59Å; F161-K206 WeakPolarHBondContact O-CA 3.35Å; F161-T207 WeakPolarHBondContact CB-OG1 3.24Å; F161-T207 PolarHBondContact N-O 3.29Å; F161-T207 PolarHBondContact O-N 3.3Å; F161-Y227 AromaticContact CD2-CD2 3.5Å; F161-Y227 HydrophobicContact CD2-CD2 3.5Å; F161-Y227 VanDerWaalsContact CD2-CD2 3.5Å; F161-Y227 AromaticContact CD2-CE2 3.87Å; F161-Y227 HydrophobicContact CD2-CE2 3.87Å; F161-Y227 HydrophobicContact CD2-CG 4.38Å; F161-Y227 AromaticContact CE2-CD2 3.18Å; F161-Y227 HydrophobicContact CE2-CD2 3.18Å; F161-Y227 AromaticContact CE2-CE2 3.17Å; F161-Y227 HydrophobicContact CE2-CE2 3.17Å; F161-Y227 HydrophobicContact CE2-CG 4.01Å; F161-Y227 HydrophobicContact CZ-CD2 4.3Å; F161-Y227 AromaticContact CZ-CE2 3.89Å; F161-Y227 HydrophobicContact CZ-CE2 3.89Å; F161-I230 HydrophobicContact CB-CD1 3.7Å; F161-I230 HydrophobicContact CD1-CG2 3.85Å; F161-I230 HydrophobicContact CD2-CB 4.05Å; F161-I230 HydrophobicContact CD2-CD1 3.72Å; F161-I230 HydrophobicContact CD2-CG2 3.9Å; F161-I230 HydrophobicContact CE1-CG2 3.88Å; F161-I230 HydrophobicContact CE2-CB 4.04Å; F161-I230 HydrophobicContact CE2-CG2 3.88Å; F161-I230 HydrophobicContact CG-CB 4.44Å; F161-I230 HydrophobicContact CG-CD1 3.87Å; F161-I230 HydrophobicContact CG-CG2 3.87Å; F161-I230 HydrophobicContact CZ-CB 4.49Å; F161-I230 HydrophobicContact CZ-CG2 3.9Å; F161-I234 HydrophobicContact CD1-CD1 4.45Å; F161-I234 HydrophobicContact CE1-CD1 3.58Å; F161-I234 HydrophobicContact CZ-CD1 3.95Å
162	I	87.2	Confident	82.4	Confident	50 Å²	50	63.4 Å²	63.4	26%	0.256	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.6	171.9	-54.6	-179.5	0	0	0	107.4	L160 I205 K206	L160-I162 HydrophobicContact CD1-CG1 4.34Å; L160-I162 HydrophobicContact CD2-CD1 3.95Å; L160-I162 HydrophobicContact CD2-CG1 4.38Å; L160-I162 HydrophobicContact CG-CD1 4.17Å; L160-I162 HydrophobicContact CG-CG1 4.04Å; I162-I205 WeakPolarHBondContact CA-O 3.13Å; I162-K206 HydrophobicContact CB-CG 4.46Å; I162-K206 HydrophobicContact CD1-CD 4.27Å; I162-K206 HydrophobicContact CG1-CD 4.24Å; I162-K206 HydrophobicContact CG1-CG 4.02Å; I162-K206 HydrophobicContact CG2-CG 4.13Å
163	K	87.7	Confident	82.3	Confident	53 Å²	53	60.7 Å²	60.7	23%	0.23	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	132.8	173.8	-172.7	69.9	175.6	-175.6	0	110.4	F161 Y165 N204 I205	F161-K163 HydrophobicContact CD1-CB 4.48Å; F161-K163 HydrophobicContact CE1-CB 3.54Å; F161-K163 HydrophobicContact CZ-CB 3.68Å; F161-K163 HydrophobicContact CZ-CG 4.43Å; K163-Y165 HydrophobicContact CB-CD2 4.26Å; K163-Y165 HydrophobicContact CB-CE2 3.64Å; K163-Y165 HydrophobicContact CG-CD2 4.06Å; K163-Y165 HydrophobicContact CG-CE1 4.39Å; K163-Y165 HydrophobicContact CG-CE2 3.52Å; K163-N204 WeakPolarHBondContact O-CA 3.09Å; K163-I205 PolarHBondContact N-O 3.27Å; K163-I205 PolarHBondContact O-N 3.12Å
164	D	88.8	Confident	82.4	Confident	78 Å²	78	59.1 Å²	59.1	42%	0.417	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.3	170.3	-165.8	-8.7	0	0	0	109.5	G166 N204	D164-G166 WeakPolarHBondContact OD1-CA 3.32Å; D164-G166 PolarHBondContact OD1-N 3.33Å; D164-N204 VanDerWaalsContact CA-OD1 3.23Å; D164-N204 WeakPolarHBondContact CA-OD1 3.48Å; D164-N204 WeakPolarHBondContact CB-OD1 3.44Å; D164-N204 PolarHBondContact N-OD1 2.98Å
165	Y	85.3	Confident	83	Confident	37 Å²	37	58.5 Å²	58.5	15%	0.145	30%	0.302	C	S	.	.			trans	-111.4	-1.6	172.6	-70.1	-88.9	0	0	0	112	K163 V169 G203 I205 H231 I234 M235 L238	K163-Y165 HydrophobicContact CB-CD2 4.26Å; K163-Y165 HydrophobicContact CB-CE2 3.64Å; K163-Y165 HydrophobicContact CG-CD2 4.06Å; K163-Y165 HydrophobicContact CG-CE1 4.39Å; K163-Y165 HydrophobicContact CG-CE2 3.52Å; Y165-V169 WeakPolarHBondContact O-CB 3.4Å; Y165-V169 WeakPolarHBondContact O-CG2 3.17Å; Y165-G203 PolarHBondContact N-O 3.05Å; Y165-I205 HydrophobicContact CD2-CB 4.3Å; Y165-I205 HydrophobicContact CD2-CD1 3.57Å; Y165-I205 HydrophobicContact CD2-CG1 3.92Å; Y165-I205 HydrophobicContact CE2-CB 4.27Å; Y165-I205 HydrophobicContact CE2-CD1 3.77Å; Y165-I205 HydrophobicContact CE2-CG1 4.27Å; Y165-I205 HydrophobicContact CG-CD1 4.38Å; Y165-H231 PolarHBondContact OH-CD2 2.98Å; Y165-I234 HydrophobicContact CD2-CG2 4.37Å; Y165-I234 HydrophobicContact CE1-CG2 3.93Å; Y165-I234 HydrophobicContact CE2-CD1 4.04Å; Y165-I234 HydrophobicContact CE2-CG2 3.69Å; Y165-I234 VanDerWaalsContact CZ-CG2 3.43Å; Y165-I234 WeakPolarHBondContact OH-CG2 3.47Å; Y165-M235 HydrophobicContact CE1-SD 4.15Å; Y165-L238 HydrophobicContact CD1-CD1 4.18Å; Y165-L238 HydrophobicContact CG-CD1 4.28Å
166	G	84.3	Confident	84	Confident	27 Å²	27	59 Å²	59	28%	0.278	31%	0.311	S	S	.	.			trans	84.9	149.7	-178.2	0	0	0	0	0	113.8	D164 N168 V169 V170 G203	D164-G166 WeakPolarHBondContact OD1-CA 3.32Å; D164-G166 PolarHBondContact OD1-N 3.33Å; G166-N168 PolarHBondContact O-N 3.49Å; G166-N168 VanDerWaalsContact O-N 3.15Å; G166-V169 PolarHBondContact O-N 3.4Å; G166-V170 PolarHBondContact O-N 3.06Å; G166-G203 PolarHBondContact N-O 2.88Å
167	K	82.6	Confident	85	Confident	134 Å²	134	60.4 Å²	60.4	58%	0.583	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.5	-175.1	-53.3	-176.5	-168.5	-158.7	0	114.3	V169 K201	K167-V169 VanDerWaalsContact C-N 3.3Å; K167-K201 WeakPolarHBondContact CD-O 3.38Å; K167-K201 WeakPolarHBondContact CE-O 3.39Å; K167-K201 PolarHBondContact NZ-O 3Å
168	N	82.1	Confident	86	Confident	158 Å²	158	56.7 Å²	56.7	85%	0.845	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.5	179.1	-63.5	-20.1	0	0	0	112.4	G166	G166-N168 PolarHBondContact O-N 3.49Å; G166-N168 VanDerWaalsContact O-N 3.15Å
169	V	82	Confident	86.7	Confident	46 Å²	46	59.2 Å²	59.2	28%	0.279	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-47.4	-178	-176.3	0	0	0	0	110.1	Y165 G166 K167 T171 L238 F239	Y165-V169 WeakPolarHBondContact O-CB 3.4Å; Y165-V169 WeakPolarHBondContact O-CG2 3.17Å; G166-V169 PolarHBondContact O-N 3.4Å; K167-V169 VanDerWaalsContact C-N 3.3Å; V169-T171 PolarHBondContact O-N 3.14Å; V169-L238 HydrophobicContact CG1-CB 4.36Å; V169-L238 HydrophobicContact CG1-CD1 3.64Å; V169-L238 HydrophobicContact CG1-CD2 4.13Å; V169-L238 HydrophobicContact CG1-CG 4.26Å; V169-F239 HydrophobicContact CG1-CZ 3.97Å
170	V	80.8	Confident	87.3	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.006	34%	0.342	C	S	.	.			trans	-85.9	89.6	177.2	-177	0	0	0	0	109.5	G166 F198 V200 G203 I205	G166-V170 PolarHBondContact O-N 3.06Å; V170-F198 HydrophobicContact CG1-CB 3.87Å; V170-F198 HydrophobicContact CG1-CD1 4.04Å; V170-F198 HydrophobicContact CG1-CG 4.45Å; V170-V200 HydrophobicContact CG1-CG2 4.4Å; V170-V200 WeakPolarHBondContact O-CA 3.48Å; V170-V200 WeakPolarHBondContact O-CG1 3.32Å; V170-G203 WeakPolarHBondContact CG2-O 3.35Å; V170-I205 HydrophobicContact CG2-CD1 4.03Å; V170-I205 HydrophobicContact CG2-CG1 3.81Å
171	T	80.4	Confident	87.7	Confident	91 Å²	91	63.7 Å²	63.7	56%	0.558	33%	0.333	S	S	*	.			trans	-100.8	-23.1	-174.6	55.2	0	0	0	0	114.1	V169	V169-T171 PolarHBondContact O-N 3.14Å
172	I	84.5	Confident	88	Confident	102 Å²	102	63.6 Å²	63.6	52%	0.523	33%	0.333	S	S	.	.	S	Bend	trans	-149.9	158.2	-179.8	-168.3	167.8	0	0	0	109.2	K174	I172-K174 HydrophobicContact CG2-CD 4.32Å; I172-K174 HydrophobicContact CG2-CG 3.71Å; I172-K174 PolarHBondContact O-N 2.65Å
173	D	87	Confident	88.3	Confident	85 Å²	85	62.6 Å²	62.6	46%	0.455	33%	0.331	S	S	.	.			trans	-66.8	118.3	168	-170.1	2	0	0	0	110.6	C175 F198	D173-C175 VanDerWaalsContact OD1-CB 3.22Å; D173-C175 WeakPolarHBondContact OD1-CB 3.11Å; D173-C175 PolarHBondContact OD1-N 3.18Å; D173-F198 HydrophobicContact CB-CB 4.44Å
174	K	90.2	Very high	88.5	Confident	65 Å²	65	67.3 Å²	67.3	28%	0.283	35%	0.347	S	S	.	.			trans	-119.7	29.9	178.3	-63.9	-170.7	175.4	-175.8	0	111.6	I172 S176 E177 L178 F198 L237	I172-K174 HydrophobicContact CG2-CD 4.32Å; I172-K174 HydrophobicContact CG2-CG 3.71Å; I172-K174 PolarHBondContact O-N 2.65Å; K174-S176 VanDerWaalsContact C-N 3.34Å; K174-S176 PolarHBondContact O-N 2.75Å; K174-E177 WeakPolarHBondContact CA-OE2 3.34Å; K174-E177 HydrophobicContact CB-CB 4.45Å; K174-E177 PolarHBondContact O-N 2.92Å; K174-L178 WeakPolarHBondContact O-CB 3.35Å; K174-L178 PolarHBondContact O-N 3.41Å; K174-F198 HydrophobicContact CB-CD1 4.48Å; K174-F198 HydrophobicContact CB-CE1 4.14Å; K174-F198 HydrophobicContact CB-CZ 4.29Å; K174-L237 HydrophobicContact CB-CD2 3.9Å; K174-L237 HydrophobicContact CD-CD1 4.32Å; K174-L237 HydrophobicContact CD-CD2 4.43Å; K174-L237 HydrophobicContact CD-CG 4.29Å
175	C	92.2	Very high	88.5	Confident	16 Å²	16	66.7 Å²	66.7	11%	0.108	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-39.4	-173.6	-169.9	0	0	0	0	113.3	D173 L178 K179 C196 F198	D173-C175 VanDerWaalsContact OD1-CB 3.22Å; D173-C175 WeakPolarHBondContact OD1-CB 3.11Å; D173-C175 PolarHBondContact OD1-N 3.18Å; C175-L178 PolarHBondContact O-N 3.36Å; C175-K179 WeakPolarHBondContact O-CG 3.49Å; C175-K179 PolarHBondContact O-N 3.42Å; C175-C196 WeakPolarHBondContact CA-SG 3.42Å; C175-C196 HydrophobicContact CB-CB 4.34Å; C175-C196 WeakPolarHBondContact CB-SG 3.27Å; C175-C196 WeakPolarHBondContact SG-CB 3.33Å; C175-C196 CovalentContact SG-SG 2.03Å; C175-C196 PolarHBondContact SG-SG 2.91Å; C175-F198 HydrophobicContact CB-CD2 4.31Å; C175-F198 HydrophobicContact CB-CE2 4.33Å
176	S	91.9	Very high	88.7	Confident	86 Å²	86	65.1 Å²	65.1	60%	0.601	33%	0.333	S	S	*	.	H	α-helix	trans	-64.9	-46.1	178.2	-63.5	0	0	0	0	111.3	K174 L178 K179 E180	K174-S176 VanDerWaalsContact C-N 3.34Å; K174-S176 PolarHBondContact O-N 2.75Å; S176-L178 VanDerWaalsContact C-N 3.32Å; S176-L178 PolarHBondContact O-N 3.27Å; S176-K179 PolarHBondContact O-N 3.43Å; S176-E180 PolarHBondContact O-N 3.25Å
177	E	93.4	Very high	88.8	Confident	90 Å²	90	67 Å²	67	42%	0.421	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-38.9	176.9	-61.3	85.8	163.2	0	0	111	K174 K179 E180 V181 L237	K174-E177 WeakPolarHBondContact CA-OE2 3.34Å; K174-E177 HydrophobicContact CB-CB 4.45Å; K174-E177 PolarHBondContact O-N 2.92Å; E177-K179 VanDerWaalsContact C-N 3.35Å; E177-K179 PolarHBondContact O-N 3.04Å; E177-E180 PolarHBondContact O-N 3.31Å; E177-V181 VanDerWaalsContact O-CG2 3.27Å; E177-V181 WeakPolarHBondContact O-CG2 3.41Å; E177-V181 PolarHBondContact O-N 3.2Å; E177-L237 HydrophobicContact CB-CD1 3.56Å
178	L	93.9	Very high	89.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.2	-46.8	173.9	-179.2	60.1	0	0	0	111	K174 C175 S176 E180 V181 M182 F198 I205 T207 I234 L237	K174-L178 WeakPolarHBondContact O-CB 3.35Å; K174-L178 PolarHBondContact O-N 3.41Å; C175-L178 PolarHBondContact O-N 3.36Å; S176-L178 VanDerWaalsContact C-N 3.32Å; S176-L178 PolarHBondContact O-N 3.27Å; L178-E180 VanDerWaalsContact C-N 3.31Å; L178-E180 PolarHBondContact O-N 3.36Å; L178-V181 PolarHBondContact O-N 3.2Å; L178-M182 HydrophobicContact CD1-CG 4.17Å; L178-M182 HydrophobicContact CD1-SD 4.18Å; L178-M182 HydrophobicContact CD2-SD 4.29Å; L178-M182 HydrophobicContact CG-CG 4.31Å; L178-M182 HydrophobicContact CG-SD 3.8Å; L178-M182 WeakPolarHBondContact O-CB 2.99Å; L178-M182 WeakPolarHBondContact O-CG 3.32Å; L178-M182 PolarHBondContact O-N 2.84Å; L178-F198 HydrophobicContact CB-CE2 4.19Å; L178-F198 HydrophobicContact CB-CZ 4.01Å; L178-F198 HydrophobicContact CD2-CE2 3.78Å; L178-F198 HydrophobicContact CD2-CZ 3.75Å; L178-F198 HydrophobicContact CG-CZ 4.37Å; L178-I205 HydrophobicContact CD2-CG2 4.46Å; L178-T207 HydrophobicContact CD2-CG2 3.96Å; L178-I234 HydrophobicContact CD1-CB 4.47Å; L178-I234 HydrophobicContact CD1-CG1 3.63Å; L178-I234 HydrophobicContact CD2-CG1 4.11Å; L178-L237 HydrophobicContact CB-CD2 3.73Å; L178-L237 HydrophobicContact CD1-CD2 4.04Å; L178-L237 HydrophobicContact CG-CD2 4.43Å
179	K	94.2	Very high	89.6	Confident	66 Å²	66	53.7 Å²	53.7	29%	0.287	28%	0.278	S	S	.	.	H	α-helix	trans	-60.5	-42.1	177.2	-68.1	-175.3	-167.8	-160.1	0	111.3	C175 S176 E177 M182 S183 G190 V193	C175-K179 WeakPolarHBondContact O-CG 3.49Å; C175-K179 PolarHBondContact O-N 3.42Å; S176-K179 PolarHBondContact O-N 3.43Å; E177-K179 VanDerWaalsContact C-N 3.35Å; E177-K179 PolarHBondContact O-N 3.04Å; K179-M182 PolarHBondContact O-N 3.49Å; K179-S183 PolarHBondContact O-N 2.85Å; K179-S183 PolarHBondContact O-OG 2.96Å; K179-G190 WeakPolarHBondContact O-CA 3.3Å; K179-V193 HydrophobicContact CD-CB 4.23Å; K179-V193 HydrophobicContact CG-CB 4.11Å; K179-V193 HydrophobicContact CG-CG1 4.46Å; K179-V193 HydrophobicContact CG-CG2 4.39Å; K179-V193 PolarHBondContact NZ-O 3.37Å
180	E	93.4	Very high	90	Very high	139 Å²	139	51.5 Å²	51.5	65%	0.65	27%	0.265	S	S	*	.	H	α-helix	trans	-63.2	-43.6	176.3	-70.7	-177.4	179.4	0	0	112.6	S176 E177 L178 S183 R184	S176-E180 PolarHBondContact O-N 3.25Å; E177-E180 PolarHBondContact O-N 3.31Å; L178-E180 VanDerWaalsContact C-N 3.31Å; L178-E180 PolarHBondContact O-N 3.36Å; E180-S183 PolarHBondContact O-N 3.48Å; E180-R184 WeakPolarHBondContact O-CB 2.92Å; E180-R184 PolarHBondContact O-N 2.87Å
181	V	93.3	Very high	90.5	Very high	12 Å²	12	57.8 Å²	57.8	7%	0.073	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-45.3	175.1	175.8	0	0	0	0	110.5	E177 L178 R184 R185 S233 E236 L237	E177-V181 VanDerWaalsContact O-CG2 3.27Å; E177-V181 WeakPolarHBondContact O-CG2 3.41Å; E177-V181 PolarHBondContact O-N 3.2Å; L178-V181 PolarHBondContact O-N 3.2Å; V181-R184 PolarHBondContact O-N 3.36Å; V181-R185 WeakPolarHBondContact O-CB 3.35Å; V181-R185 PolarHBondContact O-N 3.35Å; V181-S233 WeakPolarHBondContact CG1-O 3.36Å; V181-E236 HydrophobicContact CG1-CB 4.05Å; V181-E236 HydrophobicContact CG1-CG 4.06Å; V181-L237 HydrophobicContact CG2-CB 4.37Å; V181-L237 HydrophobicContact CG2-CD1 4.15Å
182	M	93	Very high	91.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.4	-51.7	177.3	-74	171.8	80.6	0	0	111.5	L178 K179 R184 R185 Y186 F189 V193 M209 I230 S233	L178-M182 HydrophobicContact CD1-CG 4.17Å; L178-M182 HydrophobicContact CD1-SD 4.18Å; L178-M182 HydrophobicContact CD2-SD 4.29Å; L178-M182 HydrophobicContact CG-CG 4.31Å; L178-M182 HydrophobicContact CG-SD 3.8Å; L178-M182 WeakPolarHBondContact O-CB 2.99Å; L178-M182 WeakPolarHBondContact O-CG 3.32Å; L178-M182 PolarHBondContact O-N 2.84Å; K179-M182 PolarHBondContact O-N 3.49Å; M182-R184 VanDerWaalsContact C-N 3.3Å; M182-R184 PolarHBondContact O-N 2.96Å; M182-R185 PolarHBondContact O-N 3.05Å; M182-Y186 CarbonylContact O-C 3.55Å; M182-Y186 WeakPolarHBondContact O-CA 3.29Å; M182-Y186 PolarHBondContact O-N 3.14Å; M182-F189 HydrophobicContact CB-CD1 4.05Å; M182-F189 HydrophobicContact CE-CD1 3.38Å; M182-F189 HydrophobicContact CE-CE1 3.22Å; M182-F189 HydrophobicContact CE-CG 4.33Å; M182-F189 HydrophobicContact CE-CZ 4.09Å; M182-F189 HydrophobicContact CG-CD1 4.26Å; M182-V193 HydrophobicContact CE-CG2 3.53Å; M182-V193 HydrophobicContact SD-CG2 3.76Å; M182-M209 HydrophobicContact CE-SD 4.31Å; M182-I230 HydrophobicContact CE-CG1 4.05Å; M182-S233 VanDerWaalsContact CG-CB 3.45Å; M182-S233 WeakPolarHBondContact CG-OG 3.4Å
183	S	93.2	Very high	91.4	Very high	29 Å²	29	49.6 Å²	49.6	20%	0.203	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-29.8	179.6	-59.5	0	0	0	0	113.3	K179 E180 Y186 G190 E191	K179-S183 PolarHBondContact O-N 2.85Å; K179-S183 PolarHBondContact O-OG 2.96Å; E180-S183 PolarHBondContact O-N 3.48Å; S183-Y186 WeakPolarHBondContact CA-O 3.33Å; S183-Y186 CarbonylContact O-C 3.24Å; S183-G190 WeakPolarHBondContact OG-CA 3.41Å; S183-G190 PolarHBondContact OG-N 2.97Å; S183-G190 VanDerWaalsContact OG-N 3.07Å; S183-E191 WeakPolarHBondContact CB-OE2 3.29Å; S183-E191 VanDerWaalsContact OG-CD 3.27Å; S183-E191 PolarHBondContact OG-OE2 2.93Å
184	R	91.2	Very high	91.5	Very high	152 Å²	152	52.3 Å²	52.3	57%	0.574	26%	0.256	S	S	*	.	H	α-helix	trans	-70.6	-40.9	175	177.3	170.7	56	105	2.3	111.9	E180 V181 M182 E236	E180-R184 WeakPolarHBondContact O-CB 2.92Å; E180-R184 PolarHBondContact O-N 2.87Å; V181-R184 PolarHBondContact O-N 3.36Å; M182-R184 VanDerWaalsContact C-N 3.3Å; M182-R184 PolarHBondContact O-N 2.96Å; R184-E236 IonicContact CZ-OE1 2.82Å; R184-E236 IonicContact NH1-OE1 3.6Å; R184-E236 PolarHBondContact NH1-OE1 3.31Å; R184-E236 IonicContact NH2-OE1 2.79Å; R184-E236 PolarHBondContact NH2-OE1 3.28Å
185	R	88.9	Confident	91.4	Very high	64 Å²	64	51.7 Å²	51.7	24%	0.242	26%	0.26	C	S	.	.	H	α-helix	trans	-80.6	-38.1	-179.4	-166.7	173.4	-179.8	120.3	0.1	112	V181 M182 E236	V181-R185 WeakPolarHBondContact O-CB 3.35Å; V181-R185 PolarHBondContact O-N 3.35Å; M182-R185 PolarHBondContact O-N 3.05Å; R185-E236 IonicContact CZ-OE2 3.07Å; R185-E236 IonicContact NH1-OE2 2.63Å; R185-E236 PolarHBondContact NH1-OE2 2.88Å
186	Y	89.5	Confident	91.4	Very high	5 Å²	5	52 Å²	52	2%	0.02	26%	0.262	C	S	.	.	S	Bend	trans	-132.7	103.5	-176.4	-53	-69.3	0	0	0	108.7	L62 M182 S183 G188 F189 R229	L62-Y186 HydrophobicContact CD1-CE1 4.39Å; M182-Y186 CarbonylContact O-C 3.55Å; M182-Y186 WeakPolarHBondContact O-CA 3.29Å; M182-Y186 PolarHBondContact O-N 3.14Å; S183-Y186 WeakPolarHBondContact CA-O 3.33Å; S183-Y186 CarbonylContact O-C 3.24Å; Y186-G188 PolarHBondContact O-N 2.81Å; Y186-F189 HydrophobicContact CD2-CD1 4.08Å; Y186-F189 HydrophobicContact CG-CD1 4.49Å; Y186-F189 WeakPolarHBondContact O-CB 3.34Å; Y186-F189 PolarHBondContact O-N 3.33Å; Y186-R229 HydrophobicContact CD1-CG 4.02Å; Y186-R229 HydrophobicContact CD2-CB 3.82Å; Y186-R229 HydrophobicContact CD2-CG 4.06Å; Y186-R229 HydrophobicContact CE1-CG 3.82Å; Y186-R229 HydrophobicContact CE2-CB 3.61Å; Y186-R229 HydrophobicContact CE2-CG 3.85Å; Y186-R229 WeakPolarHBondContact CE2-O 3.37Å; Y186-R229 HydrophobicContact CG-CB 4.35Å; Y186-R229 HydrophobicContact CG-CG 4.14Å
187	P	87.8	Confident	91.2	Very high	65 Å²	65	52.9 Å²	52.9	42%	0.422	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	128.8	-173.2	-30.3	38.3	0	0	0	112.9	F189 Y219 I252	P187-F189 PolarHBondContact O-N 3.26Å; P187-Y219 PolarHBondContact O-OH 3.25Å; P187-I252 HydrophobicContact CG-CD1 4.16Å; P187-I252 HydrophobicContact CG-CG2 3.45Å; P187-I252 VanDerWaalsContact CG-CG2 3.45Å
188	G	88.3	Confident	91	Very high	13 Å²	13	48.9 Å²	48.9	13%	0.134	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	-4.5	179.3	0	0	0	0	0	115.3	Y186 E191 L192	Y186-G188 PolarHBondContact O-N 2.81Å; G188-E191 WeakPolarHBondContact CA-OE2 3.31Å; G188-L192 WeakPolarHBondContact O-CG 3.19Å
189	F	91.8	Very high	90.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-40.8	-170.9	-168.8	-120.6	0	0	0	113.1	M182 Y186 P187 E191 L192 M209 L214 Y219 I226 R229 I230	M182-F189 HydrophobicContact CB-CD1 4.05Å; M182-F189 HydrophobicContact CE-CD1 3.38Å; M182-F189 HydrophobicContact CE-CE1 3.22Å; M182-F189 HydrophobicContact CE-CG 4.33Å; M182-F189 HydrophobicContact CE-CZ 4.09Å; M182-F189 HydrophobicContact CG-CD1 4.26Å; Y186-F189 HydrophobicContact CD2-CD1 4.08Å; Y186-F189 HydrophobicContact CG-CD1 4.49Å; Y186-F189 WeakPolarHBondContact O-CB 3.34Å; Y186-F189 PolarHBondContact O-N 3.33Å; P187-F189 PolarHBondContact O-N 3.26Å; F189-E191 VanDerWaalsContact C-N 3.28Å; F189-E191 PolarHBondContact N-OE2 2.71Å; F189-E191 PolarHBondContact O-N 3.26Å; F189-L192 HydrophobicContact CD2-CD1 4.32Å; F189-L192 WeakPolarHBondContact O-CB 3.46Å; F189-L192 PolarHBondContact O-N 2.74Å; F189-M209 HydrophobicContact CE2-CE 4.4Å; F189-M209 HydrophobicContact CE2-SD 4.15Å; F189-M209 HydrophobicContact CZ-CE 4.03Å; F189-M209 HydrophobicContact CZ-SD 4.1Å; F189-L214 HydrophobicContact CD2-CD2 3.96Å; F189-L214 HydrophobicContact CE2-CD2 3.54Å; F189-Y219 HydrophobicContact CB-CE2 4.09Å; F189-Y219 HydrophobicContact CD2-CD1 4.27Å; F189-Y219 AromaticContact CD2-CD2 3.82Å; F189-Y219 HydrophobicContact CD2-CD2 3.82Å; F189-Y219 HydrophobicContact CD2-CE1 4.31Å; F189-Y219 AromaticContact CD2-CE2 3.87Å; F189-Y219 HydrophobicContact CD2-CE2 3.87Å; F189-Y219 HydrophobicContact CD2-CG 4.03Å; F189-Y219 HydrophobicContact CE2-CD2 4.49Å; F189-Y219 HydrophobicContact CE2-CG 4.32Å; F189-Y219 HydrophobicContact CG-CE2 4.44Å; F189-I226 HydrophobicContact CZ-CG2 4.2Å; F189-R229 HydrophobicContact CD1-CB 4.13Å; F189-R229 HydrophobicContact CE1-CB 3.4Å; F189-R229 HydrophobicContact CE1-CG 4.5Å; F189-R229 HydrophobicContact CE2-CB 4.45Å; F189-R229 HydrophobicContact CZ-CB 3.61Å; F189-R229 HydrophobicContact CZ-CG 4.48Å; F189-I230 HydrophobicContact CE1-CG1 4Å; F189-I230 HydrophobicContact CZ-CG1 4.05Å
190	G	91.5	Very high	90.2	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.01	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-67.1	-29.4	178.1	0	0	0	0	0	113.2	K179 S183 L192 V193	K179-G190 WeakPolarHBondContact O-CA 3.3Å; S183-G190 WeakPolarHBondContact OG-CA 3.41Å; S183-G190 PolarHBondContact OG-N 2.97Å; S183-G190 VanDerWaalsContact OG-N 3.07Å; G190-L192 PolarHBondContact O-N 3.28Å; G190-V193 WeakPolarHBondContact O-CB 3.17Å; G190-V193 PolarHBondContact O-N 2.84Å
191	E	91.3	Very high	89.7	Confident	132 Å²	132	52 Å²	52	62%	0.617	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-64.9	-20.1	175.2	-64.5	91.6	152.6	0	0	112.8	S183 G188 F189 V193	S183-E191 WeakPolarHBondContact CB-OE2 3.29Å; S183-E191 VanDerWaalsContact OG-CD 3.27Å; S183-E191 PolarHBondContact OG-OE2 2.93Å; G188-E191 WeakPolarHBondContact CA-OE2 3.31Å; F189-E191 VanDerWaalsContact C-N 3.28Å; F189-E191 PolarHBondContact N-OE2 2.71Å; F189-E191 PolarHBondContact O-N 3.26Å; E191-V193 VanDerWaalsContact C-N 3.34Å
192	L	91.8	Very high	89.4	Confident	16 Å²	16	53 Å²	53	8%	0.084	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-84.3	-10.7	-179	-60.5	166.3	0	0	0	113.2	G188 F189 G190 K194 M209 E213 L214 K217 Y219	G188-L192 WeakPolarHBondContact O-CG 3.19Å; F189-L192 HydrophobicContact CD2-CD1 4.32Å; F189-L192 WeakPolarHBondContact O-CB 3.46Å; F189-L192 PolarHBondContact O-N 2.74Å; G190-L192 PolarHBondContact O-N 3.28Å; L192-K194 PolarHBondContact O-N 3.34Å; L192-M209 HydrophobicContact CB-SD 4.49Å; L192-M209 WeakPolarHBondContact O-CG 3.49Å; L192-E213 HydrophobicContact CD2-CB 3.68Å; L192-E213 WeakPolarHBondContact CD2-O 3.23Å; L192-L214 HydrophobicContact CB-CD2 4.41Å; L192-L214 HydrophobicContact CD1-CD2 3.66Å; L192-L214 HydrophobicContact CD1-CG 4.23Å; L192-K217 HydrophobicContact CD1-CB 3.84Å; L192-K217 HydrophobicContact CD1-CG 3.89Å; L192-K217 HydrophobicContact CD2-CG 3.78Å; L192-K217 HydrophobicContact CG-CG 4.21Å; L192-Y219 HydrophobicContact CD1-CD2 4.04Å; L192-Y219 HydrophobicContact CD1-CE2 4.39Å
193	V	91.6	Very high	89	Confident	5 Å²	5	53 Å²	53	3%	0.03	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	100.7	178.2	-177.3	0	0	0	0	109.4	K179 M182 G190 E191 S195 C196 M209	K179-V193 HydrophobicContact CD-CB 4.23Å; K179-V193 HydrophobicContact CG-CB 4.11Å; K179-V193 HydrophobicContact CG-CG1 4.46Å; K179-V193 HydrophobicContact CG-CG2 4.39Å; K179-V193 PolarHBondContact NZ-O 3.37Å; M182-V193 HydrophobicContact CE-CG2 3.53Å; M182-V193 HydrophobicContact SD-CG2 3.76Å; G190-V193 WeakPolarHBondContact O-CB 3.17Å; G190-V193 PolarHBondContact O-N 2.84Å; E191-V193 VanDerWaalsContact C-N 3.34Å; V193-S195 WeakPolarHBondContact CG1-O 3.12Å; V193-C196 HydrophobicContact CG1-CB 3.51Å; V193-M209 HydrophobicContact CG2-CG 4.18Å; V193-M209 HydrophobicContact CG2-SD 4.13Å
194	K	88.9	Confident	88.7	Confident	143 Å²	143	53.2 Å²	53.2	62%	0.622	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	-50.9	178.5	178.5	-175.7	167.7	-158.6	0	111	L192 E208	L192-K194 PolarHBondContact O-N 3.34Å; K194-E208 WeakPolarHBondContact CB-O 3.21Å; K194-E208 PolarHBondContact N-O 2.84Å; K194-E208 IonicContact NZ-OE1 2.8Å; K194-E208 PolarHBondContact NZ-OE1 2.97Å; K194-E208 IonicContact NZ-OE2 3.94Å
195	S	88.3	Confident	88.6	Confident	52 Å²	52	46 Å²	46	36%	0.364	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	145.1	176	74.6	0	0	0	0	109.5	V193 T207 E208	V193-S195 WeakPolarHBondContact CG1-O 3.12Å; S195-T207 CarbonylContact O-C 3.6Å; S195-T207 WeakPolarHBondContact O-CA 3.46Å; S195-E208 PolarHBondContact N-O 3.14Å; S195-E208 PolarHBondContact O-N 3.16Å; S195-E208 WeakPolarHBondContact OG-CB 3.43Å; S195-E208 PolarHBondContact OG-OE2 3.47Å
196	C	91.9	Very high	88.7	Confident	21 Å²	21	46.7 Å²	46.7	14%	0.142	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	143.3	173.2	129.4	0	0	0	0	109.9	C175 V193 K206 T207	C175-C196 WeakPolarHBondContact CA-SG 3.42Å; C175-C196 HydrophobicContact CB-CB 4.34Å; C175-C196 WeakPolarHBondContact CB-SG 3.27Å; C175-C196 WeakPolarHBondContact SG-CB 3.33Å; C175-C196 CovalentContact SG-SG 2.03Å; C175-C196 PolarHBondContact SG-SG 2.91Å; V193-C196 HydrophobicContact CG1-CB 3.51Å; C196-K206 CarbonylContact C-O 3.53Å; C196-K206 WeakPolarHBondContact CA-O 3.28Å; C196-T207 HydrophobicContact CB-CG2 4Å
197	F	88.5	Confident	88.8	Confident	105 Å²	105	46.5 Å²	46.5	46%	0.461	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	124.4	-167.6	-177.6	-112	0	0	0	110.4	D199 I205 K206	F197-D199 HydrophobicContact CD1-CB 3.99Å; F197-D199 HydrophobicContact CE1-CB 3.42Å; F197-D199 VanDerWaalsContact CE1-CB 3.42Å; F197-D199 HydrophobicContact CZ-CB 4.15Å; F197-I205 CarbonylContact O-C 3.5Å; F197-I205 WeakPolarHBondContact O-CA 3.32Å; F197-K206 HydrophobicContact CB-CB 4.37Å; F197-K206 PolarHBondContact N-O 2.91Å; F197-K206 PolarHBondContact O-N 3.4Å
198	F	89.2	Confident	88.9	Confident	7 Å²	7	45.3 Å²	45.3	3%	0.031	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	100	175	-78.2	-114.5	0	0	0	107.7	V170 D173 K174 C175 L178 V200 I205 L237	V170-F198 HydrophobicContact CG1-CB 3.87Å; V170-F198 HydrophobicContact CG1-CD1 4.04Å; V170-F198 HydrophobicContact CG1-CG 4.45Å; D173-F198 HydrophobicContact CB-CB 4.44Å; K174-F198 HydrophobicContact CB-CD1 4.48Å; K174-F198 HydrophobicContact CB-CE1 4.14Å; K174-F198 HydrophobicContact CB-CZ 4.29Å; C175-F198 HydrophobicContact CB-CD2 4.31Å; C175-F198 HydrophobicContact CB-CE2 4.33Å; L178-F198 HydrophobicContact CB-CE2 4.19Å; L178-F198 HydrophobicContact CB-CZ 4.01Å; L178-F198 HydrophobicContact CD2-CE2 3.78Å; L178-F198 HydrophobicContact CD2-CZ 3.75Å; L178-F198 HydrophobicContact CG-CZ 4.37Å; F198-V200 PolarHBondContact O-N 3.44Å; F198-I205 HydrophobicContact CD1-CD1 3.78Å; F198-I205 HydrophobicContact CD1-CG1 3.69Å; F198-I205 HydrophobicContact CD1-CG2 4.49Å; F198-I205 HydrophobicContact CD2-CG2 4.26Å; F198-I205 HydrophobicContact CE1-CD1 3.37Å; F198-I205 HydrophobicContact CE1-CG1 3.75Å; F198-I205 HydrophobicContact CE1-CG2 4.18Å; F198-I205 HydrophobicContact CE2-CG2 3.91Å; F198-I205 HydrophobicContact CG-CG1 4.22Å; F198-I205 HydrophobicContact CZ-CD1 4.01Å; F198-I205 HydrophobicContact CZ-CG1 4.32Å; F198-I205 HydrophobicContact CZ-CG2 3.87Å; F198-L237 HydrophobicContact CE1-CD2 4.14Å; F198-L237 HydrophobicContact CZ-CD2 3.86Å
199	D	87.2	Confident	89	Confident	37 Å²	37	44.7 Å²	44.7	20%	0.198	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	94.9	179.4	-170.1	-14.7	0	0	0	110.6	F197 K201 S202 G203 N204	F197-D199 HydrophobicContact CD1-CB 3.99Å; F197-D199 HydrophobicContact CE1-CB 3.42Å; F197-D199 VanDerWaalsContact CE1-CB 3.42Å; F197-D199 HydrophobicContact CZ-CB 4.15Å; D199-K201 PolarHBondContact O-N 3.44Å; D199-K201 WeakPolarHBondContact OD1-CA 3.19Å; D199-K201 WeakPolarHBondContact OD1-CB 3.04Å; D199-K201 PolarHBondContact OD1-N 3.25Å; D199-S202 WeakPolarHBondContact CB-OG 3.4Å; D199-S202 PolarHBondContact O-N 3.43Å; D199-S202 PolarHBondContact OD1-N 3.32Å; D199-S202 WeakPolarHBondContact OD2-CB 3.38Å; D199-S202 PolarHBondContact OD2-OG 3.23Å; D199-G203 WeakPolarHBondContact O-CA 3.2Å; D199-G203 PolarHBondContact O-N 2.79Å; D199-N204 HydrophobicContact CB-CB 4.26Å; D199-N204 PolarHBondContact N-O 3.33Å; D199-N204 PolarHBondContact O-N 3.12Å
200	V	83	Confident	88.8	Confident	60 Å²	60	47.1 Å²	47.1	36%	0.364	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-32	176.6	179.9	0	0	0	0	112.3	V170 F198	V170-V200 HydrophobicContact CG1-CG2 4.4Å; V170-V200 WeakPolarHBondContact O-CA 3.48Å; V170-V200 WeakPolarHBondContact O-CG1 3.32Å; F198-V200 PolarHBondContact O-N 3.44Å
201	K	83.9	Confident	88.5	Confident	172 Å²	172	47.1 Å²	47.1	75%	0.748	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-36.2	-176.9	-68	-178.1	178.4	177.4	0	112.3	K167 D199	K167-K201 WeakPolarHBondContact CD-O 3.38Å; K167-K201 WeakPolarHBondContact CE-O 3.39Å; K167-K201 PolarHBondContact NZ-O 3Å; D199-K201 PolarHBondContact O-N 3.44Å; D199-K201 WeakPolarHBondContact OD1-CA 3.19Å; D199-K201 WeakPolarHBondContact OD1-CB 3.04Å; D199-K201 PolarHBondContact OD1-N 3.25Å
202	S	86	Confident	88.3	Confident	33 Å²	33	42.2 Å²	42.2	23%	0.231	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-22.3	-179.1	64.7	0	0	0	0	113.5	D199 N204	D199-S202 WeakPolarHBondContact CB-OG 3.4Å; D199-S202 PolarHBondContact O-N 3.43Å; D199-S202 PolarHBondContact OD1-N 3.32Å; D199-S202 WeakPolarHBondContact OD2-CB 3.38Å; D199-S202 PolarHBondContact OD2-OG 3.23Å; S202-N204 VanDerWaalsContact CB-ND2 3.29Å; S202-N204 WeakPolarHBondContact CB-ND2 3.3Å; S202-N204 WeakPolarHBondContact OG-CB 3.3Å; S202-N204 PolarHBondContact OG-ND2 3.22Å
203	G	84.9	Confident	88.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	6.9	-171.2	0	0	0	0	0	113.5	Y165 G166 V170 D199	Y165-G203 PolarHBondContact N-O 3.05Å; G166-G203 PolarHBondContact N-O 2.88Å; V170-G203 WeakPolarHBondContact CG2-O 3.35Å; D199-G203 WeakPolarHBondContact O-CA 3.2Å; D199-G203 PolarHBondContact O-N 2.79Å
204	N	88.1	Confident	88.1	Confident	34 Å²	34	45 Å²	45	18%	0.182	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	140.3	-172.9	-72	-53.4	0	0	0	113	K163 D164 D199 S202	K163-N204 WeakPolarHBondContact O-CA 3.09Å; D164-N204 VanDerWaalsContact CA-OD1 3.23Å; D164-N204 WeakPolarHBondContact CA-OD1 3.48Å; D164-N204 WeakPolarHBondContact CB-OD1 3.44Å; D164-N204 PolarHBondContact N-OD1 2.98Å; D199-N204 HydrophobicContact CB-CB 4.26Å; D199-N204 PolarHBondContact N-O 3.33Å; D199-N204 PolarHBondContact O-N 3.12Å; S202-N204 VanDerWaalsContact CB-ND2 3.29Å; S202-N204 WeakPolarHBondContact CB-ND2 3.3Å; S202-N204 WeakPolarHBondContact OG-CB 3.3Å; S202-N204 PolarHBondContact OG-ND2 3.22Å
205	I	89	Confident	88.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.8	166.2	-58.3	175.7	0	0	0	108.1	I162 K163 Y165 V170 L178 F197 F198 I234 L238	I162-I205 WeakPolarHBondContact CA-O 3.13Å; K163-I205 PolarHBondContact N-O 3.27Å; K163-I205 PolarHBondContact O-N 3.12Å; Y165-I205 HydrophobicContact CD2-CB 4.3Å; Y165-I205 HydrophobicContact CD2-CD1 3.57Å; Y165-I205 HydrophobicContact CD2-CG1 3.92Å; Y165-I205 HydrophobicContact CE2-CB 4.27Å; Y165-I205 HydrophobicContact CE2-CD1 3.77Å; Y165-I205 HydrophobicContact CE2-CG1 4.27Å; Y165-I205 HydrophobicContact CG-CD1 4.38Å; V170-I205 HydrophobicContact CG2-CD1 4.03Å; V170-I205 HydrophobicContact CG2-CG1 3.81Å; L178-I205 HydrophobicContact CD2-CG2 4.46Å; F197-I205 CarbonylContact O-C 3.5Å; F197-I205 WeakPolarHBondContact O-CA 3.32Å; F198-I205 HydrophobicContact CD1-CD1 3.78Å; F198-I205 HydrophobicContact CD1-CG1 3.69Å; F198-I205 HydrophobicContact CD1-CG2 4.49Å; F198-I205 HydrophobicContact CD2-CG2 4.26Å; F198-I205 HydrophobicContact CE1-CD1 3.37Å; F198-I205 HydrophobicContact CE1-CG1 3.75Å; F198-I205 HydrophobicContact CE1-CG2 4.18Å; F198-I205 HydrophobicContact CE2-CG2 3.91Å; F198-I205 HydrophobicContact CG-CG1 4.22Å; F198-I205 HydrophobicContact CZ-CD1 4.01Å; F198-I205 HydrophobicContact CZ-CG1 4.32Å; F198-I205 HydrophobicContact CZ-CG2 3.87Å; I205-I234 HydrophobicContact CB-CD1 4.3Å; I205-I234 HydrophobicContact CD1-CD1 4.27Å; I205-I234 HydrophobicContact CD1-CG1 4.45Å; I205-I234 HydrophobicContact CD1-CG2 3.63Å; I205-I234 HydrophobicContact CG2-CD1 3.78Å; I205-I234 HydrophobicContact CG2-CG1 4.48Å; I205-L238 HydrophobicContact CD1-CD1 4.12Å
206	K	91.3	Very high	88.2	Confident	79 Å²	79	40.4 Å²	40.4	34%	0.343	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137	178.1	-55.1	-171.5	179.2	177.9	0	110.4	F161 I162 C196 F197	F161-K206 CarbonylContact O-C 3.59Å; F161-K206 WeakPolarHBondContact O-CA 3.35Å; I162-K206 HydrophobicContact CB-CG 4.46Å; I162-K206 HydrophobicContact CD1-CD 4.27Å; I162-K206 HydrophobicContact CG1-CD 4.24Å; I162-K206 HydrophobicContact CG1-CG 4.02Å; I162-K206 HydrophobicContact CG2-CG 4.13Å; C196-K206 CarbonylContact C-O 3.53Å; C196-K206 WeakPolarHBondContact CA-O 3.28Å; F197-K206 HydrophobicContact CB-CB 4.37Å; F197-K206 PolarHBondContact N-O 2.91Å; F197-K206 PolarHBondContact O-N 3.4Å
207	T	90.8	Very high	88.1	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.6	171.5	73.2	0	0	0	0	110.5	F161 L178 S195 C196 I230	F161-T207 WeakPolarHBondContact CB-OG1 3.24Å; F161-T207 PolarHBondContact N-O 3.29Å; F161-T207 PolarHBondContact O-N 3.3Å; L178-T207 HydrophobicContact CD2-CG2 3.96Å; S195-T207 CarbonylContact O-C 3.6Å; S195-T207 WeakPolarHBondContact O-CA 3.46Å; C196-T207 HydrophobicContact CB-CG2 4Å; T207-I230 HydrophobicContact CG2-CG2 4.39Å
208	E	90.6	Very high	88.1	Confident	40 Å²	40	41.9 Å²	41.9	19%	0.187	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133	174.1	-170	-165	164	0	0	109.4	Y159 K194 S195	Y159-E208 WeakPolarHBondContact O-CA 3.04Å; K194-E208 WeakPolarHBondContact CB-O 3.21Å; K194-E208 PolarHBondContact N-O 2.84Å; K194-E208 IonicContact NZ-OE1 2.8Å; K194-E208 PolarHBondContact NZ-OE1 2.97Å; K194-E208 IonicContact NZ-OE2 3.94Å; S195-E208 PolarHBondContact N-O 3.14Å; S195-E208 PolarHBondContact O-N 3.16Å; S195-E208 WeakPolarHBondContact OG-CB 3.43Å; S195-E208 PolarHBondContact OG-OE2 3.47Å
209	M	90.4	Very high	88	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146	175.4	-65.6	-179.6	-70.8	0	0	109.8	S158 Y159 M182 F189 L192 V193 L214 I226 I230	S158-M209 CarbonylContact C-O 3.57Å; S158-M209 VanDerWaalsContact CA-O 3.27Å; S158-M209 WeakPolarHBondContact CA-O 3.03Å; S158-M209 WeakPolarHBondContact CB-O 3.15Å; Y159-M209 HydrophobicContact CD1-CE 3.77Å; Y159-M209 HydrophobicContact CE1-CE 4.34Å; Y159-M209 PolarHBondContact N-O 3.28Å; Y159-M209 PolarHBondContact O-N 2.74Å; M182-M209 HydrophobicContact CE-SD 4.31Å; F189-M209 HydrophobicContact CE2-CE 4.4Å; F189-M209 HydrophobicContact CE2-SD 4.15Å; F189-M209 HydrophobicContact CZ-CE 4.03Å; F189-M209 HydrophobicContact CZ-SD 4.1Å; L192-M209 HydrophobicContact CB-SD 4.49Å; L192-M209 WeakPolarHBondContact O-CG 3.49Å; V193-M209 HydrophobicContact CG2-CG 4.18Å; V193-M209 HydrophobicContact CG2-SD 4.13Å; M209-L214 HydrophobicContact CB-CD1 3.66Å; M209-L214 HydrophobicContact CB-CG 4.2Å; M209-L214 HydrophobicContact CE-CD1 4.29Å; M209-L214 HydrophobicContact SD-CD1 4.37Å; M209-L214 HydrophobicContact SD-CD2 4.03Å; M209-I226 HydrophobicContact CE-CG2 3.65Å; M209-I230 HydrophobicContact CE-CD1 3.46Å; M209-I230 VanDerWaalsContact CE-CD1 3.46Å; M209-I230 HydrophobicContact CE-CG1 3.97Å
210	N	87	Confident	87.9	Confident	51 Å²	51	40.8 Å²	40.8	27%	0.273	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	130.1	172.9	178.9	-78.6	0	0	0	109.5	E157 L212 E213 L214	E157-N210 PolarHBondContact O-ND2 3.14Å; N210-L212 WeakPolarHBondContact OD1-CA 3.19Å; N210-L212 VanDerWaalsContact OD1-CB 3.27Å; N210-L212 WeakPolarHBondContact OD1-CB 3.47Å; N210-L212 PolarHBondContact OD1-N 2.93Å; N210-E213 HydrophobicContact CB-CB 4.34Å; N210-E213 HydrophobicContact CB-CG 4.25Å; N210-E213 PolarHBondContact O-N 3.42Å; N210-E213 PolarHBondContact OD1-N 2.9Å; N210-E213 VanDerWaalsContact OD1-N 3.1Å; N210-L214 PolarHBondContact O-N 2.69Å; N210-L214 VanDerWaalsContact O-N 3.09Å
211	Y	85.6	Confident	87.8	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.008	19%	0.19	C	C	.	.	H	α-helix	trans	-70	-36.3	-174.2	-172.9	-79.7	0	0	0	112.6	I37 L154 E157 E213 L214 M215 C221	I37-Y211 HydrophobicContact CD1-CD1 3.61Å; I37-Y211 HydrophobicContact CD1-CE1 3.93Å; I37-Y211 HydrophobicContact CG2-CE1 4.26Å; L154-Y211 HydrophobicContact CD2-CD1 3.35Å; L154-Y211 HydrophobicContact CD2-CD2 4.04Å; L154-Y211 HydrophobicContact CD2-CE1 2.95Å; L154-Y211 HydrophobicContact CD2-CE2 3.65Å; L154-Y211 HydrophobicContact CD2-CG 3.88Å; L154-Y211 WeakPolarHBondContact CD2-OH 3.22Å; L154-Y211 HydrophobicContact CG-CE1 4.43Å; E157-Y211 PolarHBondContact O-N 2.71Å; E157-Y211 VanDerWaalsContact O-N 3.08Å; Y211-E213 VanDerWaalsContact C-N 3.32Å; Y211-E213 PolarHBondContact O-N 3.08Å; Y211-L214 WeakPolarHBondContact O-CB 3.14Å; Y211-L214 PolarHBondContact O-N 3.21Å; Y211-M215 HydrophobicContact CE1-CB 4.2Å; Y211-M215 WeakPolarHBondContact O-CB 3.38Å; Y211-M215 PolarHBondContact O-N 3.15Å; Y211-C221 VanDerWaalsContact OH-CA 3.29Å; Y211-C221 WeakPolarHBondContact OH-CA 3.4Å; Y211-C221 PolarHBondContact OH-N 2.99Å
212	L	87	Confident	87.6	Confident	28 Å²	28	31.2 Å²	31.2	15%	0.147	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-41.9	176.8	175.4	63.9	0	0	0	111.4	I37 L109 N210 M215 K216	I37-L212 HydrophobicContact CD1-CB 4.12Å; I37-L212 HydrophobicContact CD1-CD1 3.9Å; I37-L212 HydrophobicContact CG1-CD1 4.12Å; L109-L212 HydrophobicContact CD2-CD1 3.72Å; N210-L212 WeakPolarHBondContact OD1-CA 3.19Å; N210-L212 VanDerWaalsContact OD1-CB 3.27Å; N210-L212 WeakPolarHBondContact OD1-CB 3.47Å; N210-L212 PolarHBondContact OD1-N 2.93Å; L212-M215 HydrophobicContact CD1-CE 4.03Å; L212-M215 PolarHBondContact O-N 3.49Å; L212-K216 HydrophobicContact CG-CD 4.47Å; L212-K216 WeakPolarHBondContact O-CG 3.37Å; L212-K216 PolarHBondContact O-N 3.29Å
213	E	89.5	Confident	87.4	Confident	79 Å²	79	31.8 Å²	31.8	37%	0.369	16%	0.16	S	C	.	.	H	α-helix	trans	-70.3	-36	177.4	-64	-57.8	128.8	0	0	112.5	L192 N210 Y211 K216 K217	L192-E213 HydrophobicContact CD2-CB 3.68Å; L192-E213 WeakPolarHBondContact CD2-O 3.23Å; N210-E213 HydrophobicContact CB-CB 4.34Å; N210-E213 HydrophobicContact CB-CG 4.25Å; N210-E213 PolarHBondContact O-N 3.42Å; N210-E213 PolarHBondContact OD1-N 2.9Å; N210-E213 VanDerWaalsContact OD1-N 3.1Å; Y211-E213 VanDerWaalsContact C-N 3.32Å; Y211-E213 PolarHBondContact O-N 3.08Å; E213-K216 PolarHBondContact O-N 3.05Å; E213-K216 IonicContact OE1-NZ 3.99Å; E213-K216 PolarHBondContact OE1-NZ 3.09Å; E213-K217 PolarHBondContact O-N 2.8Å; E213-K217 VanDerWaalsContact O-N 3.15Å
214	L	89.6	Confident	87.2	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-56.9	-51	169.3	-81.3	164	0	0	0	111.6	F189 L192 M209 N210 Y211 K216 K217 G218 Y219 I226	F189-L214 HydrophobicContact CD2-CD2 3.96Å; F189-L214 HydrophobicContact CE2-CD2 3.54Å; L192-L214 HydrophobicContact CB-CD2 4.41Å; L192-L214 HydrophobicContact CD1-CD2 3.66Å; L192-L214 HydrophobicContact CD1-CG 4.23Å; M209-L214 HydrophobicContact CB-CD1 3.66Å; M209-L214 HydrophobicContact CB-CG 4.2Å; M209-L214 HydrophobicContact CE-CD1 4.29Å; M209-L214 HydrophobicContact SD-CD1 4.37Å; M209-L214 HydrophobicContact SD-CD2 4.03Å; N210-L214 PolarHBondContact O-N 2.69Å; N210-L214 VanDerWaalsContact O-N 3.09Å; Y211-L214 WeakPolarHBondContact O-CB 3.14Å; Y211-L214 PolarHBondContact O-N 3.21Å; L214-K216 PolarHBondContact O-N 3.46Å; L214-K217 CarbonylContact O-C 3.55Å; L214-K217 PolarHBondContact O-N 3.16Å; L214-K217 VanDerWaalsContact O-N 3.08Å; L214-G218 PolarHBondContact O-N 2.79Å; L214-Y219 CarbonylContact C-O 3.49Å; L214-Y219 WeakPolarHBondContact CB-O 3.36Å; L214-Y219 HydrophobicContact CD2-CD2 4.46Å; L214-Y219 PolarHBondContact O-N 2.93Å; L214-Y219 VanDerWaalsContact O-O 3.09Å; L214-I226 HydrophobicContact CD1-CD1 4.34Å
215	M	89.1	Confident	87.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-46.7	-179.4	-174	-77.8	-76	0	0	111.1	I37 T87 S89 A107 L109 Y211 L212 K217 G218 Y219 C220	I37-M215 HydrophobicContact CD1-CE 4.31Å; I37-M215 HydrophobicContact CG1-CE 4.11Å; T87-M215 HydrophobicContact CG2-CE 4.2Å; T87-M215 HydrophobicContact CG2-SD 3.68Å; S89-M215 VanDerWaalsContact CB-O 3.32Å; S89-M215 WeakPolarHBondContact CB-O 3.44Å; A107-M215 HydrophobicContact CB-CG 3.81Å; L109-M215 HydrophobicContact CD1-CE 3.98Å; L109-M215 HydrophobicContact CD2-CE 3.25Å; L109-M215 HydrophobicContact CG-CE 3.34Å; Y211-M215 HydrophobicContact CE1-CB 4.2Å; Y211-M215 WeakPolarHBondContact O-CB 3.38Å; Y211-M215 PolarHBondContact O-N 3.15Å; L212-M215 HydrophobicContact CD1-CE 4.03Å; L212-M215 PolarHBondContact O-N 3.49Å; M215-K217 PolarHBondContact O-N 2.93Å; M215-K217 VanDerWaalsContact O-N 3.16Å; M215-G218 PolarHBondContact O-N 3.32Å; M215-Y219 WeakPolarHBondContact CA-O 3.47Å; M215-Y219 PolarHBondContact N-O 2.8Å; M215-C220 HydrophobicContact CG-CB 4.19Å
216	K	89.5	Confident	87.1	Confident	99 Å²	99	36.4 Å²	36.4	43%	0.43	18%	0.176	S	C	.	.	H	α-helix	trans	-59.1	-26.8	175.8	-73.4	173.3	-175.1	168.8	0	113.9	T87 L212 E213 L214 G218	T87-K216 HydrophobicContact CG2-CB 4.47Å; T87-K216 HydrophobicContact CG2-CG 4.12Å; L212-K216 HydrophobicContact CG-CD 4.47Å; L212-K216 WeakPolarHBondContact O-CG 3.37Å; L212-K216 PolarHBondContact O-N 3.29Å; E213-K216 PolarHBondContact O-N 3.05Å; E213-K216 IonicContact OE1-NZ 3.99Å; E213-K216 PolarHBondContact OE1-NZ 3.09Å; L214-K216 PolarHBondContact O-N 3.46Å; K216-G218 VanDerWaalsContact C-N 3.34Å
217	K	89.2	Confident	86.9	Confident	123 Å²	123	34.1 Å²	34.1	54%	0.535	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	1.6	175.1	-73.7	-62.1	-171.1	179.4	0	114	L192 E213 L214 M215 Y219	L192-K217 HydrophobicContact CD1-CB 3.84Å; L192-K217 HydrophobicContact CD1-CG 3.89Å; L192-K217 HydrophobicContact CD2-CG 3.78Å; L192-K217 HydrophobicContact CG-CG 4.21Å; E213-K217 PolarHBondContact O-N 2.8Å; E213-K217 VanDerWaalsContact O-N 3.15Å; L214-K217 CarbonylContact O-C 3.55Å; L214-K217 PolarHBondContact O-N 3.16Å; L214-K217 VanDerWaalsContact O-N 3.08Å; M215-K217 PolarHBondContact O-N 2.93Å; M215-K217 VanDerWaalsContact O-N 3.16Å; K217-Y219 HydrophobicContact CB-CD2 3.91Å; K217-Y219 HydrophobicContact CB-CE2 4.13Å
218	G	89.1	Confident	86.7	Confident	35 Å²	35	34.7 Å²	34.7	36%	0.361	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	15.3	179.5	0	0	0	0	0	114.5	S89 L214 M215 K216	S89-G218 VanDerWaalsContact OG-CA 3.3Å; S89-G218 WeakPolarHBondContact OG-CA 3.36Å; S89-G218 PolarHBondContact OG-O 2.92Å; L214-G218 PolarHBondContact O-N 2.79Å; M215-G218 PolarHBondContact O-N 3.32Å; K216-G218 VanDerWaalsContact C-N 3.34Å
219	Y	88.1	Confident	86.7	Confident	21 Å²	21	33 Å²	33	8%	0.082	16%	0.159	C	C	.	.			trans	-112.3	101.6	174.6	-55.2	-74.8	0	0	0	109.4	S89 P187 F189 L192 L214 M215 K217	S89-Y219 PolarHBondContact OG-N 3.23Å; P187-Y219 PolarHBondContact O-OH 3.25Å; F189-Y219 HydrophobicContact CB-CE2 4.09Å; F189-Y219 HydrophobicContact CD2-CD1 4.27Å; F189-Y219 AromaticContact CD2-CD2 3.82Å; F189-Y219 HydrophobicContact CD2-CD2 3.82Å; F189-Y219 HydrophobicContact CD2-CE1 4.31Å; F189-Y219 AromaticContact CD2-CE2 3.87Å; F189-Y219 HydrophobicContact CD2-CE2 3.87Å; F189-Y219 HydrophobicContact CD2-CG 4.03Å; F189-Y219 HydrophobicContact CE2-CD2 4.49Å; F189-Y219 HydrophobicContact CE2-CG 4.32Å; F189-Y219 HydrophobicContact CG-CE2 4.44Å; L192-Y219 HydrophobicContact CD1-CD2 4.04Å; L192-Y219 HydrophobicContact CD1-CE2 4.39Å; L214-Y219 CarbonylContact C-O 3.49Å; L214-Y219 WeakPolarHBondContact CB-O 3.36Å; L214-Y219 HydrophobicContact CD2-CD2 4.46Å; L214-Y219 PolarHBondContact O-N 2.93Å; L214-Y219 VanDerWaalsContact O-O 3.09Å; M215-Y219 WeakPolarHBondContact CA-O 3.47Å; M215-Y219 PolarHBondContact N-O 2.8Å; K217-Y219 HydrophobicContact CB-CD2 3.91Å; K217-Y219 HydrophobicContact CB-CE2 4.13Å
220	C	85.1	Confident	86.7	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.			trans	-124.9	175.6	178.1	82.5	0	0	0	0	113.1	S89 C90 D91 A107 M215 T222	S89-C220 VanDerWaalsContact OG-CB 3.3Å; S89-C220 WeakPolarHBondContact OG-CB 3.48Å; S89-C220 PolarHBondContact OG-N 3.4Å; C90-C220 VanDerWaalsContact C-SG 3.58Å; D91-C220 WeakPolarHBondContact CB-O 3.38Å; A107-C220 HydrophobicContact CB-CB 3.65Å; M215-C220 HydrophobicContact CG-CB 4.19Å; C220-T222 PolarHBondContact O-N 2.63Å
221	C	80.6	Confident	86.8	Confident	14 Å²	14	32.4 Å²	32.4	10%	0.095	16%	0.155	C	C	.	.	S	Bend	trans	75.4	-73.2	147.3	-46.2	0	0	0	0	115.5	D91 E105 Y211 N223	D91-C221 HydrophobicContact CB-CB 3.93Å; E105-C221 HydrophobicContact CB-CB 3.55Å; E105-C221 HydrophobicContact CG-CB 4.28Å; E105-C221 WeakPolarHBondContact OE2-CB 3.42Å; Y211-C221 VanDerWaalsContact OH-CA 3.29Å; Y211-C221 WeakPolarHBondContact OH-CA 3.4Å; Y211-C221 PolarHBondContact OH-N 2.99Å; C221-N223 PolarHBondContact O-N 3.43Å
222	T	79	Confident	86.9	Confident	17 Å²	17	34.5 Å²	34.5	10%	0.104	16%	0.163	C	C	.	.			trans	-88.6	104.8	-171.8	-59.8	0	0	0	0	110.9	D91 E105 C220 Y224 N225 I226	D91-T222 WeakPolarHBondContact OD2-CB 3.29Å; D91-T222 PolarHBondContact OD2-N 3.27Å; E105-T222 PolarHBondContact OE2-N 2.85Å; E105-T222 PolarHBondContact OE2-OG1 3.22Å; C220-T222 PolarHBondContact O-N 2.63Å; T222-Y224 PolarHBondContact O-N 2.87Å; T222-N225 PolarHBondContact O-N 3.47Å; T222-I226 PolarHBondContact O-N 3.37Å
223	N	81.2	Confident	87.1	Confident	44 Å²	44	33.1 Å²	33.1	24%	0.235	16%	0.156	C	C	.	.	H	α-helix	trans	-49.6	-37	176.6	-65.6	-53	0	0	0	112.9	R156 Y159 C221 N225 I226 Y227	R156-N223 PolarHBondContact NH1-ND2 3.02Å; R156-N223 PolarHBondContact NH1-OD1 2.77Å; R156-N223 PolarHBondContact NH2-ND2 3.04Å; Y159-N223 HydrophobicContact CE2-CB 3.91Å; Y159-N223 WeakPolarHBondContact CE2-OD1 3.32Å; Y159-N223 PolarHBondContact OH-O 3.34Å; Y159-N223 VanDerWaalsContact OH-O 3.14Å; C221-N223 PolarHBondContact O-N 3.43Å; N223-N225 PolarHBondContact O-N 3.03Å; N223-I226 PolarHBondContact O-N 2.81Å; N223-Y227 WeakPolarHBondContact O-CB 3.26Å; N223-Y227 PolarHBondContact O-N 3.07Å
224	Y	82.4	Confident	87.2	Confident	131 Å²	131	29.4 Å²	29.4	51%	0.514	14%	0.138	S	C	.	.	H	α-helix	trans	-63.1	-39.4	179.9	-177.1	-110.7	0	0	0	112.6	T222 Y227 R228	T222-Y224 PolarHBondContact O-N 2.87Å; Y224-Y227 WeakPolarHBondContact O-CB 3.45Å; Y224-Y227 PolarHBondContact O-N 3.49Å; Y224-R228 HydrophobicContact CE1-CG 4.23Å; Y224-R228 HydrophobicContact CE2-CG 4.43Å; Y224-R228 WeakPolarHBondContact O-CG 3.46Å; Y224-R228 PolarHBondContact O-N 3.34Å
225	N	85.6	Confident	87.1	Confident	1 Å²	1	32.2 Å²	32.2	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-71.6	-38	177.1	-68.1	-17.2	0	0	0	110.9	L62 D91 I92 T222 N223 R228 R229	L62-N225 HydrophobicContact CD2-CB 4.17Å; D91-N225 VanDerWaalsContact CG-ND2 3.3Å; D91-N225 PolarHBondContact OD1-ND2 3.44Å; D91-N225 WeakPolarHBondContact OD2-CB 3.45Å; D91-N225 PolarHBondContact OD2-ND2 3.47Å; I92-N225 PolarHBondContact O-ND2 3.36Å; T222-N225 PolarHBondContact O-N 3.47Å; N223-N225 PolarHBondContact O-N 3.03Å; N225-R228 PolarHBondContact O-N 3.1Å; N225-R229 WeakPolarHBondContact O-CG 3.36Å; N225-R229 PolarHBondContact O-N 2.87Å; N225-R229 PolarHBondContact O-NH1 3.01Å
226	I	88.5	Confident	87.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-46.9	171	-58.1	176.1	0	0	0	110.4	Y159 F189 M209 L214 T222 N223 R228 R229 I230	Y159-I226 HydrophobicContact CD1-CG2 3.78Å; Y159-I226 HydrophobicContact CD2-CD1 4.25Å; Y159-I226 HydrophobicContact CD2-CG2 4.26Å; Y159-I226 HydrophobicContact CE1-CB 4.38Å; Y159-I226 HydrophobicContact CE1-CG2 3.59Å; Y159-I226 HydrophobicContact CE2-CB 4.17Å; Y159-I226 HydrophobicContact CE2-CD1 4.47Å; Y159-I226 HydrophobicContact CE2-CG2 4.11Å; Y159-I226 HydrophobicContact CG-CG2 4.1Å; F189-I226 HydrophobicContact CZ-CG2 4.2Å; M209-I226 HydrophobicContact CE-CG2 3.65Å; L214-I226 HydrophobicContact CD1-CD1 4.34Å; T222-I226 PolarHBondContact O-N 3.37Å; N223-I226 PolarHBondContact O-N 2.81Å; I226-R228 PolarHBondContact O-N 2.99Å; I226-R229 PolarHBondContact O-N 2.84Å; I226-I230 HydrophobicContact CG2-CD1 4.16Å; I226-I230 WeakPolarHBondContact O-CG1 3.26Å; I226-I230 PolarHBondContact O-N 3.09Å; I226-I230 VanDerWaalsContact O-N 3.12Å
227	Y	87	Confident	87.2	Confident	30 Å²	30	31.2 Å²	31.2	12%	0.118	15%	0.15	C	C	.	.	H	α-helix	trans	-54.9	-48.9	174.7	174.9	-89.3	0	0	0	111.4	V25 Y159 F161 N223 Y224 R229 I230 H231	V25-Y227 HydrophobicContact CB-CE2 4.49Å; V25-Y227 HydrophobicContact CG1-CD2 3.87Å; V25-Y227 HydrophobicContact CG1-CE2 3.82Å; V25-Y227 HydrophobicContact CG2-CD2 4.49Å; V25-Y227 HydrophobicContact CG2-CE2 3.78Å; Y159-Y227 WeakPolarHBondContact OH-CB 3.41Å; Y159-Y227 PolarHBondContact OH-N 3.1Å; F161-Y227 AromaticContact CD2-CD2 3.5Å; F161-Y227 HydrophobicContact CD2-CD2 3.5Å; F161-Y227 VanDerWaalsContact CD2-CD2 3.5Å; F161-Y227 AromaticContact CD2-CE2 3.87Å; F161-Y227 HydrophobicContact CD2-CE2 3.87Å; F161-Y227 HydrophobicContact CD2-CG 4.38Å; F161-Y227 AromaticContact CE2-CD2 3.18Å; F161-Y227 HydrophobicContact CE2-CD2 3.18Å; F161-Y227 AromaticContact CE2-CE2 3.17Å; F161-Y227 HydrophobicContact CE2-CE2 3.17Å; F161-Y227 HydrophobicContact CE2-CG 4.01Å; F161-Y227 HydrophobicContact CZ-CD2 4.3Å; F161-Y227 AromaticContact CZ-CE2 3.89Å; F161-Y227 HydrophobicContact CZ-CE2 3.89Å; N223-Y227 WeakPolarHBondContact O-CB 3.26Å; N223-Y227 PolarHBondContact O-N 3.07Å; Y224-Y227 WeakPolarHBondContact O-CB 3.45Å; Y224-Y227 PolarHBondContact O-N 3.49Å; Y227-R229 PolarHBondContact O-N 2.88Å; Y227-I230 PolarHBondContact O-N 3.42Å; Y227-H231 HydrophobicContact CD1-CB 4.38Å; Y227-H231 HydrophobicContact CE1-CB 4.05Å; Y227-H231 VanDerWaalsContact O-CB 3.26Å; Y227-H231 WeakPolarHBondContact O-CB 3.44Å; Y227-H231 PolarHBondContact O-N 3.44Å
228	R	86.8	Confident	87.1	Confident	14 Å²	14	27 Å²	27	5%	0.053	13%	0.133	C	C	.	.	H	α-helix	trans	-60.6	-42.4	179	-78.3	177.5	70.3	-158.5	7.7	112	E59 L62 E94 Y224 N225 I226 I230 H231 W232	E59-R228 PolarHBondContact O-NH2 3.45Å; L62-R228 HydrophobicContact CD1-CB 3.91Å; L62-R228 VanDerWaalsContact CD2-NH1 3.28Å; L62-R228 HydrophobicContact CG-CB 4.47Å; E94-R228 VanDerWaalsContact CD-NH1 3.32Å; E94-R228 IonicContact OE1-CZ 2.93Å; E94-R228 IonicContact OE1-NH1 4Å; E94-R228 PolarHBondContact OE1-NH1 3.42Å; E94-R228 IonicContact OE1-NH2 2.85Å; E94-R228 IonicContact OE2-NH1 2.65Å; E94-R228 PolarHBondContact OE2-NH1 3.22Å; Y224-R228 HydrophobicContact CE1-CG 4.23Å; Y224-R228 HydrophobicContact CE2-CG 4.43Å; Y224-R228 WeakPolarHBondContact O-CG 3.46Å; Y224-R228 PolarHBondContact O-N 3.34Å; N225-R228 PolarHBondContact O-N 3.1Å; I226-R228 PolarHBondContact O-N 2.99Å; R228-I230 VanDerWaalsContact C-N 3.34Å; R228-I230 PolarHBondContact O-N 2.94Å; R228-H231 PolarHBondContact O-N 3.3Å; R228-W232 WeakPolarHBondContact O-CB 3.39Å; R228-W232 PolarHBondContact O-N 3.4Å
229	R	90	Very high	87	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.015	13%	0.133	C	C	.	.	H	α-helix	trans	-58.7	-45.9	176	-67.5	-177	-176	89.1	-3.6	111.5	L62 D66 Y186 F189 N225 I226 Y227 S233	L62-R229 HydrophobicContact CD1-CB 4.3Å; L62-R229 HydrophobicContact CD1-CG 3.24Å; D66-R229 IonicContact OD1-CZ 3.42Å; D66-R229 IonicContact OD1-NH2 3.64Å; D66-R229 PolarHBondContact OD1-NH2 2.9Å; D66-R229 IonicContact OD2-NH2 2.65Å; Y186-R229 HydrophobicContact CD1-CG 4.02Å; Y186-R229 HydrophobicContact CD2-CB 3.82Å; Y186-R229 HydrophobicContact CD2-CG 4.06Å; Y186-R229 HydrophobicContact CE1-CG 3.82Å; Y186-R229 HydrophobicContact CE2-CB 3.61Å; Y186-R229 HydrophobicContact CE2-CG 3.85Å; Y186-R229 WeakPolarHBondContact CE2-O 3.37Å; Y186-R229 HydrophobicContact CG-CB 4.35Å; Y186-R229 HydrophobicContact CG-CG 4.14Å; F189-R229 HydrophobicContact CD1-CB 4.13Å; F189-R229 HydrophobicContact CE1-CB 3.4Å; F189-R229 HydrophobicContact CE1-CG 4.5Å; F189-R229 HydrophobicContact CE2-CB 4.45Å; F189-R229 HydrophobicContact CZ-CB 3.61Å; F189-R229 HydrophobicContact CZ-CG 4.48Å; N225-R229 WeakPolarHBondContact O-CG 3.36Å; N225-R229 PolarHBondContact O-N 2.87Å; N225-R229 PolarHBondContact O-NH1 3.01Å; I226-R229 PolarHBondContact O-N 2.84Å; Y227-R229 PolarHBondContact O-N 2.88Å; R229-S233 WeakPolarHBondContact O-CB 3.39Å; R229-S233 PolarHBondContact O-N 3.15Å; R229-S233 PolarHBondContact O-OG 3.12Å
230	I	90.3	Very high	86.1	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.1	-50.4	177.5	-58.5	163.3	0	0	0	110.5	Y159 F161 M182 F189 T207 M209 I226 Y227 R228 W232 S233 I234	Y159-I230 HydrophobicContact CD1-CD1 4.22Å; Y159-I230 HydrophobicContact CE1-CD1 3.66Å; F161-I230 HydrophobicContact CB-CD1 3.7Å; F161-I230 HydrophobicContact CD1-CG2 3.85Å; F161-I230 HydrophobicContact CD2-CB 4.05Å; F161-I230 HydrophobicContact CD2-CD1 3.72Å; F161-I230 HydrophobicContact CD2-CG2 3.9Å; F161-I230 HydrophobicContact CE1-CG2 3.88Å; F161-I230 HydrophobicContact CE2-CB 4.04Å; F161-I230 HydrophobicContact CE2-CG2 3.88Å; F161-I230 HydrophobicContact CG-CB 4.44Å; F161-I230 HydrophobicContact CG-CD1 3.87Å; F161-I230 HydrophobicContact CG-CG2 3.87Å; F161-I230 HydrophobicContact CZ-CB 4.49Å; F161-I230 HydrophobicContact CZ-CG2 3.9Å; M182-I230 HydrophobicContact CE-CG1 4.05Å; F189-I230 HydrophobicContact CE1-CG1 4Å; F189-I230 HydrophobicContact CZ-CG1 4.05Å; T207-I230 HydrophobicContact CG2-CG2 4.39Å; M209-I230 HydrophobicContact CE-CD1 3.46Å; M209-I230 VanDerWaalsContact CE-CD1 3.46Å; M209-I230 HydrophobicContact CE-CG1 3.97Å; I226-I230 HydrophobicContact CG2-CD1 4.16Å; I226-I230 WeakPolarHBondContact O-CG1 3.26Å; I226-I230 PolarHBondContact O-N 3.09Å; I226-I230 VanDerWaalsContact O-N 3.12Å; Y227-I230 PolarHBondContact O-N 3.42Å; R228-I230 VanDerWaalsContact C-N 3.34Å; R228-I230 PolarHBondContact O-N 2.94Å; I230-W232 PolarHBondContact O-N 3.38Å; I230-S233 WeakPolarHBondContact O-CB 3.42Å; I230-S233 PolarHBondContact O-N 3.41Å; I230-S233 VanDerWaalsContact O-N 3.17Å; I230-I234 HydrophobicContact CG2-CD1 3.71Å; I230-I234 HydrophobicContact CG2-CG1 4.32Å; I230-I234 WeakPolarHBondContact O-CG1 3.47Å; I230-I234 PolarHBondContact O-N 2.91Å
231	H	88.4	Confident	84.5	Confident	38 Å²	38	39.9 Å²	39.9	18%	0.176	20%	0.195	C	C	.	.	H	α-helix	trans	-55.9	-51	-177.8	175.9	-92.2	0	0	0	111.6	Y165 Y227 R228 S233 I234 M235	Y165-H231 PolarHBondContact OH-CD2 2.98Å; Y227-H231 HydrophobicContact CD1-CB 4.38Å; Y227-H231 HydrophobicContact CE1-CB 4.05Å; Y227-H231 VanDerWaalsContact O-CB 3.26Å; Y227-H231 WeakPolarHBondContact O-CB 3.44Å; Y227-H231 PolarHBondContact O-N 3.44Å; R228-H231 PolarHBondContact O-N 3.3Å; H231-S233 VanDerWaalsContact C-N 3.3Å; H231-S233 PolarHBondContact O-N 2.82Å; H231-I234 WeakPolarHBondContact O-CB 3.24Å; H231-I234 PolarHBondContact O-N 2.97Å; H231-I234 VanDerWaalsContact O-N 3.12Å; H231-M235 WeakPolarHBondContact O-CG 3.46Å; H231-M235 PolarHBondContact O-N 3.5Å
232	W	88.4	Confident	82.8	Confident	46 Å²	46	47.6 Å²	47.6	17%	0.174	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-31.8	180	-71.3	119.9	0	0	0	113.2	Q60 R228 I230 I234 M235 E236	Q60-W232 HydrophobicContact CB-CD2 3.96Å; Q60-W232 HydrophobicContact CB-CE3 4.18Å; Q60-W232 HydrophobicContact CB-CH2 3.73Å; Q60-W232 HydrophobicContact CB-CZ2 3.47Å; Q60-W232 VanDerWaalsContact CB-CZ2 3.47Å; Q60-W232 HydrophobicContact CB-CZ3 4.07Å; Q60-W232 HydrophobicContact CG-CH2 3.39Å; Q60-W232 HydrophobicContact CG-CZ2 3.49Å; Q60-W232 VanDerWaalsContact CG-CZ2 3.49Å; Q60-W232 HydrophobicContact CG-CZ3 3.97Å; R228-W232 WeakPolarHBondContact O-CB 3.39Å; R228-W232 PolarHBondContact O-N 3.4Å; I230-W232 PolarHBondContact O-N 3.38Å; W232-I234 VanDerWaalsContact C-N 3.35Å; W232-M235 HydrophobicContact CE3-CB 4.21Å; W232-M235 HydrophobicContact CE3-CG 4.36Å; W232-M235 PolarHBondContact O-N 3.17Å; W232-E236 WeakPolarHBondContact O-CB 3.48Å; W232-E236 PolarHBondContact O-N 3.19Å
233	S	91.6	Very high	81	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.2	-38.9	172.1	-55.5	0	0	0	0	111.6	V181 M182 R229 I230 H231 L237	V181-S233 WeakPolarHBondContact CG1-O 3.36Å; M182-S233 VanDerWaalsContact CG-CB 3.45Å; M182-S233 WeakPolarHBondContact CG-OG 3.4Å; R229-S233 WeakPolarHBondContact O-CB 3.39Å; R229-S233 PolarHBondContact O-N 3.15Å; R229-S233 PolarHBondContact O-OG 3.12Å; I230-S233 WeakPolarHBondContact O-CB 3.42Å; I230-S233 PolarHBondContact O-N 3.41Å; I230-S233 VanDerWaalsContact O-N 3.17Å; H231-S233 VanDerWaalsContact C-N 3.3Å; H231-S233 PolarHBondContact O-N 2.82Å; S233-L237 WeakPolarHBondContact O-CB 3.38Å; S233-L237 PolarHBondContact O-N 2.91Å
234	I	90.8	Very high	78.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.5	-45.1	174.5	-68.4	169.6	0	0	0	110.9	F161 Y165 L178 I205 I230 H231 W232 E236 L237 L238	F161-I234 HydrophobicContact CD1-CD1 4.45Å; F161-I234 HydrophobicContact CE1-CD1 3.58Å; F161-I234 HydrophobicContact CZ-CD1 3.95Å; Y165-I234 HydrophobicContact CD2-CG2 4.37Å; Y165-I234 HydrophobicContact CE1-CG2 3.93Å; Y165-I234 HydrophobicContact CE2-CD1 4.04Å; Y165-I234 HydrophobicContact CE2-CG2 3.69Å; Y165-I234 VanDerWaalsContact CZ-CG2 3.43Å; Y165-I234 WeakPolarHBondContact OH-CG2 3.47Å; L178-I234 HydrophobicContact CD1-CB 4.47Å; L178-I234 HydrophobicContact CD1-CG1 3.63Å; L178-I234 HydrophobicContact CD2-CG1 4.11Å; I205-I234 HydrophobicContact CB-CD1 4.3Å; I205-I234 HydrophobicContact CD1-CD1 4.27Å; I205-I234 HydrophobicContact CD1-CG1 4.45Å; I205-I234 HydrophobicContact CD1-CG2 3.63Å; I205-I234 HydrophobicContact CG2-CD1 3.78Å; I205-I234 HydrophobicContact CG2-CG1 4.48Å; I230-I234 HydrophobicContact CG2-CD1 3.71Å; I230-I234 HydrophobicContact CG2-CG1 4.32Å; I230-I234 WeakPolarHBondContact O-CG1 3.47Å; I230-I234 PolarHBondContact O-N 2.91Å; H231-I234 WeakPolarHBondContact O-CB 3.24Å; H231-I234 PolarHBondContact O-N 2.97Å; H231-I234 VanDerWaalsContact O-N 3.12Å; W232-I234 VanDerWaalsContact C-N 3.35Å; I234-E236 VanDerWaalsContact C-N 3.3Å; I234-E236 PolarHBondContact O-N 2.84Å; I234-L237 WeakPolarHBondContact O-CB 3.44Å; I234-L237 PolarHBondContact O-N 3.46Å; I234-L237 VanDerWaalsContact O-N 3.15Å; I234-L238 HydrophobicContact CG2-CD1 3.38Å; I234-L238 HydrophobicContact CG2-CG 4.02Å; I234-L238 WeakPolarHBondContact O-CB 3.4Å; I234-L238 VanDerWaalsContact O-CG 3.28Å; I234-L238 WeakPolarHBondContact O-CG 3.13Å; I234-L238 PolarHBondContact O-N 2.9Å
235	M	88.4	Confident	76	Confident	59 Å²	59	56.1 Å²	56.1	29%	0.291	30%	0.297	S	S	.	.	H	α-helix	trans	-60.5	-41.8	178.3	-68.5	-61.1	-79.3	0	0	111.3	Y165 H231 W232 L238 F239	Y165-M235 HydrophobicContact CE1-SD 4.15Å; H231-M235 WeakPolarHBondContact O-CG 3.46Å; H231-M235 PolarHBondContact O-N 3.5Å; W232-M235 HydrophobicContact CE3-CB 4.21Å; W232-M235 HydrophobicContact CE3-CG 4.36Å; W232-M235 PolarHBondContact O-N 3.17Å; M235-L238 PolarHBondContact O-N 3.41Å; M235-F239 HydrophobicContact CE-CD2 3.87Å; M235-F239 HydrophobicContact CE-CE2 3.97Å; M235-F239 WeakPolarHBondContact O-CA 3.35Å; M235-F239 WeakPolarHBondContact O-CB 3.43Å; M235-F239 PolarHBondContact O-N 3.34Å; M235-F239 HydrophobicContact SD-CD2 3.84Å; M235-F239 HydrophobicContact SD-CE2 3.69Å
236	E	89.2	Confident	73.5	Confident	50 Å²	50	66 Å²	66	23%	0.234	34%	0.34	C	S	.	.	H	α-helix	trans	-64	-42.8	174	-176.4	172.7	167.4	0	0	112	V181 R184 R185 W232 I234 L238 G240	V181-E236 HydrophobicContact CG1-CB 4.05Å; V181-E236 HydrophobicContact CG1-CG 4.06Å; R184-E236 IonicContact CZ-OE1 2.82Å; R184-E236 IonicContact NH1-OE1 3.6Å; R184-E236 PolarHBondContact NH1-OE1 3.31Å; R184-E236 IonicContact NH2-OE1 2.79Å; R184-E236 PolarHBondContact NH2-OE1 3.28Å; R185-E236 IonicContact CZ-OE2 3.07Å; R185-E236 IonicContact NH1-OE2 2.63Å; R185-E236 PolarHBondContact NH1-OE2 2.88Å; W232-E236 WeakPolarHBondContact O-CB 3.48Å; W232-E236 PolarHBondContact O-N 3.19Å; I234-E236 VanDerWaalsContact C-N 3.3Å; I234-E236 PolarHBondContact O-N 2.84Å; E236-L238 VanDerWaalsContact C-N 3.35Å; E236-L238 PolarHBondContact O-N 3.5Å; E236-G240 WeakPolarHBondContact O-CA 3.33Å; E236-G240 PolarHBondContact O-N 3.07Å
237	L	90.8	Very high	70.9	Confident	29 Å²	29	71 Å²	71	15%	0.152	37%	0.37	C	S	.	.	H	α-helix	trans	-63	-39	177.1	178.8	67.7	0	0	0	113.2	K174 E177 L178 V181 F198 S233 I234	K174-L237 HydrophobicContact CB-CD2 3.9Å; K174-L237 HydrophobicContact CD-CD1 4.32Å; K174-L237 HydrophobicContact CD-CD2 4.43Å; K174-L237 HydrophobicContact CD-CG 4.29Å; E177-L237 HydrophobicContact CB-CD1 3.56Å; L178-L237 HydrophobicContact CB-CD2 3.73Å; L178-L237 HydrophobicContact CD1-CD2 4.04Å; L178-L237 HydrophobicContact CG-CD2 4.43Å; V181-L237 HydrophobicContact CG2-CB 4.37Å; V181-L237 HydrophobicContact CG2-CD1 4.15Å; F198-L237 HydrophobicContact CE1-CD2 4.14Å; F198-L237 HydrophobicContact CZ-CD2 3.86Å; S233-L237 WeakPolarHBondContact O-CB 3.38Å; S233-L237 PolarHBondContact O-N 2.91Å; I234-L237 WeakPolarHBondContact O-CB 3.44Å; I234-L237 PolarHBondContact O-N 3.46Å; I234-L237 VanDerWaalsContact O-N 3.15Å
238	L	87.8	Confident	68.4	Low	34 Å²	34	78.4 Å²	78.4	18%	0.178	40%	0.403	C	S	.	.	H	α-helix	trans	-88.6	-33	-173.6	-64.7	175.1	0	0	0	112.9	Y165 V169 I205 I234 M235 E236	Y165-L238 HydrophobicContact CD1-CD1 4.18Å; Y165-L238 HydrophobicContact CG-CD1 4.28Å; V169-L238 HydrophobicContact CG1-CB 4.36Å; V169-L238 HydrophobicContact CG1-CD1 3.64Å; V169-L238 HydrophobicContact CG1-CD2 4.13Å; V169-L238 HydrophobicContact CG1-CG 4.26Å; I205-L238 HydrophobicContact CD1-CD1 4.12Å; I234-L238 HydrophobicContact CG2-CD1 3.38Å; I234-L238 HydrophobicContact CG2-CG 4.02Å; I234-L238 WeakPolarHBondContact O-CB 3.4Å; I234-L238 VanDerWaalsContact O-CG 3.28Å; I234-L238 WeakPolarHBondContact O-CG 3.13Å; I234-L238 PolarHBondContact O-N 2.9Å; M235-L238 PolarHBondContact O-N 3.41Å; E236-L238 VanDerWaalsContact C-N 3.35Å; E236-L238 PolarHBondContact O-N 3.5Å
239	F	86.5	Confident	65.9	Low	83 Å²	83	82.1 Å²	82.1	36%	0.364	43%	0.429	S	S	.	.	H	α-helix	trans	-128.6	-0	-169.9	-52.3	-72.3	0	0	0	114.6	V169 M235 E241 Q242	V169-F239 HydrophobicContact CG1-CZ 3.97Å; M235-F239 HydrophobicContact CE-CD2 3.87Å; M235-F239 HydrophobicContact CE-CE2 3.97Å; M235-F239 WeakPolarHBondContact O-CA 3.35Å; M235-F239 WeakPolarHBondContact O-CB 3.43Å; M235-F239 PolarHBondContact O-N 3.34Å; M235-F239 HydrophobicContact SD-CD2 3.84Å; M235-F239 HydrophobicContact SD-CE2 3.69Å; F239-E241 PolarHBondContact O-N 2.57Å; F239-Q242 PolarHBondContact O-N 3.15Å
240	G	69.1	Low	63	Low	44 Å²	44	87.6 Å²	87.6	45%	0.454	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.2	-169.9	0	0	0	0	0	116.8	E236	E236-G240 WeakPolarHBondContact O-CA 3.33Å; E236-G240 PolarHBondContact O-N 3.07Å
241	E	51.4	Low	59.9	Low	200 Å²	200	91.2 Å²	91.2	94%	0.935	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-13.5	171	-71.8	-174.3	161.2	0	0	113.7	F239	F239-E241 PolarHBondContact O-N 2.57Å
242	Q	45.4	Very low	57.3	Low	175 Å²	175	93.6 Å²	93.6	82%	0.818	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-14.6	-176.3	-64.6	-147.7	-6.7	0	0	115.1	F239	F239-Q242 PolarHBondContact O-N 3.15Å
243	H	40.1	Very low	54.5	Low	163 Å²	163	96 Å²	96	76%	0.755	54%	0.542	S	S	*	.			trans	-105.5	78.5	171.1	-78.5	-80.5	0	0	0	109.8	D245	H243-D245 PolarHBondContact O-N 2.92Å
244	G	28.1	Very low	51.8	Low	81 Å²	81	103.7 Å²	103.7	84%	0.835	58%	0.578	S	S	*	*			trans	-68.2	71.7	172.4	0	0	0	0	0	112
245	D	32.5	Very low	49	Very low	128 Å²	128	109.1 Å²	109.1	68%	0.684	61%	0.613	S	S	*	*			trans	-101.1	115.9	157.1	-155.7	5.9	0	0	0	108.2	H243 T247	H243-D245 PolarHBondContact O-N 2.92Å; D245-T247 PolarHBondContact O-N 3.49Å
246	K	31.4	Very low	46.2	Very low	208 Å²	208	112.2 Å²	112.2	90%	0.904	63%	0.631	S	S	*	*			trans	-76	33.8	-176.7	-76.4	177.5	177.3	169.7	0	112	K248	K246-K248 PolarHBondContact O-N 3.35Å
247	T	33.8	Very low	43.6	Very low	104 Å²	104	119 Å²	119	64%	0.638	66%	0.659	S	S	*	*			trans	-83.9	69.9	172	33.8	0	0	0	0	109.7	D245	D245-T247 PolarHBondContact O-N 3.49Å
248	K	35.3	Very low	40.6	Very low	187 Å²	187	123.2 Å²	123.2	81%	0.813	69%	0.687	S	S	*	*			trans	-55.6	125	159.5	-129.5	-178.6	-173.6	-179.1	0	106.6	K246 S250	K246-K248 PolarHBondContact O-N 3.35Å; K248-S250 PolarHBondContact O-N 3.13Å
249	P	33.8	Very low	38	Very low	91 Å²	91	126.2 Å²	126.2	59%	0.591	71%	0.707	S	S	*	*			trans	-60.5	111.4	177	-17.8	29.4	0	0	0	108.7	G251	P249-G251 PolarHBondContact O-N 3.3Å
250	S	29.2	Very low	35.3	Very low	120 Å²	120	128.8 Å²	128.8	84%	0.839	72%	0.724	S	S	*	*			trans	-68.8	113.4	168.4	51	0	0	0	0	108.3	K248	K248-S250 PolarHBondContact O-N 3.13Å
251	G	26.8	Very low	33.6	Very low	75 Å²	75	133 Å²	133	77%	0.773	73%	0.73	S	S	*	*			trans	95.4	87.1	162.5	0	0	0	0	0	115.7	P249	P249-G251 PolarHBondContact O-N 3.3Å
252	I	33.7	Very low	32.6	Very low	88 Å²	88	132.1 Å²	132.1	45%	0.451	72%	0.723	S	S	.	*			trans	-133.7	117.3	157.4	-56.4	180	0	0	0	108.4	P187	P187-I252 HydrophobicContact CG-CD1 4.16Å; P187-I252 HydrophobicContact CG-CG2 3.45Å; P187-I252 VanDerWaalsContact CG-CG2 3.45Å
253	S	29.3	Very low	32	Very low	96 Å²	96	127.8 Å²	127.8	67%	0.671	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-67.1	121.4	168.7	45.9	0	0	0	0	110.3
254	Q	34.8	Very low	31.5	Very low	163 Å²	163	126.4 Å²	126.4	76%	0.762	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-73.9	144.3	169.6	-71.6	-157.7	-29.5	0	0	110.7
255	P	32.7	Very low	31.8	Very low	113 Å²	113	128.3 Å²	128.3	73%	0.734	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-71.3	146.3	174.8	29.6	-32.6	0	0	0	111.4	K257	P255-K257 PolarHBondContact O-N 3.06Å
256	D	29.2	Very low	31.5	Very low	124 Å²	124	126.1 Å²	126.1	66%	0.663	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-57.3	123.6	-175	-67.4	-40.4	0	0	0	113
257	K	33.4	Very low	31.4	Very low	192 Å²	192	119.6 Å²	119.6	84%	0.835	69%	0.691	S	S	*	*			trans	-118.9	115.1	165.8	-80.9	-176	178	176.6	0	109	P255 T259	P255-K257 PolarHBondContact O-N 3.06Å; K257-T259 PolarHBondContact O-N 2.49Å
258	T	29.3	Very low	31.1	Very low	118 Å²	118	122.2 Å²	122.2	72%	0.724	70%	0.701	S	S	*	*			trans	-70.3	119.5	163.9	36.2	0	0	0	0	108.7
259	T	31.8	Very low	30.9	Very low	97 Å²	97	122.8 Å²	122.8	60%	0.595	70%	0.703	S	S	*	*			trans	-152	119.1	173.5	-37.6	0	0	0	0	110.6	K257 K261	K257-T259 PolarHBondContact O-N 2.49Å; T259-K261 PolarHBondContact O-N 3Å
260	D	30.9	Very low	30.7	Very low	137 Å²	137	125.6 Å²	125.6	73%	0.733	72%	0.719	S	S	*	*			trans	-72.4	114.1	171.5	-68.4	-33.2	0	0	0	109.7
261	K	33.7	Very low	31	Very low	134 Å²	134	127.7 Å²	127.7	58%	0.583	72%	0.715	S	S	*	*			trans	-133.8	122.5	176.3	-142.1	-174.4	-176.4	-156.9	0	111	T259 E263	T259-K261 PolarHBondContact O-N 3Å; K261-E263 IonicContact NZ-OE1 3.74Å; K261-E263 PolarHBondContact NZ-OE1 2.78Å
262	K	29.3	Very low	31.1	Very low	181 Å²	181	129.5 Å²	129.5	79%	0.787	71%	0.714	S	S	*	*			trans	-94.2	108.2	173.7	-159	-179	-174	-174.8	0	107.6
263	E	33.5	Very low	30.9	Very low	84 Å²	84	130.1 Å²	130.1	39%	0.393	73%	0.726	S	S	.	*			trans	-126.9	121.6	-175.4	-135.9	165.6	-141.3	0	0	109.9	K261 L265	K261-E263 IonicContact NZ-OE1 3.74Å; K261-E263 PolarHBondContact NZ-OE1 2.78Å; E263-L265 HydrophobicContact CG-CD1 4.19Å; E263-L265 HydrophobicContact CG-CD2 4.44Å; E263-L265 HydrophobicContact CG-CG 4.07Å
264	N	28.7	Very low	30.8	Very low	134 Å²	134	128.8 Å²	128.8	72%	0.717	73%	0.727	S	S	*	*			trans	-96.2	108.6	168.9	-78.4	-20.4	0	0	0	107
265	L	34.9	Very low	30.6	Very low	121 Å²	121	126 Å²	126	63%	0.634	72%	0.717	S	S	*	*			trans	-122	98.3	178.2	-68.1	173.3	0	0	0	110	E263	E263-L265 HydrophobicContact CG-CD1 4.19Å; E263-L265 HydrophobicContact CG-CD2 4.44Å; E263-L265 HydrophobicContact CG-CG 4.07Å
266	G	25.6	Very low	30.5	Very low	82 Å²	82	126 Å²	126	85%	0.845	72%	0.719	S	S	*	*			trans	-100.3	126.7	162.9	0	0	0	0	0	109.6
267	G	29.1	Very low	30.9	Very low	70 Å²	70	124.6 Å²	124.6	72%	0.722	71%	0.708	S	S	*	*	S	Bend	trans	148.4	130	176.4	0	0	0	0	0	112.8	K269	G267-K269 PolarHBondContact O-N 3.44Å
268	D	27.8	Very low	30.9	Very low	160 Å²	160	118 Å²	118	86%	0.856	69%	0.685	S	S	*	*			trans	-63.9	122.4	-176.5	-70	-36	0	0	0	112.6
269	K	32.4	Very low	31.1	Very low	199 Å²	199	116.7 Å²	116.7	87%	0.865	67%	0.674	S	S	*	*			trans	-138.1	131	168.1	-85	-174.9	178	177.3	0	110.3	G267	G267-K269 PolarHBondContact O-N 3.44Å
270	T	29	Very low	31.4	Very low	150 Å²	150	117.3 Å²	117.3	92%	0.92	67%	0.668	S	S	*	*			trans	-89.8	115	171.9	-17.7	0	0	0	0	108.8
271	E	34.5	Very low	31.5	Very low	163 Å²	163	115 Å²	115	76%	0.762	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-98.5	141.7	175.2	-85.8	-177.8	161.5	0	0	111.3
272	P	30.6	Very low	31.6	Very low	114 Å²	114	110.5 Å²	110.5	74%	0.74	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-75	147	173.5	30	-31.5	0	0	0	112.3
273	S	28.8	Very low	31.8	Very low	101 Å²	101	107.2 Å²	107.2	71%	0.706	63%	0.634	S	S	*	*	S	Bend	trans	-75.1	150.7	-174.1	40.5	0	0	0	0	114.5
274	G	27.3	Very low	31.9	Very low	68 Å²	68	107.2 Å²	107.2	70%	0.701	63%	0.633	S	S	*	*			trans	104.1	73.7	167	0	0	0	0	0	115.3
275	I	31.3	Very low	32.1	Very low	105 Å²	105	107.6 Å²	107.6	54%	0.538	63%	0.628	S	S	.	*			trans	-136.4	118.3	173.1	-53.7	169.3	0	0	0	109.4	Q277	I275-Q277 HydrophobicContact CG2-CG 4.12Å
276	S	30.3	Very low	32	Very low	111 Å²	111	104.2 Å²	104.2	78%	0.776	61%	0.609	S	S	*	*			trans	-78.8	111.9	157.3	42.7	0	0	0	0	108.3
277	Q	36	Very low	32.3	Very low	95 Å²	95	105.2 Å²	105.2	44%	0.444	60%	0.595	S	S	.	*	P	Polyproline II helix	trans	-87	138.6	175.7	-65.2	-122.8	-30.5	0	0	109.7	I275 P301	I275-Q277 HydrophobicContact CG2-CG 4.12Å; Q277-P301 WeakPolarHBondContact O-CG 3.34Å
278	P	33.5	Very low	32.7	Very low	54 Å²	54	104.9 Å²	104.9	35%	0.351	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-69.1	160	167.3	28.3	-30.7	0	0	0	111.3	K280	P278-K280 PolarHBondContact O-N 2.88Å
279	D	34.6	Very low	32.6	Very low	90 Å²	90	100.6 Å²	100.6	48%	0.481	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-59.2	125.9	-177.5	-67.4	-37.7	0	0	0	111.7	P301 D302	D279-P301 WeakPolarHBondContact OD1-CB 3.41Å; D279-P301 VanDerWaalsContact OD1-CG 3.23Å; D279-P301 WeakPolarHBondContact OD1-CG 3.5Å; D279-D302 VanDerWaalsContact OD1-O 3.09Å
280	K	37.3	Very low	32.5	Very low	110 Å²	110	94.3 Å²	94.3	48%	0.478	56%	0.562	S	S	.	*			trans	-117.9	116.9	179.1	-78.8	178.2	-179.8	161.1	0	110	P278	P278-K280 PolarHBondContact O-N 2.88Å
281	T	33.5	Very low	32.6	Very low	90 Å²	90	93.2 Å²	93.2	55%	0.552	55%	0.55	S	S	*	*			trans	-79.1	114.3	156.7	41.1	0	0	0	0	107.9
282	T	36.1	Very low	32.6	Very low	39 Å²	39	92.6 Å²	92.6	24%	0.239	55%	0.545	C	S	.	.			trans	-151.4	120	179.1	-38.9	0	0	0	0	111.7	K284 T305	T282-K284 HydrophobicContact CG2-CG 4Å; T282-K284 PolarHBondContact O-N 3.42Å; T282-T305 VanDerWaalsContact O-CG2 3.22Å; T282-T305 WeakPolarHBondContact O-CG2 3.28Å
283	D	33.7	Very low	32.6	Very low	111 Å²	111	94 Å²	94	59%	0.594	55%	0.551	S	S	*	*			trans	-78.5	98.6	168.3	-73.6	-21.5	0	0	0	109.5
284	K	35.1	Very low	32.8	Very low	84 Å²	84	97 Å²	97	37%	0.365	55%	0.552	S	S	.	*			trans	-110.4	125.3	178.5	-95.1	-172.8	172.5	-163.3	0	112	T282 E286	T282-K284 HydrophobicContact CG2-CG 4Å; T282-K284 PolarHBondContact O-N 3.42Å; K284-E286 IonicContact NZ-OE1 3.86Å
285	K	32.5	Very low	32.9	Very low	142 Å²	142	97.6 Å²	97.6	62%	0.617	54%	0.544	S	S	*	.			trans	-101.9	96.7	165.8	-159.4	177.4	-172.7	178.7	0	108.6
286	E	34.1	Very low	32.9	Very low	51 Å²	51	97 Å²	97	24%	0.238	55%	0.549	C	S	.	.			trans	-107.9	127.8	-176.3	-124.6	165.9	-159.4	0	0	110	K284 L288	K284-E286 IonicContact NZ-OE1 3.86Å; E286-L288 HydrophobicContact CB-CG 4.46Å; E286-L288 HydrophobicContact CG-CD1 4.14Å; E286-L288 HydrophobicContact CG-CD2 4.41Å; E286-L288 HydrophobicContact CG-CG 4.06Å
287	N	31.9	Very low	32.8	Very low	103 Å²	103	94.7 Å²	94.7	55%	0.551	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	106.8	166.1	-81.8	-17	0	0	0	106.5
288	L	35.8	Very low	32.6	Very low	62 Å²	62	94 Å²	94	33%	0.325	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.6	-179.4	-67.1	172.6	0	0	0	109.3	E286 L311	E286-L288 HydrophobicContact CB-CG 4.46Å; E286-L288 HydrophobicContact CG-CD1 4.14Å; E286-L288 HydrophobicContact CG-CD2 4.41Å; E286-L288 HydrophobicContact CG-CG 4.06Å; L288-L311 HydrophobicContact CB-CD2 4.42Å
289	G	27.1	Very low	32.5	Very low	71 Å²	71	96.5 Å²	96.5	73%	0.732	56%	0.559	S	S	*	*			trans	-113.4	134.1	163.3	0	0	0	0	0	109.1
290	G	30.4	Very low	32.6	Very low	66 Å²	66	95.4 Å²	95.4	68%	0.68	55%	0.551	S	S	*	*	S	Bend	trans	134.7	137.3	178.1	0	0	0	0	0	113.2
291	D	30.4	Very low	32.5	Very low	128 Å²	128	92.5 Å²	92.5	68%	0.684	54%	0.544	S	S	*	.			trans	-64	132.2	-177.6	-64.5	-29	0	0	0	111.5
292	K	34.2	Very low	32.6	Very low	150 Å²	150	92.3 Å²	92.3	65%	0.652	54%	0.539	S	S	*	.			trans	-136.2	124	174.6	-74.7	-173.1	179	178.6	0	111.2
293	T	30.2	Very low	32.7	Very low	142 Å²	142	94.1 Å²	94.1	87%	0.871	54%	0.544	S	S	*	.			trans	-91.4	125.3	162.5	26.8	0	0	0	0	109.6
294	K	34.6	Very low	32.9	Very low	164 Å²	164	92.7 Å²	92.7	71%	0.713	54%	0.539	S	S	*	.			trans	-109.5	140.3	178.3	-79.3	-174.1	177.7	-179	0	111.4
295	P	29.4	Very low	33	Very low	82 Å²	82	89.6 Å²	89.6	53%	0.532	53%	0.528	S	S	.	.			trans	-72.4	146.9	170.7	-6.6	22.2	0	0	0	112.1
296	S	31.3	Very low	33.3	Very low	93 Å²	93	87.6 Å²	87.6	65%	0.65	52%	0.524	S	S	*	.	S	Bend	trans	-75.2	149.5	179.5	48.9	0	0	0	0	113.9
297	G	27.8	Very low	33.5	Very low	61 Å²	61	88.5 Å²	88.5	63%	0.629	53%	0.527	S	S	*	.			trans	109.3	61.5	164.9	0	0	0	0	0	116.5
298	I	31.6	Very low	33.7	Very low	81 Å²	81	89.5 Å²	89.5	42%	0.415	53%	0.526	S	S	.	.			trans	-128.8	120.3	176.8	-54.1	174.4	0	0	0	110.1	Q300	I298-Q300 HydrophobicContact CG2-CG 4.16Å
299	S	31.3	Very low	33.8	Very low	107 Å²	107	88.3 Å²	88.3	75%	0.748	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-79.2	118.8	160.9	-44.7	0	0	0	0	108.1
300	Q	36.6	Very low	34.1	Very low	66 Å²	66	89 Å²	89	31%	0.308	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-99.1	138.5	175.5	-61.5	-128.1	-43.5	0	0	109.3	I298 P324	I298-Q300 HydrophobicContact CG2-CG 4.16Å; Q300-P324 WeakPolarHBondContact O-CD 3.45Å; Q300-P324 WeakPolarHBondContact O-CG 3.27Å
301	P	34.6	Very low	34.5	Very low	50 Å²	50	87.5 Å²	87.5	33%	0.325	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-81.5	170.9	167.5	35.1	-33.9	0	0	0	111.9	Q277 D279	Q277-P301 WeakPolarHBondContact O-CG 3.34Å; D279-P301 WeakPolarHBondContact OD1-CB 3.41Å; D279-P301 VanDerWaalsContact OD1-CG 3.23Å; D279-P301 WeakPolarHBondContact OD1-CG 3.5Å
302	D	36.3	Very low	34.5	Very low	85 Å²	85	83.9 Å²	83.9	46%	0.455	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-62.8	132.3	-170.4	-68.7	-38.8	0	0	0	112.8	D279 P324 D325	D279-D302 VanDerWaalsContact OD1-O 3.09Å; D302-P324 WeakPolarHBondContact OD1-CB 3.46Å; D302-P324 WeakPolarHBondContact OD1-CG 3.47Å; D302-D325 PolarHBondContact OD1-N 2.84Å; D302-D325 VanDerWaalsContact OD1-N 3.14Å
303	K	39	Very low	34.4	Very low	77 Å²	77	79.4 Å²	79.4	34%	0.335	47%	0.472	S	S	.	.			trans	-121	117.9	-177	-76.7	178.2	-179.7	166.2	0	111.3
304	T	36.1	Very low	34.5	Very low	81 Å²	81	78.4 Å²	78.4	50%	0.497	46%	0.461	S	S	.	.			trans	-87.2	116.2	155.7	42.9	0	0	0	0	108
305	T	39	Very low	34.6	Very low	20 Å²	20	76 Å²	76	12%	0.123	45%	0.451	C	S	.	.			trans	-151.9	122.6	-179.6	-35.5	0	0	0	0	112.3	T282 K307 T328	T282-T305 VanDerWaalsContact O-CG2 3.22Å; T282-T305 WeakPolarHBondContact O-CG2 3.28Å; T305-K307 HydrophobicContact CG2-CD 4.35Å; T305-K307 HydrophobicContact CG2-CG 3.73Å; T305-K307 PolarHBondContact O-N 3.01Å; T305-T328 WeakPolarHBondContact O-CG2 3.4Å
306	D	36.9	Very low	34.8	Very low	99 Å²	99	78.1 Å²	78.1	53%	0.529	46%	0.462	S	S	.	.			trans	-82.8	103	166.6	-74.7	-13.8	0	0	0	109.2
307	K	39.2	Very low	35	Very low	70 Å²	70	80.2 Å²	80.2	30%	0.304	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.3	-179.9	-80.5	-170.5	172.9	-163.1	0	112.2	T305	T305-K307 HydrophobicContact CG2-CD 4.35Å; T305-K307 HydrophobicContact CG2-CG 3.73Å; T305-K307 PolarHBondContact O-N 3.01Å
308	K	36.3	Very low	35	Very low	124 Å²	124	80.5 Å²	80.5	54%	0.539	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	96.7	163.7	-160.3	176.7	-173.4	179	0	108.6
309	E	37.2	Very low	35	Very low	37 Å²	37	80.7 Å²	80.7	17%	0.173	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128	-175.6	-132	172.3	167.5	0	0	109.7	L311	E309-L311 HydrophobicContact CG-CD1 4.22Å; E309-L311 HydrophobicContact CG-CD2 4.3Å; E309-L311 HydrophobicContact CG-CG 3.99Å
310	N	35	Very low	34.8	Very low	86 Å²	86	78.4 Å²	78.4	46%	0.46	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	104.9	166.1	-81	-18.4	0	0	0	106.7
311	L	37.7	Very low	34.5	Very low	34 Å²	34	78.6 Å²	78.6	18%	0.178	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.3	179.3	-66.5	172.2	0	0	0	109.1	L288 E309 L334	L288-L311 HydrophobicContact CB-CD2 4.42Å; E309-L311 HydrophobicContact CG-CD1 4.22Å; E309-L311 HydrophobicContact CG-CD2 4.3Å; E309-L311 HydrophobicContact CG-CG 3.99Å; L311-L334 HydrophobicContact CB-CD2 4.13Å; L311-L334 HydrophobicContact CD1-CD2 4.44Å
312	G	29.9	Very low	34.4	Very low	53 Å²	53	81.3 Å²	81.3	55%	0.546	48%	0.477	S	S	.	.			trans	-122.4	130.1	164.8	0	0	0	0	0	108.7
313	G	33.1	Very low	34.4	Very low	56 Å²	56	79.5 Å²	79.5	58%	0.577	47%	0.466	S	S	*	.	S	Bend	trans	135.8	144	-180	0	0	0	0	0	112.8
314	D	32.5	Very low	34.2	Very low	121 Å²	121	77.9 Å²	77.9	65%	0.647	46%	0.463	S	S	*	.			trans	-67.7	136.1	-176.7	-63.5	-29.5	0	0	0	111.1
315	K	36.1	Very low	34.2	Very low	114 Å²	114	78 Å²	78	50%	0.496	46%	0.46	S	S	.	.			trans	-129.7	131.5	178.4	-87.7	-177.2	178.8	171.4	0	111.5
316	T	32.5	Very low	34.2	Very low	125 Å²	125	79.6 Å²	79.6	77%	0.767	47%	0.466	S	S	*	.			trans	-110.9	118.2	163.8	3.9	0	0	0	0	108.7
317	E	35.5	Very low	34.2	Very low	137 Å²	137	78.7 Å²	78.7	64%	0.64	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-101.2	138	176.7	-85.6	-176.1	166.8	0	0	111.1	P341	E317-P341 WeakPolarHBondContact O-CG 3.45Å
318	P	29.7	Very low	34.2	Very low	68 Å²	68	76.2 Å²	76.2	44%	0.442	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-81.3	149.4	170.1	25.9	-21.6	0	0	0	112.5
319	S	30.7	Very low	34.3	Very low	85 Å²	85	74.7 Å²	74.7	59%	0.594	45%	0.452	S	S	*	.	S	Bend	trans	-73.7	154	-176.4	43.4	0	0	0	0	114.3
320	G	27.7	Very low	34.5	Very low	58 Å²	58	76.3 Å²	76.3	60%	0.598	46%	0.459	S	S	*	.			trans	104.8	62.2	165.7	0	0	0	0	0	117
321	I	30.7	Very low	34.6	Very low	71 Å²	71	77.5 Å²	77.5	36%	0.364	46%	0.46	S	S	.	.			trans	-129.2	120.8	175.4	-53.8	174.3	0	0	0	110.3	Q323 I344	I321-Q323 HydrophobicContact CG2-CG 4.18Å; I321-I344 WeakPolarHBondContact O-CG2 3.41Å
322	S	31.3	Very low	34.7	Very low	107 Å²	107	77.3 Å²	77.3	75%	0.748	46%	0.458	S	S	*	.			trans	-80.6	121.9	161.4	-54.3	0	0	0	0	108.6
323	Q	36.8	Very low	35	Very low	47 Å²	47	78.7 Å²	78.7	22%	0.22	45%	0.453	C	S	.	.			trans	-105	137.8	178.6	-60.7	-108.1	-59.3	0	0	108.7	I321 P347	I321-Q323 HydrophobicContact CG2-CG 4.18Å; Q323-P347 WeakPolarHBondContact O-CD 3.27Å; Q323-P347 WeakPolarHBondContact O-CG 3.36Å
324	P	34.8	Very low	35.2	Very low	42 Å²	42	77.2 Å²	77.2	27%	0.273	43%	0.432	S	S	.	.			trans	-84.9	175.3	167.1	38.7	-37.2	0	0	0	111.5	Q300 D302	Q300-P324 WeakPolarHBondContact O-CD 3.45Å; Q300-P324 WeakPolarHBondContact O-CG 3.27Å; D302-P324 WeakPolarHBondContact OD1-CB 3.46Å; D302-P324 WeakPolarHBondContact OD1-CG 3.47Å
325	D	36.2	Very low	35.2	Very low	84 Å²	84	73.9 Å²	73.9	45%	0.449	43%	0.426	S	S	.	.			trans	-63.9	139.8	-167.1	-70.8	-40.6	0	0	0	113.4	D302 P347 D348	D302-D325 PolarHBondContact OD1-N 2.84Å; D302-D325 VanDerWaalsContact OD1-N 3.14Å; D325-P347 WeakPolarHBondContact OD1-CB 3.46Å; D325-P347 VanDerWaalsContact OD1-CG 3.23Å; D325-P347 WeakPolarHBondContact OD1-CG 3.17Å; D325-D348 PolarHBondContact OD1-N 2.95Å; D325-D348 VanDerWaalsContact OD1-N 3.07Å
326	K	39.1	Very low	35	Very low	54 Å²	54	70.7 Å²	70.7	24%	0.235	43%	0.425	C	S	.	.			trans	-128.2	120.6	-175	-72	-178.2	176.7	174	0	112.1
327	T	36.5	Very low	35.1	Very low	79 Å²	79	70.1 Å²	70.1	49%	0.485	42%	0.418	S	S	.	.			trans	-92.5	119.1	155.8	38.7	0	0	0	0	108.4	T350	T327-T350 WeakPolarHBondContact CG2-OG1 3.38Å
328	T	39.2	Very low	35.1	Very low	19 Å²	19	67.6 Å²	67.6	12%	0.117	40%	0.404	C	S	.	.			trans	-150.5	124.9	-177.8	-36.9	0	0	0	0	112	T305 K330 T351	T305-T328 WeakPolarHBondContact O-CG2 3.4Å; T328-K330 HydrophobicContact CG2-CD 4.33Å; T328-K330 HydrophobicContact CG2-CG 3.65Å; T328-T351 WeakPolarHBondContact O-CG2 3.46Å
329	D	37.8	Very low	35.3	Very low	92 Å²	92	69.6 Å²	69.6	49%	0.492	42%	0.415	S	S	.	.			trans	-87.4	109.3	165.2	-74.2	-5.7	0	0	0	109
330	K	41.1	Very low	35.5	Very low	70 Å²	70	70 Å²	70	30%	0.304	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.2	-177.7	-78.2	-168.4	173.1	-163	0	112.2	T328 D352 K354	T328-K330 HydrophobicContact CG2-CD 4.33Å; T328-K330 HydrophobicContact CG2-CG 3.65Å; K330-D352 PolarHBondContact N-O 3.08Å; K330-K354 PolarHBondContact O-N 2.95Å
331	K	37.7	Very low	35.6	Very low	112 Å²	112	70.3 Å²	70.3	49%	0.487	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	97.9	164	-159	172.9	-174	174.8	0	108.9
332	E	39.1	Very low	35.5	Very low	30 Å²	30	70.7 Å²	70.7	14%	0.14	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.1	-173.7	-137.6	173	162.5	0	0	109.5	L334 N356	E332-L334 HydrophobicContact CG-CD1 4.26Å; E332-L334 HydrophobicContact CG-CD2 4.25Å; E332-L334 HydrophobicContact CG-CG 3.96Å; E332-L334 WeakPolarHBondContact OE1-CD1 3.34Å; E332-N356 PolarHBondContact O-N 2.88Å
333	N	37.3	Very low	35.3	Very low	81 Å²	81	68 Å²	68	43%	0.433	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	106.1	165.7	-79.1	-23.1	0	0	0	106.7	N356	N333-N356 PolarHBondContact OD1-ND2 3.36Å
334	L	37.6	Very low	35	Very low	26 Å²	26	68.8 Å²	68.8	14%	0.136	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.4	177.7	-64.6	172.3	0	0	0	109.2	L311 E332 L357	L311-L334 HydrophobicContact CB-CD2 4.13Å; L311-L334 HydrophobicContact CD1-CD2 4.44Å; E332-L334 HydrophobicContact CG-CD1 4.26Å; E332-L334 HydrophobicContact CG-CD2 4.25Å; E332-L334 HydrophobicContact CG-CG 3.96Å; E332-L334 WeakPolarHBondContact OE1-CD1 3.34Å; L334-L357 HydrophobicContact CB-CD2 3.9Å; L334-L357 HydrophobicContact CD1-CD2 4.02Å; L334-L357 HydrophobicContact CG-CD2 4.44Å
335	G	31.8	Very low	34.8	Very low	51 Å²	51	72 Å²	72	53%	0.526	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.2	162.4	0	0	0	0	0	108.7
336	G	32.8	Very low	34.8	Very low	47 Å²	47	69.9 Å²	69.9	49%	0.485	41%	0.413	S	S	.	.	S	Bend	trans	136.3	147.9	179.7	0	0	0	0	0	113
337	D	33.6	Very low	34.6	Very low	113 Å²	113	69.2 Å²	69.2	60%	0.604	42%	0.415	S	S	*	.			trans	-71.1	135.9	-177.2	-64.8	-27.2	0	0	0	110.8
338	K	35.6	Very low	34.6	Very low	83 Å²	83	69.5 Å²	69.5	36%	0.361	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.7	-178.8	-97.8	-173.7	176.6	-178.9	0	111.3
339	T	33	Very low	34.6	Very low	110 Å²	110	70.8 Å²	70.8	68%	0.675	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	114.8	167.4	-25.5	0	0	0	0	108.5
340	E	35	Very low	34.5	Very low	94 Å²	94	69.8 Å²	69.8	44%	0.439	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-96	134.3	179.7	-84.4	178.4	170.6	0	0	111.2	K363 P364	E340-K363 VanDerWaalsContact OE2-CE 3.23Å; E340-K363 WeakPolarHBondContact OE2-CE 3.18Å; E340-K363 IonicContact OE2-NZ 3.33Å; E340-K363 PolarHBondContact OE2-NZ 3.25Å; E340-P364 WeakPolarHBondContact O-CD 3.17Å; E340-P364 VanDerWaalsContact O-CG 3.3Å; E340-P364 WeakPolarHBondContact O-CG 3.49Å
341	P	29.9	Very low	34.4	Very low	65 Å²	65	67.3 Å²	67.3	42%	0.422	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-78.7	152	169.2	2.1	13.1	0	0	0	112.8	E317	E317-P341 WeakPolarHBondContact O-CG 3.45Å
342	S	30.2	Very low	34.4	Very low	79 Å²	79	66 Å²	66	55%	0.552	40%	0.404	S	S	*	.	S	Bend	trans	-79.2	151.9	-178.8	44.4	0	0	0	0	114.1
343	G	26.8	Very low	34.5	Very low	50 Å²	50	67.7 Å²	67.7	52%	0.515	41%	0.41	S	S	.	.			trans	102.1	76.7	165.6	0	0	0	0	0	116.4
344	I	29.9	Very low	34.5	Very low	64 Å²	64	68.4 Å²	68.4	33%	0.328	41%	0.41	S	S	.	.			trans	-143	122.6	171.4	-50.9	175.4	0	0	0	110.4	I321 Q346 I367	I321-I344 WeakPolarHBondContact O-CG2 3.41Å; I344-Q346 HydrophobicContact CG2-CG 4.29Å; I344-I367 VanDerWaalsContact O-CG2 3.29Å; I344-I367 WeakPolarHBondContact O-CG2 3.38Å
345	S	30.8	Very low	34.5	Very low	108 Å²	108	68.3 Å²	68.3	76%	0.755	41%	0.409	S	S	*	.			trans	-79.3	125.1	162.5	-51.7	0	0	0	0	108.8
346	Q	36.2	Very low	34.8	Very low	41 Å²	41	69.2 Å²	69.2	19%	0.192	40%	0.401	C	S	.	.			trans	-110.5	140.2	-178.2	-61.2	-99.9	-64	0	0	108.7	I344 P370	I344-Q346 HydrophobicContact CG2-CG 4.29Å; Q346-P370 WeakPolarHBondContact O-CD 3.37Å; Q346-P370 WeakPolarHBondContact O-CG 3.2Å
347	P	34	Very low	35	Very low	40 Å²	40	68 Å²	68	26%	0.26	38%	0.383	S	S	.	.			trans	-87.2	176.6	167.4	40.2	-38	0	0	0	111.2	Q323 D325	Q323-P347 WeakPolarHBondContact O-CD 3.27Å; Q323-P347 WeakPolarHBondContact O-CG 3.36Å; D325-P347 WeakPolarHBondContact OD1-CB 3.46Å; D325-P347 VanDerWaalsContact OD1-CG 3.23Å; D325-P347 WeakPolarHBondContact OD1-CG 3.17Å
348	D	36.6	Very low	34.9	Very low	84 Å²	84	64.8 Å²	64.8	45%	0.449	38%	0.378	S	S	.	.			trans	-64.2	145	-166.5	-71.7	-39.7	0	0	0	113.3	D325 P370 D371	D325-D348 PolarHBondContact OD1-N 2.95Å; D325-D348 VanDerWaalsContact OD1-N 3.07Å; D348-P370 WeakPolarHBondContact OD1-CB 3Å; D348-P370 VanDerWaalsContact OD1-CG 3.27Å; D348-P370 WeakPolarHBondContact OD1-CG 3.21Å; D348-D371 PolarHBondContact OD1-N 2.8Å
349	K	39.4	Very low	34.8	Very low	46 Å²	46	62.7 Å²	62.7	20%	0.2	38%	0.38	C	S	.	.			trans	-133.5	123.4	-174.4	-69.2	-176.7	177.3	179.1	0	112.6
350	T	37.1	Very low	34.8	Very low	72 Å²	72	62.5 Å²	62.5	44%	0.442	37%	0.374	S	S	.	.			trans	-95.9	120.5	157.1	35.3	0	0	0	0	108.5	T327 T373	T327-T350 WeakPolarHBondContact CG2-OG1 3.38Å; T350-T373 WeakPolarHBondContact CG2-OG1 3.43Å
351	T	38.8	Very low	34.8	Very low	17 Å²	17	60.9 Å²	60.9	10%	0.104	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	124.9	-176.8	-36.7	0	0	0	0	111.9	T328 K353 T374	T328-T351 WeakPolarHBondContact O-CG2 3.46Å; T351-K353 HydrophobicContact CG2-CD 4.25Å; T351-K353 HydrophobicContact CG2-CG 3.63Å; T351-T374 WeakPolarHBondContact O-CG2 3.35Å
352	D	37.4	Very low	34.9	Very low	85 Å²	85	62.6 Å²	62.6	46%	0.455	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	110.9	165.3	-72.3	-3.2	0	0	0	108.9	K330	K330-D352 PolarHBondContact N-O 3.08Å
353	K	40.2	Very low	35.2	Very low	65 Å²	65	64.7 Å²	64.7	28%	0.283	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.3	-177	-77.7	-170.3	172	-163.8	0	112.1	T351 D375 K376 K377	T351-K353 HydrophobicContact CG2-CD 4.25Å; T351-K353 HydrophobicContact CG2-CG 3.63Å; K353-D375 PolarHBondContact N-O 3.05Å; K353-K376 HydrophobicContact CB-CG 4.46Å; K353-K377 PolarHBondContact O-N 3.26Å; K353-K377 VanDerWaalsContact O-N 3.14Å
354	K	37.8	Very low	35.2	Very low	96 Å²	96	65.9 Å²	65.9	42%	0.417	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	100.7	162.1	-165	170.3	-177	176.4	0	109.4	K330	K330-K354 PolarHBondContact O-N 2.95Å
355	E	38.4	Very low	35.2	Very low	25 Å²	25	66.5 Å²	66.5	12%	0.117	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.6	-173.8	-139.9	175	159.9	0	0	109.4	L357 K377 E378 N379	E355-L357 HydrophobicContact CG-CD1 4.23Å; E355-L357 HydrophobicContact CG-CD2 4.19Å; E355-L357 HydrophobicContact CG-CG 3.93Å; E355-L357 WeakPolarHBondContact OE1-CD1 3Å; E355-K377 PolarHBondContact N-O 3.47Å; E355-E378 HydrophobicContact CB-CG 4.46Å; E355-N379 PolarHBondContact O-N 3.43Å
356	N	37	Very low	35	Very low	69 Å²	69	63.5 Å²	63.5	37%	0.369	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.6	164.6	-75.4	-30.5	0	0	0	107	E332 N333 N379	E332-N356 PolarHBondContact O-N 2.88Å; N333-N356 PolarHBondContact OD1-ND2 3.36Å; N356-N379 PolarHBondContact OD1-ND2 2.85Å
357	L	37.5	Very low	34.6	Very low	21 Å²	21	64.5 Å²	64.5	11%	0.11	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.2	178.1	-63.9	171.8	0	0	0	109.5	L334 E355 K361 N379 L380	L334-L357 HydrophobicContact CB-CD2 3.9Å; L334-L357 HydrophobicContact CD1-CD2 4.02Å; L334-L357 HydrophobicContact CG-CD2 4.44Å; E355-L357 HydrophobicContact CG-CD1 4.23Å; E355-L357 HydrophobicContact CG-CD2 4.19Å; E355-L357 HydrophobicContact CG-CG 3.93Å; E355-L357 WeakPolarHBondContact OE1-CD1 3Å; L357-K361 VanDerWaalsContact CD1-NZ 3.26Å; L357-N379 PolarHBondContact N-O 2.82Å; L357-L380 HydrophobicContact CB-CD2 3.78Å; L357-L380 HydrophobicContact CD1-CD2 3.75Å; L357-L380 HydrophobicContact CG-CD2 4.21Å
358	G	31.5	Very low	34.4	Very low	47 Å²	47	67.6 Å²	67.6	49%	0.485	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.6	160.7	0	0	0	0	0	108.9
359	G	32.9	Very low	34.4	Very low	39 Å²	39	65.6 Å²	65.6	40%	0.402	39%	0.386	S	S	.	.	S	Bend	trans	132.1	146	178.8	0	0	0	0	0	113.3
360	D	33	Very low	34.1	Very low	106 Å²	106	65.3 Å²	65.3	57%	0.567	39%	0.388	S	S	*	.			trans	-70.7	138.8	-175.9	-67.6	-26.8	0	0	0	111.1
361	K	35.5	Very low	34	Very low	60 Å²	60	65.7 Å²	65.7	26%	0.261	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.5	-179.8	-73.2	-174.8	-178.9	178.8	0	111.4	L357	L357-K361 VanDerWaalsContact CD1-NZ 3.26Å
362	T	32.6	Very low	34	Very low	101 Å²	101	67 Å²	67	62%	0.62	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.4	163.4	39.1	0	0	0	0	109.6
363	K	35	Very low	34	Very low	122 Å²	122	66.4 Å²	66.4	53%	0.53	39%	0.392	S	S	.	.			trans	-122.9	136	-179	-85.9	-167.3	170.1	-155.9	0	112.1	E340 P387	E340-K363 VanDerWaalsContact OE2-CE 3.23Å; E340-K363 WeakPolarHBondContact OE2-CE 3.18Å; E340-K363 IonicContact OE2-NZ 3.33Å; E340-K363 PolarHBondContact OE2-NZ 3.25Å; K363-P387 VanDerWaalsContact O-CG 3.24Å; K363-P387 WeakPolarHBondContact O-CG 3.42Å
364	P	27.9	Very low	33.9	Very low	76 Å²	76	64.2 Å²	64.2	49%	0.494	38%	0.384	S	S	.	.			trans	-81	155.2	168.7	-0.3	17.9	0	0	0	112.7	E340	E340-P364 WeakPolarHBondContact O-CD 3.17Å; E340-P364 VanDerWaalsContact O-CG 3.3Å; E340-P364 WeakPolarHBondContact O-CG 3.49Å
365	S	30.1	Very low	33.8	Very low	76 Å²	76	63.7 Å²	63.7	53%	0.531	39%	0.385	S	S	.	.			trans	-81.7	155.2	-174.8	44.9	0	0	0	0	114.7
366	G	26.1	Very low	33.9	Very low	45 Å²	45	65.1 Å²	65.1	46%	0.464	39%	0.391	S	S	.	.			trans	106.4	81.2	165.3	0	0	0	0	0	116.6
367	I	28.6	Very low	33.9	Very low	63 Å²	63	66.7 Å²	66.7	32%	0.323	40%	0.395	S	S	.	.			trans	-148	122	167.9	-57.2	177.7	0	0	0	110.3	I344 Q369 I390	I344-I367 VanDerWaalsContact O-CG2 3.29Å; I344-I367 WeakPolarHBondContact O-CG2 3.38Å; I367-Q369 HydrophobicContact CG2-CG 4.36Å; I367-I390 WeakPolarHBondContact O-CG2 3.27Å
368	S	29.8	Very low	34	Very low	105 Å²	105	66.5 Å²	66.5	73%	0.734	39%	0.393	S	S	*	.			trans	-75.9	127.3	163.2	-53.6	0	0	0	0	109.4
369	Q	35.3	Very low	34.3	Very low	42 Å²	42	67.4 Å²	67.4	20%	0.196	39%	0.387	C	S	.	.			trans	-110.6	142.8	-178.7	-60	-106.3	-68.7	0	0	109.1	I367 P393	I367-Q369 HydrophobicContact CG2-CG 4.36Å; Q369-P393 WeakPolarHBondContact O-CD 3.29Å; Q369-P393 WeakPolarHBondContact O-CG 3.43Å
370	P	32.8	Very low	34.5	Very low	39 Å²	39	66.6 Å²	66.6	25%	0.253	37%	0.374	S	S	.	.			trans	-88.7	177.9	164.9	40.8	-38	0	0	0	110.9	Q346 D348	Q346-P370 WeakPolarHBondContact O-CD 3.37Å; Q346-P370 WeakPolarHBondContact O-CG 3.2Å; D348-P370 WeakPolarHBondContact OD1-CB 3Å; D348-P370 VanDerWaalsContact OD1-CG 3.27Å; D348-P370 WeakPolarHBondContact OD1-CG 3.21Å
371	D	35.5	Very low	34.4	Very low	80 Å²	80	63.7 Å²	63.7	43%	0.428	37%	0.369	S	S	.	.			trans	-64.5	146.3	-165.6	-71.2	-37	0	0	0	113.4	D348 P393 D394	D348-D371 PolarHBondContact OD1-N 2.8Å; D371-P393 VanDerWaalsContact OD1-C 3.22Å; D371-P393 WeakPolarHBondContact OD1-CB 3.17Å; D371-P393 VanDerWaalsContact OD1-CG 3.25Å; D371-P393 WeakPolarHBondContact OD1-CG 3.37Å; D371-D394 PolarHBondContact OD1-N 3.24Å
372	K	38.8	Very low	34.2	Very low	46 Å²	46	62.8 Å²	62.8	20%	0.2	38%	0.376	C	S	.	.			trans	-135.8	119.9	-174.3	-74.5	-177.9	177	177.1	0	112.6
373	T	37.4	Very low	34.2	Very low	72 Å²	72	63 Å²	63	44%	0.442	37%	0.374	S	S	.	.			trans	-92.5	118.1	157.2	39	0	0	0	0	109.1	T350 T396	T350-T373 WeakPolarHBondContact CG2-OG1 3.43Å; T373-T396 WeakPolarHBondContact CA-O 3.23Å; T373-T396 WeakPolarHBondContact CG2-OG1 3.42Å
374	T	37.7	Very low	34.2	Very low	19 Å²	19	60.5 Å²	60.5	12%	0.117	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	125	-177.1	-39.7	0	0	0	0	111.9	T351 K376 T397	T351-T374 WeakPolarHBondContact O-CG2 3.35Å; T374-K376 HydrophobicContact CG2-CD 4.3Å; T374-K376 HydrophobicContact CG2-CG 3.79Å; T374-T397 WeakPolarHBondContact O-CG2 3.21Å
375	D	36.9	Very low	34.4	Very low	84 Å²	84	61.6 Å²	61.6	45%	0.449	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	112.9	166	-72.7	-2.5	0	0	0	109.1	K353	K353-D375 PolarHBondContact N-O 3.05Å
376	K	40	Very low	34.5	Very low	56 Å²	56	63.2 Å²	63.2	24%	0.243	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.7	-174.5	-93.3	-175.4	164.1	-144.9	0	112.4	K353 T374 E378 D398 K399 K400	K353-K376 HydrophobicContact CB-CG 4.46Å; T374-K376 HydrophobicContact CG2-CD 4.3Å; T374-K376 HydrophobicContact CG2-CG 3.79Å; K376-E378 IonicContact NZ-OE2 2.79Å; K376-E378 PolarHBondContact NZ-OE2 3.47Å; K376-E378 VanDerWaalsContact NZ-OE2 3.12Å; K376-D398 PolarHBondContact N-O 2.85Å; K376-K399 HydrophobicContact CB-CG 4.31Å; K376-K400 PolarHBondContact O-N 3.4Å; K376-K400 VanDerWaalsContact O-N 3.07Å
377	K	38.1	Very low	34.6	Very low	101 Å²	101	64.6 Å²	64.6	44%	0.439	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	99.2	164.3	-159.2	170.2	-174.5	173.1	0	109.5	K353 E355	K353-K377 PolarHBondContact O-N 3.26Å; K353-K377 VanDerWaalsContact O-N 3.14Å; E355-K377 PolarHBondContact N-O 3.47Å
378	E	38.8	Very low	34.7	Very low	18 Å²	18	64.9 Å²	64.9	8%	0.084	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.8	-173.8	-133.6	168.5	147.2	0	0	109.5	E355 K376 L380 K400 E401 N402	E355-E378 HydrophobicContact CB-CG 4.46Å; K376-E378 IonicContact NZ-OE2 2.79Å; K376-E378 PolarHBondContact NZ-OE2 3.47Å; K376-E378 VanDerWaalsContact NZ-OE2 3.12Å; E378-L380 HydrophobicContact CG-CD1 4.33Å; E378-L380 HydrophobicContact CG-CD2 4.09Å; E378-L380 HydrophobicContact CG-CG 3.99Å; E378-L380 WeakPolarHBondContact OE1-CD1 3.48Å; E378-K400 PolarHBondContact N-O 3.05Å; E378-E401 HydrophobicContact CB-CG 4.33Å; E378-N402 PolarHBondContact O-N 3.48Å
379	N	37.1	Very low	34.5	Very low	66 Å²	66	61.8 Å²	61.8	35%	0.353	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	109.3	163.9	-74.7	-31.9	0	0	0	107	E355 N356 L357 N402	E355-N379 PolarHBondContact O-N 3.43Å; N356-N379 PolarHBondContact OD1-ND2 2.85Å; L357-N379 PolarHBondContact N-O 2.82Å; N379-N402 PolarHBondContact OD1-ND2 3.34Å
380	L	37	Very low	34.1	Very low	22 Å²	22	62.5 Å²	62.5	12%	0.115	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.9	178.5	-61.1	176.4	0	0	0	109.7	L357 E378 N402 L403	L357-L380 HydrophobicContact CB-CD2 3.78Å; L357-L380 HydrophobicContact CD1-CD2 3.75Å; L357-L380 HydrophobicContact CG-CD2 4.21Å; E378-L380 HydrophobicContact CG-CD1 4.33Å; E378-L380 HydrophobicContact CG-CD2 4.09Å; E378-L380 HydrophobicContact CG-CG 3.99Å; E378-L380 WeakPolarHBondContact OE1-CD1 3.48Å; L380-N402 PolarHBondContact N-O 2.84Å; L380-L403 HydrophobicContact CB-CD2 3.88Å; L380-L403 HydrophobicContact CD1-CD2 3.82Å; L380-L403 HydrophobicContact CG-CD2 4.24Å
381	G	31.2	Very low	34	Very low	45 Å²	45	65.5 Å²	65.5	46%	0.464	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.7	160.4	0	0	0	0	0	109
382	G	32.1	Very low	33.9	Very low	41 Å²	41	63.6 Å²	63.6	42%	0.423	38%	0.375	S	S	.	.	S	Bend	trans	135.5	148.9	178.6	0	0	0	0	0	113.4
383	D	32	Very low	33.6	Very low	106 Å²	106	63.2 Å²	63.2	57%	0.567	38%	0.378	S	S	*	.			trans	-74.5	140.8	-174.5	-66.5	-27.5	0	0	0	111.3
384	K	34.2	Very low	33.5	Very low	69 Å²	69	63.4 Å²	63.4	30%	0.3	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.1	-179.1	-91.3	-176.2	178.9	173	0	112.1
385	T	32.4	Very low	33.5	Very low	99 Å²	99	64.6 Å²	64.6	61%	0.607	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119	122.4	166.7	-9.2	0	0	0	0	109.5
386	E	33.9	Very low	33.4	Very low	109 Å²	109	64 Å²	64	51%	0.509	38%	0.379	S	S	.	.			trans	-109.4	134.1	179.7	-92.8	-179.8	166.9	0	0	111.4	P410	E386-P410 WeakPolarHBondContact O-CD 3.38Å; E386-P410 VanDerWaalsContact O-CG 3.28Å; E386-P410 WeakPolarHBondContact O-CG 3.46Å
387	P	27.9	Very low	33.2	Very low	75 Å²	75	62.2 Å²	62.2	49%	0.487	37%	0.373	S	S	.	.			trans	-87.7	153.9	167.4	16.5	-2.7	0	0	0	113.3	K363	K363-P387 VanDerWaalsContact O-CG 3.24Å; K363-P387 WeakPolarHBondContact O-CG 3.42Å
388	S	29	Very low	33.1	Very low	68 Å²	68	61.4 Å²	61.4	48%	0.476	37%	0.373	S	S	.	.			trans	-78.5	154.6	-171.7	44	0	0	0	0	115.4
389	G	26	Very low	33.1	Very low	41 Å²	41	63.5 Å²	63.5	42%	0.423	38%	0.382	S	S	.	.			trans	106.6	81.7	163.5	0	0	0	0	0	117.1
390	I	28.2	Very low	33.1	Very low	57 Å²	57	64.7 Å²	64.7	29%	0.292	38%	0.384	S	S	.	.			trans	-152.1	113.3	167.6	-58.4	179.9	0	0	0	111.3	I367 Q392 I413	I367-I390 WeakPolarHBondContact O-CG2 3.27Å; I390-Q392 PolarHBondContact O-N 3.04Å; I390-I413 HydrophobicContact CB-CD1 4.29Å; I390-I413 WeakPolarHBondContact O-CD1 3.29Å; I390-I413 WeakPolarHBondContact O-CG2 3.44Å
391	S	29.1	Very low	33.1	Very low	101 Å²	101	64.8 Å²	64.8	71%	0.706	38%	0.384	S	S	*	.			trans	-62.8	127.4	165.5	-41.9	0	0	0	0	110.3
392	Q	34.9	Very low	33.3	Very low	40 Å²	40	66 Å²	66	19%	0.187	38%	0.38	C	S	.	.			trans	-112.7	140.9	-178	-62.8	-101.6	-66.1	0	0	109.3	I390 P416	I390-Q392 PolarHBondContact O-N 3.04Å; Q392-P416 WeakPolarHBondContact O-CD 3.12Å; Q392-P416 WeakPolarHBondContact O-CG 3.47Å
393	P	31.8	Very low	33.5	Very low	39 Å²	39	65 Å²	65	25%	0.253	37%	0.365	S	S	.	.			trans	-90.1	176.6	165.6	41.1	-37.3	0	0	0	110.7	Q369 D371	Q369-P393 WeakPolarHBondContact O-CD 3.29Å; Q369-P393 WeakPolarHBondContact O-CG 3.43Å; D371-P393 VanDerWaalsContact OD1-C 3.22Å; D371-P393 WeakPolarHBondContact OD1-CB 3.17Å; D371-P393 VanDerWaalsContact OD1-CG 3.25Å; D371-P393 WeakPolarHBondContact OD1-CG 3.37Å
394	D	34.8	Very low	33.3	Very low	76 Å²	76	61.8 Å²	61.8	41%	0.406	36%	0.357	S	S	.	.			trans	-64.7	144.2	-163.9	-67.7	-29.3	0	0	0	113.4	D371 P416 D417	D371-D394 PolarHBondContact OD1-N 3.24Å; D394-P416 WeakPolarHBondContact OD1-CB 3.43Å; D394-P416 WeakPolarHBondContact OD1-CG 3.17Å; D394-D417 PolarHBondContact OD1-N 2.77Å
395	K	38	Very low	33.2	Very low	44 Å²	44	60.4 Å²	60.4	19%	0.191	36%	0.362	C	S	.	.			trans	-133.9	122.3	-174.2	-74.3	-177.6	176.8	175.3	0	112.1	T419	K395-T419 VanDerWaalsContact O-O 3.13Å
396	T	35.9	Very low	33.1	Very low	72 Å²	72	60.7 Å²	60.7	44%	0.442	36%	0.36	S	S	.	.			trans	-93.4	120.7	157.7	34.4	0	0	0	0	108.5	T373 T419	T373-T396 WeakPolarHBondContact CA-O 3.23Å; T373-T396 WeakPolarHBondContact CG2-OG1 3.42Å; T396-T419 WeakPolarHBondContact CG2-OG1 3.49Å
397	T	35.7	Very low	33.1	Very low	18 Å²	18	58.4 Å²	58.4	11%	0.11	35%	0.348	C	S	.	.			trans	-148.3	120.2	-175.8	-42.9	0	0	0	0	111.4	T374 K399 T420	T374-T397 WeakPolarHBondContact O-CG2 3.21Å; T397-K399 HydrophobicContact CG2-CD 4.31Å; T397-K399 HydrophobicContact CG2-CG 3.76Å; T397-T420 WeakPolarHBondContact O-CG2 2.97Å
398	D	36	Very low	33.3	Very low	83 Å²	83	59.5 Å²	59.5	44%	0.444	35%	0.353	S	S	.	.			trans	-90.6	111.5	167.3	-72.1	-1.3	0	0	0	109.1	K376	K376-D398 PolarHBondContact N-O 2.85Å
399	K	38.9	Very low	33.5	Very low	62 Å²	62	62.3 Å²	62.3	27%	0.27	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.5	-177	-87.9	-173.8	170.3	-157.7	0	112.4	K376 T397 E401 D421 K422 K423	K376-K399 HydrophobicContact CB-CG 4.31Å; T397-K399 HydrophobicContact CG2-CD 4.31Å; T397-K399 HydrophobicContact CG2-CG 3.76Å; K399-E401 IonicContact NZ-OE2 3.69Å; K399-D421 PolarHBondContact N-O 3.03Å; K399-K422 HydrophobicContact CB-CG 4.38Å; K399-K423 PolarHBondContact O-N 3.21Å; K399-K423 VanDerWaalsContact O-N 3.12Å
400	K	36.6	Very low	33.6	Very low	92 Å²	92	64 Å²	64	40%	0.4	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	98.4	163	-158.6	172.3	-174	176	0	109.5	K376 E378	K376-K400 PolarHBondContact O-N 3.4Å; K376-K400 VanDerWaalsContact O-N 3.07Å; E378-K400 PolarHBondContact N-O 3.05Å
401	E	36.8	Very low	33.7	Very low	24 Å²	24	64.9 Å²	64.9	11%	0.112	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.4	-174.8	-137	170.6	151.3	0	0	109.5	E378 K399 L403 N425	E378-E401 HydrophobicContact CB-CG 4.33Å; K399-E401 IonicContact NZ-OE2 3.69Å; E401-L403 HydrophobicContact CG-CD1 4.27Å; E401-L403 HydrophobicContact CG-CD2 4.07Å; E401-L403 HydrophobicContact CG-CG 3.91Å; E401-L403 WeakPolarHBondContact OE1-CD1 3.4Å; E401-L403 WeakPolarHBondContact OE1-CD2 3.47Å; E401-N425 PolarHBondContact O-N 2.79Å
402	N	35.5	Very low	33.5	Very low	70 Å²	70	62.2 Å²	62.2	37%	0.374	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	110	163.6	-74	-28	0	0	0	107	E378 N379 L380 N425	E378-N402 PolarHBondContact O-N 3.48Å; N379-N402 PolarHBondContact OD1-ND2 3.34Å; L380-N402 PolarHBondContact N-O 2.84Å; N402-N425 WeakPolarHBondContact OD1-CB 3.48Å
403	L	35.2	Very low	33.1	Very low	20 Å²	20	62.7 Å²	62.7	11%	0.105	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128	-179.4	-66.1	174.3	0	0	0	109.8	L380 E401 L426	L380-L403 HydrophobicContact CB-CD2 3.88Å; L380-L403 HydrophobicContact CD1-CD2 3.82Å; L380-L403 HydrophobicContact CG-CD2 4.24Å; E401-L403 HydrophobicContact CG-CD1 4.27Å; E401-L403 HydrophobicContact CG-CD2 4.07Å; E401-L403 HydrophobicContact CG-CG 3.91Å; E401-L403 WeakPolarHBondContact OE1-CD1 3.4Å; E401-L403 WeakPolarHBondContact OE1-CD2 3.47Å; L403-L426 HydrophobicContact CB-CD2 4.08Å
404	G	29	Very low	33	Very low	39 Å²	39	65.3 Å²	65.3	40%	0.402	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129.2	159.2	0	0	0	0	0	108.9
405	G	30.8	Very low	33	Very low	39 Å²	39	64.4 Å²	64.4	40%	0.402	38%	0.376	S	S	.	.	S	Bend	trans	131.3	144.6	179.3	0	0	0	0	0	113.9
406	D	30.9	Very low	32.6	Very low	105 Å²	105	64.5 Å²	64.5	56%	0.561	38%	0.381	S	S	*	.			trans	-74.3	143.7	-172.8	-69.3	-30.1	0	0	0	112.1
407	K	34.2	Very low	32.5	Very low	62 Å²	62	64.8 Å²	64.8	27%	0.27	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	130.5	-178.7	-77.1	-178.9	-179.7	170.6	0	112.3
408	T	31.5	Very low	32.5	Very low	97 Å²	97	66.3 Å²	66.3	60%	0.595	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.3	164.5	39.5	0	0	0	0	110.3
409	K	34.1	Very low	32.4	Very low	128 Å²	128	65.7 Å²	65.7	56%	0.557	39%	0.385	S	S	*	.			trans	-126.5	135.3	-177.9	-94.5	-171	172.9	-171.5	0	112.2
410	P	27.3	Very low	32.2	Very low	77 Å²	77	63.7 Å²	63.7	50%	0.5	38%	0.378	S	S	.	.			trans	-90	155	166.9	12.6	4.1	0	0	0	113.3	E386	E386-P410 WeakPolarHBondContact O-CD 3.38Å; E386-P410 VanDerWaalsContact O-CG 3.28Å; E386-P410 WeakPolarHBondContact O-CG 3.46Å
411	S	29.5	Very low	32.1	Very low	74 Å²	74	63.2 Å²	63.2	52%	0.517	38%	0.38	S	S	.	.			trans	-82.2	155.9	-168.5	45.1	0	0	0	0	115.7
412	G	25.8	Very low	32.1	Very low	46 Å²	46	65.4 Å²	65.4	47%	0.474	39%	0.389	S	S	.	.			trans	112.3	80.1	158.2	0	0	0	0	0	117.6
413	I	27.6	Very low	32	Very low	50 Å²	50	66.6 Å²	66.6	26%	0.256	39%	0.391	S	S	.	.			trans	-154.9	123.9	164.2	-59.8	176.3	0	0	0	110.4	I390 I437	I390-I413 HydrophobicContact CB-CD1 4.29Å; I390-I413 WeakPolarHBondContact O-CD1 3.29Å; I390-I413 WeakPolarHBondContact O-CG2 3.44Å; I413-I437 WeakPolarHBondContact O-CD1 3.22Å; I413-I437 WeakPolarHBondContact O-CG2 3.4Å
414	S	28.3	Very low	32	Very low	94 Å²	94	66.8 Å²	66.8	66%	0.657	39%	0.391	S	S	*	.			trans	-68.7	133.7	169.3	-40.8	0	0	0	0	111.8
415	Q	34.8	Very low	32.1	Very low	56 Å²	56	68 Å²	68	26%	0.262	39%	0.388	S	S	.	.			trans	-117.2	135.9	-176.3	-60	-111.3	-63.4	0	0	110.9	P440	Q415-P440 WeakPolarHBondContact O-CD 3.37Å; Q415-P440 WeakPolarHBondContact O-CG 3.43Å
416	P	30.8	Very low	32.2	Very low	46 Å²	46	68.8 Å²	68.8	30%	0.299	38%	0.383	S	S	.	.			trans	-84.6	172.8	164.6	37.1	-32.1	0	0	0	111.1	Q392 D394	Q392-P416 WeakPolarHBondContact O-CD 3.12Å; Q392-P416 WeakPolarHBondContact O-CG 3.47Å; D394-P416 WeakPolarHBondContact OD1-CB 3.43Å; D394-P416 WeakPolarHBondContact OD1-CG 3.17Å
417	D	33.4	Very low	32.1	Very low	79 Å²	79	71.5 Å²	71.5	42%	0.422	40%	0.397	S	S	.	.			trans	-63.2	141.1	-161.4	-70.3	-40.8	0	0	0	114.6	D394 P440 D441	D394-D417 PolarHBondContact OD1-N 2.77Å; D417-P440 WeakPolarHBondContact OD1-CB 3.2Å; D417-P440 WeakPolarHBondContact OD1-CG 2.93Å; D417-D441 PolarHBondContact OD1-N 3.15Å
418	K	35.2	Very low	31.8	Very low	49 Å²	49	71.3 Å²	71.3	21%	0.213	41%	0.412	C	S	.	.			trans	-129.2	123.3	-174.8	-77	-179.4	175.8	175.2	0	112.5
419	T	34.3	Very low	31.6	Very low	70 Å²	70	69.3 Å²	69.3	43%	0.429	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-94.3	120.5	158.1	34	0	0	0	0	108.5	K395 T396 T443	K395-T419 VanDerWaalsContact O-O 3.13Å; T396-T419 WeakPolarHBondContact CG2-OG1 3.49Å; T419-T443 VanDerWaalsContact CG2-OG1 3.24Å; T419-T443 WeakPolarHBondContact CG2-OG1 3.38Å
420	T	34.9	Very low	31.3	Very low	20 Å²	20	69.1 Å²	69.1	12%	0.123	42%	0.416	C	S	.	.			trans	-146.3	121.6	-177	-48.3	0	0	0	0	111.2	T397 K422 T444	T397-T420 WeakPolarHBondContact O-CG2 2.97Å; T420-K422 HydrophobicContact CG2-CD 4.35Å; T420-K422 HydrophobicContact CG2-CG 3.87Å; T420-T444 VanDerWaalsContact O-CG2 3.29Å; T420-T444 WeakPolarHBondContact O-CG2 3.2Å
421	D	35.2	Very low	31.5	Very low	83 Å²	83	69.9 Å²	69.9	44%	0.444	41%	0.411	S	S	.	.			trans	-94.4	115.7	168.4	-69.8	-6.7	0	0	0	109.3	K399 D445	K399-D421 PolarHBondContact N-O 3.03Å; D421-D445 WeakPolarHBondContact OD1-CB 3.4Å
422	K	35.8	Very low	31.4	Very low	69 Å²	69	72.1 Å²	72.1	30%	0.3	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.4	-174.8	-94.4	-177	176.3	-166.1	0	111.8	K399 T420 D445 K446 K447	K399-K422 HydrophobicContact CB-CG 4.38Å; T420-K422 HydrophobicContact CG2-CD 4.35Å; T420-K422 HydrophobicContact CG2-CG 3.87Å; K422-D445 PolarHBondContact N-O 3.2Å; K422-K446 HydrophobicContact CB-CG 4.39Å; K422-K447 PolarHBondContact O-N 3.19Å
423	K	33.4	Very low	31.7	Very low	95 Å²	95	76 Å²	76	41%	0.413	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	97.7	166.8	-162.7	169	-175.2	174.7	0	110	K399 K447	K399-K423 PolarHBondContact O-N 3.21Å; K399-K423 VanDerWaalsContact O-N 3.12Å; K423-K447 HydrophobicContact CG-CB 4.4Å
424	E	34.7	Very low	31.7	Very low	24 Å²	24	78 Å²	78	11%	0.112	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125.4	-174.7	-136.8	166.6	172.5	0	0	109.6	L426 K447 E448 N449	E424-L426 HydrophobicContact CG-CD1 4.15Å; E424-L426 HydrophobicContact CG-CG 4.34Å; E424-K447 PolarHBondContact N-O 2.81Å; E424-E448 HydrophobicContact CB-CG 4.45Å; E424-N449 PolarHBondContact O-N 2.77Å
425	N	32.6	Very low	31.7	Very low	65 Å²	65	77.7 Å²	77.7	35%	0.348	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	100	169.8	-92.3	-0.5	0	0	0	107.1	E401 N402 N449	E401-N425 PolarHBondContact O-N 2.79Å; N402-N425 WeakPolarHBondContact OD1-CB 3.48Å; N425-N449 PolarHBondContact OD1-ND2 2.84Å
426	L	32.8	Very low	31.3	Very low	55 Å²	55	77.3 Å²	77.3	29%	0.288	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.5	178.6	-79.2	153.1	0	0	0	109.5	L403 E424 L450	L403-L426 HydrophobicContact CB-CD2 4.08Å; E424-L426 HydrophobicContact CG-CD1 4.15Å; E424-L426 HydrophobicContact CG-CG 4.34Å; L426-L450 HydrophobicContact CB-CD2 4.31Å; L426-L450 HydrophobicContact CD1-CD2 3.5Å
427	L	28.1	Very low	31.1	Very low	163 Å²	163	78.1 Å²	78.1	85%	0.853	45%	0.454	S	S	*	.			trans	-114.5	91.8	169.2	-75.2	169.6	0	0	0	108.1
428	G	27.6	Very low	30.9	Very low	58 Å²	58	78.5 Å²	78.5	60%	0.598	46%	0.463	S	S	*	.	S	Bend	trans	79.8	125.2	163.8	0	0	0	0	0	117.6
429	G	27.4	Very low	30.9	Very low	54 Å²	54	79.6 Å²	79.6	56%	0.557	47%	0.469	S	S	*	.			trans	140.9	124.1	165.4	0	0	0	0	0	114
430	D	27.9	Very low	30.6	Very low	125 Å²	125	78.8 Å²	78.8	67%	0.668	47%	0.465	S	S	*	.			trans	-76.1	150	-172.1	-69.2	-33.9	0	0	0	113.3
431	K	31.4	Very low	30.5	Very low	92 Å²	92	81.6 Å²	81.6	40%	0.4	48%	0.479	S	S	.	.			trans	-130.7	138	178.5	-97.6	-176.5	-178.3	170.3	0	113.3
432	T	28.6	Very low	30.4	Very low	121 Å²	121	80.1 Å²	80.1	74%	0.742	47%	0.469	S	S	*	.			trans	-123.5	128.1	167.6	-8.1	0	0	0	0	109.6
433	E	31.5	Very low	30.2	Very low	129 Å²	129	80 Å²	80	60%	0.603	47%	0.474	S	S	*	.			trans	-118.3	136.6	179	-90.7	-176.8	173.5	0	0	111.2
434	P	27	Very low	30.2	Very low	92 Å²	92	77 Å²	77	60%	0.597	46%	0.463	S	S	*	.			trans	-100.6	153.2	166.1	9.1	10.9	0	0	0	113.7
435	S	28.3	Very low	30	Very low	86 Å²	86	79.3 Å²	79.3	60%	0.601	48%	0.476	S	S	*	.			trans	-71.9	151.4	-165.3	45.4	0	0	0	0	117
436	G	26	Very low	30	Very low	48 Å²	48	79.9 Å²	79.9	50%	0.495	48%	0.476	S	S	.	.			trans	128.5	66.9	159.2	0	0	0	0	0	118
437	I	28	Very low	30	Very low	63 Å²	63	80.6 Å²	80.6	32%	0.323	48%	0.477	S	S	.	.			trans	-148.3	119.6	158.3	-50	166.5	0	0	0	111.9	I413 I460	I413-I437 WeakPolarHBondContact O-CD1 3.22Å; I413-I437 WeakPolarHBondContact O-CG2 3.4Å; I437-I460 VanDerWaalsContact O-CD1 3.3Å; I437-I460 WeakPolarHBondContact O-CD1 2.88Å
438	S	28.3	Very low	30.2	Very low	87 Å²	87	76.4 Å²	76.4	61%	0.608	45%	0.452	S	S	*	.			trans	-64.3	127.8	166.9	37.7	0	0	0	0	111.9
439	Q	34.3	Very low	30.4	Very low	72 Å²	72	78.9 Å²	78.9	34%	0.336	45%	0.452	S	S	.	.			trans	-111.2	136.4	-176.3	-65.7	-164.1	-10	0	0	112	K442	Q439-K442 VanDerWaalsContact NE2-NZ 3.11Å
440	P	29.2	Very low	30.6	Very low	53 Å²	53	81.2 Å²	81.2	34%	0.344	45%	0.451	S	S	.	.			trans	-86.1	170	159	33.2	-23.2	0	0	0	111.2	Q415 D417	Q415-P440 WeakPolarHBondContact O-CD 3.37Å; Q415-P440 WeakPolarHBondContact O-CG 3.43Å; D417-P440 WeakPolarHBondContact OD1-CB 3.2Å; D417-P440 WeakPolarHBondContact OD1-CG 2.93Å
441	D	31.7	Very low	30.5	Very low	79 Å²	79	78.4 Å²	78.4	42%	0.422	45%	0.452	S	S	.	.			trans	-64.7	137.7	-156.2	-65.5	-36.8	0	0	0	115	D417 P463 D464	D417-D441 PolarHBondContact OD1-N 3.15Å; D441-P463 WeakPolarHBondContact OD1-CB 3.21Å; D441-D464 PolarHBondContact OD1-N 2.86Å
442	K	34.5	Very low	30.3	Very low	53 Å²	53	77.1 Å²	77.1	23%	0.23	47%	0.465	C	S	.	.			trans	-119.1	126.9	-176.2	-75.4	177.3	177.7	167.2	0	112.2	Q439	Q439-K442 VanDerWaalsContact NE2-NZ 3.11Å
443	T	31.7	Very low	30.3	Very low	66 Å²	66	78.9 Å²	78.9	41%	0.405	47%	0.47	S	S	.	.	B	Isolated β-bridge	trans	-100.2	124	158.6	39.5	0	0	0	0	108.6	T419	T419-T443 VanDerWaalsContact CG2-OG1 3.24Å; T419-T443 WeakPolarHBondContact CG2-OG1 3.38Å
444	T	31.7	Very low	30.2	Very low	32 Å²	32	79.4 Å²	79.4	20%	0.196	47%	0.47	C	S	.	.			trans	-146.8	114.1	-173.6	-52.6	0	0	0	0	110.5	T420 K446	T420-T444 VanDerWaalsContact O-CG2 3.29Å; T420-T444 WeakPolarHBondContact O-CG2 3.2Å; T444-K446 HydrophobicContact CG2-CB 4.36Å; T444-K446 PolarHBondContact O-N 2.8Å
445	D	31.3	Very low	30.2	Very low	72 Å²	72	81.4 Å²	81.4	39%	0.385	48%	0.481	S	S	.	.			trans	-88.7	103.8	168.1	-74	-0.5	0	0	0	109.1	D421 K422	D421-D445 WeakPolarHBondContact OD1-CB 3.4Å; K422-D445 PolarHBondContact N-O 3.2Å
446	K	33.1	Very low	30.3	Very low	77 Å²	77	84.2 Å²	84.2	34%	0.335	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.9	-175.3	-150.4	-177.6	-176	-157.3	0	110.8	K422 T444 E448	K422-K446 HydrophobicContact CB-CG 4.39Å; T444-K446 HydrophobicContact CG2-CB 4.36Å; T444-K446 PolarHBondContact O-N 2.8Å; K446-E448 WeakPolarHBondContact CE-OE1 3.41Å; K446-E448 VanDerWaalsContact CE-OE2 3.31Å; K446-E448 WeakPolarHBondContact CE-OE2 3.5Å; K446-E448 IonicContact NZ-OE1 2.65Å; K446-E448 PolarHBondContact NZ-OE1 3.3Å; K446-E448 IonicContact NZ-OE2 2.77Å; K446-E448 PolarHBondContact NZ-OE2 2.03Å
447	K	32	Very low	30.5	Very low	71 Å²	71	87.7 Å²	87.7	31%	0.309	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	96.4	169.7	-156.3	173.9	-174.2	-177.6	0	109.6	K422 K423 E424	K422-K447 PolarHBondContact O-N 3.19Å; K423-K447 HydrophobicContact CG-CB 4.4Å; E424-K447 PolarHBondContact N-O 2.81Å
448	E	33.7	Very low	30.5	Very low	74 Å²	74	89.7 Å²	89.7	35%	0.346	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.9	-175.3	-119.4	172.6	169.5	0	0	111.2	E424 K446 L450	E424-E448 HydrophobicContact CB-CG 4.45Å; K446-E448 WeakPolarHBondContact CE-OE1 3.41Å; K446-E448 VanDerWaalsContact CE-OE2 3.31Å; K446-E448 WeakPolarHBondContact CE-OE2 3.5Å; K446-E448 IonicContact NZ-OE1 2.65Å; K446-E448 PolarHBondContact NZ-OE1 3.3Å; K446-E448 IonicContact NZ-OE2 2.77Å; K446-E448 PolarHBondContact NZ-OE2 2.03Å; E448-L450 HydrophobicContact CB-CD1 4.49Å; E448-L450 HydrophobicContact CB-CG 4.18Å; E448-L450 HydrophobicContact CG-CD1 4.02Å; E448-L450 HydrophobicContact CG-CD2 4.13Å; E448-L450 HydrophobicContact CG-CG 3.75Å; E448-L450 WeakPolarHBondContact OE1-CD1 3.44Å
449	N	30.8	Very low	30.4	Very low	110 Å²	110	88.3 Å²	88.3	59%	0.588	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	99.9	159.1	-76.5	-33.5	0	0	0	107	E424 N425	E424-N449 PolarHBondContact O-N 2.77Å; N425-N449 PolarHBondContact OD1-ND2 2.84Å
450	L	31.7	Very low	30	Very low	103 Å²	103	88.8 Å²	88.8	54%	0.539	52%	0.521	S	S	.	.			trans	-111.1	124.3	179.7	-68.7	176.8	0	0	0	110.7	L426 E448	L426-L450 HydrophobicContact CB-CD2 4.31Å; L426-L450 HydrophobicContact CD1-CD2 3.5Å; E448-L450 HydrophobicContact CB-CD1 4.49Å; E448-L450 HydrophobicContact CB-CG 4.18Å; E448-L450 HydrophobicContact CG-CD1 4.02Å; E448-L450 HydrophobicContact CG-CD2 4.13Å; E448-L450 HydrophobicContact CG-CG 3.75Å; E448-L450 WeakPolarHBondContact OE1-CD1 3.44Å
451	G	25.6	Very low	30	Very low	66 Å²	66	91.6 Å²	91.6	68%	0.68	54%	0.542	S	S	*	.			trans	-118.8	114.6	157.1	0	0	0	0	0	108.8
452	G	27.8	Very low	29.9	Very low	65 Å²	65	94 Å²	94	67%	0.67	55%	0.551	S	S	*	*	S	Bend	trans	141.4	134	176.9	0	0	0	0	0	113.4
453	D	27.5	Very low	29.5	Very low	159 Å²	159	95 Å²	95	85%	0.85	56%	0.562	S	S	*	*			trans	-75.6	145.4	-169.6	-73	-37.5	0	0	0	114
454	K	30.1	Very low	29.4	Very low	139 Å²	139	99.1 Å²	99.1	60%	0.604	58%	0.582	S	S	*	*			trans	-128.1	144.2	176.7	-107.4	-170	174.6	-164.3	0	112.3
455	T	27.1	Very low	29.3	Very low	134 Å²	134	102.5 Å²	102.5	82%	0.822	59%	0.594	S	S	*	*			trans	-125.8	126.4	171.7	-20.2	0	0	0	0	109.6
456	E	29.9	Very low	29.2	Very low	146 Å²	146	104.1 Å²	104.1	68%	0.682	61%	0.607	S	S	*	*			trans	-128.9	137.9	175.3	-91	178.8	-165.3	0	0	109.3
457	P	31	Very low	29.1	Very low	121 Å²	121	104 Å²	104	79%	0.786	61%	0.612	S	S	*	*				-157.3	174.3	120.2	34.3	-13.3	0	0	0	113.5
458	S	28.3	Very low	29	Very low	104 Å²	104	106.1 Å²	106.1	73%	0.727	63%	0.627	S	S	*	*			cis	-163.4	147.4	-4.8	36.3	0	0	0	0	107
459	G	25.6	Very low	28.9	Very low	58 Å²	58	109.3 Å²	109.3	60%	0.598	64%	0.64	S	S	*	*			trans	129.8	93	165	0	0	0	0	0	113.8
460	I	26.5	Very low	29	Very low	82 Å²	82	112.8 Å²	112.8	42%	0.421	65%	0.65	S	S	.	*			trans	178.7	133.6	140.9	-89.5	143.3	0	0	0	109	I437	I437-I460 VanDerWaalsContact O-CD1 3.3Å; I437-I460 WeakPolarHBondContact O-CD1 2.88Å
461	S	28.3	Very low	29.1	Very low	112 Å²	112	113.8 Å²	113.8	78%	0.783	65%	0.652	S	S	*	*			trans	-70.1	136.6	176.9	45	0	0	0	0	112.6
462	Q	29	Very low	29.3	Very low	131 Å²	131	116.6 Å²	116.6	61%	0.612	65%	0.651	S	S	*	*			trans	-107.6	148.6	-179	-55.7	-150.6	-64.3	0	0	112.5
463	P	26.8	Very low	29.6	Very low	72 Å²	72	120 Å²	120	47%	0.468	65%	0.653	S	S	.	*	P	Polyproline II helix	trans	-95.4	171.6	145.5	8.4	13.2	0	0	0	111.6	D441	D441-P463 WeakPolarHBondContact OD1-CB 3.21Å
464	D	29.2	Very low	29.8	Very low	153 Å²	153	121.4 Å²	121.4	82%	0.818	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-67.6	122.5	-152.4	-72.4	-49.3	0	0	0	116.8	D441	D441-D464 PolarHBondContact OD1-N 2.86Å
465	K	30.1	Very low	29.8	Very low	103 Å²	103	117.3 Å²	117.3	45%	0.448	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-90.1	127.2	170.2	-81.3	-179.5	176.4	173.4	0	112.2
466	T	29.6	Very low	30.1	Very low	106 Å²	106	119 Å²	119	65%	0.65	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-97.1	126.8	156.2	36.2	0	0	0	0	108.8
467	T	29.6	Very low	30.2	Very low	74 Å²	74	117.3 Å²	117.3	45%	0.454	66%	0.662	S	S	.	*			trans	-137.6	110.1	-175.3	-60.7	0	0	0	0	109.4	K469	T467-K469 PolarHBondContact O-N 2.81Å
468	D	31.7	Very low	30.2	Very low	116 Å²	116	116.8 Å²	116.8	62%	0.62	66%	0.661	S	S	*	*			trans	-89.8	84.2	176.3	-80.6	-27.4	0	0	0	110.8	K470	D468-K470 PolarHBondContact O-N 3.39Å
469	K	31.7	Very low	30.7	Very low	141 Å²	141	119.1 Å²	119.1	61%	0.613	66%	0.664	S	S	*	*			trans	-75.6	90.4	-179.1	-153.9	-172.1	-173.3	-147.3	0	111.3	T467 E471	T467-K469 PolarHBondContact O-N 2.81Å; K469-E471 WeakPolarHBondContact CE-OE1 3.37Å; K469-E471 IonicContact NZ-OE1 3.96Å; K469-E471 PolarHBondContact NZ-OE1 3.2Å; K469-E471 PolarHBondContact O-N 3.42Å
470	K	31.2	Very low	31	Very low	183 Å²	183	123.9 Å²	123.9	80%	0.796	67%	0.674	S	S	*	*			trans	-86.2	85.3	174.3	-123	175.1	-171.4	167	0	112.8	D468 N472	D468-K470 PolarHBondContact O-N 3.39Å; K470-N472 PolarHBondContact O-N 2.98Å
471	E	33.9	Very low	31.6	Very low	124 Å²	124	130.5 Å²	130.5	58%	0.579	69%	0.694	S	S	*	*			trans	-69.4	91.3	168	-73.2	178.3	-176.6	0	0	110.4	K469 L473	K469-E471 WeakPolarHBondContact CE-OE1 3.37Å; K469-E471 IonicContact NZ-OE1 3.96Å; K469-E471 PolarHBondContact NZ-OE1 3.2Å; K469-E471 PolarHBondContact O-N 3.42Å; E471-L473 PolarHBondContact O-N 2.62Å
472	N	31.3	Very low	32	Very low	126 Å²	126	132.3 Å²	132.3	67%	0.674	69%	0.693	S	S	*	*			trans	-75.9	82.9	170.2	-127	9.3	0	0	0	109.1	K470 L474	K470-N472 PolarHBondContact O-N 2.98Å; N472-L474 PolarHBondContact O-N 3.29Å
473	L	33.6	Very low	32.5	Very low	137 Å²	137	130.4 Å²	130.4	72%	0.717	69%	0.694	S	S	*	*			trans	-65.4	113	156.9	-93.7	143.9	0	0	0	107.6	E471 G475	E471-L473 PolarHBondContact O-N 2.62Å; L473-G475 VanDerWaalsContact C-N 3.31Å; L473-G475 PolarHBondContact O-N 2.92Å
474	L	31.6	Very low	33.2	Very low	187 Å²	187	135.1 Å²	135.1	98%	0.979	71%	0.71	S	S	*	*	S	Bend	trans	-62.7	97.4	164.7	-79.7	162.5	0	0	0	107.7	N472	N472-L474 PolarHBondContact O-N 3.29Å
475	G	29.5	Very low	33.5	Very low	54 Å²	54	135.4 Å²	135.4	56%	0.557	71%	0.711	S	S	*	*			trans	137	93.4	172.8	0	0	0	0	0	112.1	L473	L473-G475 VanDerWaalsContact C-N 3.31Å; L473-G475 PolarHBondContact O-N 2.92Å
476	L	34.5	Very low	34	Very low	170 Å²	170	138.3 Å²	138.3	89%	0.89	73%	0.726	S	S	*	*			trans	155.7	138.1	143.8	-80.8	160.7	0	0	0	110.2
477	P	30.7	Very low	34.6	Very low	110 Å²	110	140.8 Å²	140.8	71%	0.714	74%	0.735	S	S	*	*			trans	-85.9	143	-172.6	33.7	-32.1	0	0	0	113.4
478	S	31.3	Very low	34.9	Very low	109 Å²	109	145.9 Å²	145.9	76%	0.762	76%	0.759	S	S	*	*			trans	42.5	115.6	148.6	-51.4	0	0	0	0	120.2
479	I	38.4	Very low	35.1	Very low	154 Å²	154	149.7 Å²	149.7	79%	0.79	77%	0.77	S	S	*	*			trans	-159.7	122.4	138.9	-83.4	128.3	0	0	0	108.3	R481	I479-R481 HydrophobicContact CG2-CG 4.19Å
480	I	32	Very low	35.5	Very low	158 Å²	158	150.8 Å²	150.8	81%	0.81	78%	0.781	S	S	*	*			trans	-79.9	129.1	169.8	-64.1	168.1	0	0	0	107.7
481	R	38.9	Very low	36	Very low	220 Å²	220	149 Å²	149	83%	0.83	78%	0.781	S	S	*	*			trans	-110.2	137.7	167.9	-74.4	-161.7	-175.6	-151.1	4	111.3	I479 S483	I479-R481 HydrophobicContact CG2-CG 4.19Å; R481-S483 PolarHBondContact O-N 3.21Å
482	I	38.3	Very low	35.9	Very low	150 Å²	150	154.2 Å²	154.2	77%	0.769	80%	0.796	S	S	*	*			trans	-101.5	61.9	-160	-55.2	166.5	0	0	0	109
483	S	39.3	Very low	36.3	Very low	92 Å²	92	152.9 Å²	152.9	64%	0.643	80%	0.803	S	S	*	*			trans	-117.4	-2.3	-170.9	44.4	0	0	0	0	117	R481	R481-S483 PolarHBondContact O-N 3.21Å
484	E	40	Very low	36.4	Very low	170 Å²	170	149.5 Å²	149.5	79%	0.794	80%	0.801	S	S	*	*			trans	-137.1	33	-176.5	-64.4	-174.7	166.5	0	0	113.8	E486	E484-E486 PolarHBondContact O-N 3.19Å
485	L	36	Very low	36.8	Very low	159 Å²	159	149.9 Å²	149.9	83%	0.832	80%	0.798	S	S	*	*			trans	-84.4	21.1	169.2	-109.6	157.7	0	0	0	112.8
486	E	40.2	Very low	36.8	Very low	164 Å²	164	152.8 Å²	152.8	77%	0.766	81%	0.808	S	S	*	*			trans	-111.8	96.2	-178.7	-68.8	-175	160.3	0	0	109.2	E484	E484-E486 PolarHBondContact O-N 3.19Å
487	N	42.8	Very low	37	Very low	158 Å²	158	153 Å²	153	85%	0.845	81%	0.808	S	S	*	*			trans	171	13.4	145.1	-85.2	-36.1	0	0	0	115	K489	N487-K489 VanDerWaalsContact C-N 3.28Å; N487-K489 PolarHBondContact O-N 2.99Å
488	L	35.3	Very low	37.2	Very low	181 Å²	181	157.5 Å²	157.5	95%	0.948	81%	0.813	S	S	*	*			trans	-72.6	85.5	157.6	-94.2	104.2	0	0	0	110.3
489	K	37.1	Very low	37.1	Very low	197 Å²	197	156.6 Å²	156.6	86%	0.857	81%	0.811	S	S	*	*			trans	-115.3	94.3	160.6	-89.1	-176.8	177.8	172.4	0	109.2	N487	N487-K489 VanDerWaalsContact C-N 3.28Å; N487-K489 PolarHBondContact O-N 2.99Å
490	L	39.5	Very low	37.1	Very low	163 Å²	163	154.3 Å²	154.3	85%	0.853	81%	0.809	S	S	*	*			trans	-139.9	97	157.2	-106	158.5	0	0	0	109.3
491	N	42.6	Very low	37.2	Very low	146 Å²	146	156.1 Å²	156.1	78%	0.781	81%	0.812	S	S	*	*			trans	35.9	99	147.2	-69.4	-21.4	0	0	0	120.8
492	Y	31.8	Very low	37.3	Very low	233 Å²	233	151.2 Å²	151.2	91%	0.914	81%	0.808	S	S	*	*				20.7	116.7	125.7	-98.1	-99.6	0	0	0	119.5
493	A	38.7	Very low	37.4	Very low	99 Å²	99	149.6 Å²	149.6	82%	0.818	81%	0.81	S	S	*	*				-175.5	102.3	113.1	0	0	0	0	0	112.4
494	G	36.5	Very low	37.5	Very low	65 Å²	65	148.7 Å²	148.7	67%	0.67	82%	0.815	S	S	*	*			trans	55.5	104.5	140.1	0	0	0	0	0	121.2
495	H	38.7	Very low	37.7	Very low	196 Å²	196	151.9 Å²	151.9	91%	0.907	82%	0.82	S	S	*	*				170.3	119.2	100.1	-95	72.6	0	0	0	110.6
496	C	31	Very low	38	Very low	115 Å²	115	148.6 Å²	148.6	78%	0.777	81%	0.81	S	S	*	*			trans	-74.7	143.5	174.1	-57.5	0	0	0	0	111.4
497	I	37.7	Very low	38.2	Very low	173 Å²	173	147.2 Å²	147.2	89%	0.887	81%	0.808	S	S	*	*			trans	-136.4	132.4	142.2	-58.5	-173.5	0	0	0	109.9
498	Y	35.7	Very low	38.6	Very low	206 Å²	206	147.4 Å²	147.4	81%	0.808	81%	0.809	S	S	*	*			trans	-58.1	144.5	-171.6	-89.4	-111.4	0	0	0	116.6
499	A	27.6	Very low	39.3	Very low	89 Å²	89	151.5 Å²	151.5	74%	0.736	82%	0.823	S	S	*	*			trans	-103.6	135	153.8	0	0	0	0	0	109.6
500	S	39.8	Very low	39.4	Very low	106 Å²	106	149.3 Å²	149.3	74%	0.741	82%	0.822	S	S	*	*			trans	-132.9	114.6	169.4	-50.8	0	0	0	0	107.7
501	F	34.3	Very low	39.4	Very low	197 Å²	197	148.5 Å²	148.5	86%	0.864	82%	0.82	S	S	*	*			trans	-98.9	152.1	164.2	-78	-85.7	0	0	0	109.4
502	P	41.1	Very low	39.2	Very low	116 Å²	116	148.7 Å²	148.7	75%	0.753	82%	0.822	S	S	*	*			trans	-131.4	124.2	139.5	27.7	-10.5	0	0	0	112.8
503	S	39.8	Very low	39.6	Very low	117 Å²	117	143.7 Å²	143.7	82%	0.818	82%	0.817	S	S	*	*			trans	16.5	137.5	135.9	58.3	0	0	0	0	121.9
504	G	41.4	Very low	39.7	Very low	72 Å²	72	146.5 Å²	146.5	74%	0.742	82%	0.817	S	S	*	*			trans	107.2	98.5	141.3	0	0	0	0	0	113.2
505	R	44.1	Very low	39.9	Very low	237 Å²	237	151.9 Å²	151.9	89%	0.894	83%	0.827	S	S	*	*				91.6	135.1	78.7	-171.1	179.3	-166.3	159.2	4.9	111.4
506	S	43.1	Very low	40	Very low	90 Å²	90	148.8 Å²	148.8	63%	0.629	82%	0.821	S	S	*	*			trans	67	141.6	163.1	51.8	0	0	0	0	116.8
507	D	44.4	Very low	40.7	Very low	136 Å²	136	151.4 Å²	151.4	73%	0.727	82%	0.824	S	S	*	*			cis	-174.8	156.8	-9.5	-89.6	-32.9	0	0	0	103
508	D	49.7	Very low	40.9	Very low	162 Å²	162	149.6 Å²	149.6	87%	0.866	82%	0.819	S	S	*	*			trans	65	126.4	164.9	-48.2	-40.9	0	0	0	116.2
509	E	50.4	Low	41.4	Very low	267 Å²	267	144.5 Å²	144.5	100%	1.248	82%	0.82	S	S	*	*			cis	-155.8	0	34.7	-169.5	176.6	-173.4	0	0	109.4

Retrieved 509 of 509 residues in 113.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).