A0A090N7V4_HUMAN Loading...

Immune associated nucleotide 2

AlphaFold DB (Q6P9H5), UniProt , Accession A0A090N7V4, Species HUMAN (Homo sapiens, Human), Gene hIAN2, Length 292 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	38.3	Very low	38.9	Very low	227 Å²	227	177.5 Å²	177.5	100%	1.118	84%	0.844	S	S	*	*				0	106.1	0	-156.8	177.1	-73.5	0	0	103.5
2	E	43.9	Very low	38.5	Very low	165 Å²	165	175.3 Å²	175.3	77%	0.771	83%	0.832	S	S	*	*			trans	65	110.5	169.9	-68.8	157.1	-155.8	0	0	116.4
3	E	40.5	Very low	38.3	Very low	173 Å²	173	172.8 Å²	172.8	81%	0.808	83%	0.827	S	S	*	*				76.9	131.8	89	-80.7	179.7	-165.7	0	0	110
4	E	40.1	Very low	39.3	Very low	171 Å²	171	168.1 Å²	168.1	80%	0.799	82%	0.818	S	S	*	*			cis	-155.5	159.2	12.6	-86.9	158.1	157.6	0	0	103.9
5	E	41.8	Very low	39.5	Very low	185 Å²	185	164.1 Å²	164.1	86%	0.864	81%	0.81	S	S	*	*				-179.6	143.3	67.9	-164.6	173.1	-168.7	0	0	106.7
6	Y	37	Very low	39.3	Very low	230 Å²	230	165.5 Å²	165.5	90%	0.902	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-82.5	126.7	-163.2	-76.9	-103	0	0	0	113.6
7	E	43	Very low	38.9	Very low	198 Å²	198	166.1 Å²	166.1	93%	0.925	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-79.5	138.5	162.2	-111.8	174	169.9	0	0	110.6
8	Q	33.6	Very low	38.6	Very low	180 Å²	180	166.3 Å²	166.3	84%	0.841	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-73.9	171.2	-168.4	-63.2	174.6	6.4	0	0	113.8
9	I	33.4	Very low	38.5	Very low	162 Å²	162	162.6 Å²	162.6	83%	0.831	81%	0.81	S	S	*	*			trans	121.3	138.3	162.5	-55.7	152.7	0	0	0	111.8
10	P	42.5	Very low	38.4	Very low	109 Å²	109	163.4 Å²	163.4	71%	0.708	81%	0.811	S	S	*	*				-133.6	-171.2	-55.8	40.2	-19.4	0	0	0	111.4
11	Q	33.4	Very low	38.2	Very low	153 Å²	153	163 Å²	163	72%	0.715	81%	0.812	S	S	*	*			trans	154.9	130.4	133.6	-81.2	-145.9	-68	0	0	114.5
12	E	34.9	Very low	38.3	Very low	151 Å²	151	157 Å²	157	71%	0.706	79%	0.791	S	S	*	*			trans	66.7	140	135.9	-70.5	-171.8	-174.4	0	0	121.2
13	N	35	Very low	37.8	Very low	142 Å²	142	155 Å²	155	76%	0.759	79%	0.789	S	S	*	*			cis	-175.4	-174.2	-15.5	-126.9	-5	0	0	0	108.1
14	P	52.9	Low	37.4	Very low	108 Å²	108	155.2 Å²	155.2	70%	0.701	80%	0.795	S	S	*	*			trans	-104.9	-159.5	-132.9	42.4	-27.8	0	0	0	114.8
15	P	42.2	Very low	37.1	Very low	108 Å²	108	154.9 Å²	154.9	70%	0.701	79%	0.793	S	S	*	*				-149.4	171.1	86.3	42.2	-22.1	0	0	0	113.3
16	E	37.2	Very low	36.6	Very low	186 Å²	186	154.8 Å²	154.8	87%	0.869	80%	0.798	S	S	*	*				-173.5	158.8	62.1	-129	167.2	-159.2	0	0	111.4
17	E	31.2	Very low	36.5	Very low	176 Å²	176	148.2 Å²	148.2	82%	0.822	79%	0.785	S	S	*	*			trans	-66.6	173.8	-166.3	-79	168.6	139.1	0	0	120.6
18	L	33.6	Very low	36	Very low	170 Å²	170	142.3 Å²	142.3	89%	0.89	78%	0.778	S	S	*	*			trans	104.7	124.4	155.9	-59	160.9	0	0	0	115.3
19	S	36.6	Very low	35.9	Very low	95 Å²	95	137.3 Å²	137.3	66%	0.664	78%	0.775	S	S	*	*			cis	-168.4	142.7	2.2	60.6	0	0	0	0	111.3
20	Q	36.5	Very low	36	Very low	178 Å²	178	137.4 Å²	137.4	83%	0.832	78%	0.776	S	S	*	*			trans	54.8	106.7	140.4	-62.3	174.6	0.5	0	0	122.8
21	D	34.1	Very low	35.8	Very low	155 Å²	155	143.6 Å²	143.6	83%	0.829	79%	0.785	S	S	*	*				55	166	122	-74.7	-13.6	0	0	0	122.9
22	P	41	Very low	36	Very low	103 Å²	103	144.7 Å²	144.7	67%	0.669	79%	0.79	S	S	*	*				-141.9	-173.6	-52.2	41.2	-22.3	0	0	0	113
23	V	33.8	Very low	36.3	Very low	121 Å²	121	146.2 Å²	146.2	73%	0.733	80%	0.795	S	S	*	*			trans	71.8	107.2	161.1	-171.9	0	0	0	0	117.9	E25	V23-E25 PolarHBondContact O-N 3Å
24	L	32	Very low	36.9	Very low	179 Å²	179	148.1 Å²	148.1	94%	0.937	80%	0.799	S	S	*	*			trans	-67.6	94	164.4	-74.6	161	0	0	0	109.9	L26	L24-L26 PolarHBondContact O-N 3.49Å
25	E	32.6	Very low	36.8	Very low	163 Å²	163	146.9 Å²	146.9	76%	0.762	78%	0.784	S	S	*	*			trans	-71.4	122.6	166.8	-80.8	-166.2	158.7	0	0	111.1	V23 S27	V23-E25 PolarHBondContact O-N 3Å; E25-S27 VanDerWaalsContact C-N 3.27Å; E25-S27 PolarHBondContact O-N 3.03Å
26	L	31.8	Very low	37.9	Very low	184 Å²	184	151.2 Å²	151.2	96%	0.963	79%	0.792	S	S	*	*			trans	-67.6	82.3	161.2	-70.6	156.9	0	0	0	109.2	L24	L24-L26 PolarHBondContact O-N 3.49Å
27	S	36.3	Very low	39.8	Very low	91 Å²	91	145.8 Å²	145.8	64%	0.636	77%	0.771	S	S	*	*			trans	-122.8	87	163.2	56.3	0	0	0	0	109	E25 G29	E25-S27 VanDerWaalsContact C-N 3.27Å; E25-S27 PolarHBondContact O-N 3.03Å; S27-G29 PolarHBondContact O-N 2.95Å; S27-G29 VanDerWaalsContact O-N 3.1Å
28	G	32.3	Very low	42.5	Very low	75 Å²	75	139.1 Å²	139.1	77%	0.773	74%	0.743	S	S	*	*			trans	-55.1	116.2	165.2	0	0	0	0	0	108.6	L30	G28-L30 PolarHBondContact O-N 2.86Å
29	G	30.5	Very low	45.2	Very low	74 Å²	74	141.3 Å²	141.3	76%	0.763	74%	0.74	S	S	*	*			trans	-57.5	99.2	178.2	0	0	0	0	0	110.9	S27 R31	S27-G29 PolarHBondContact O-N 2.95Å; S27-G29 VanDerWaalsContact O-N 3.1Å; G29-R31 PolarHBondContact O-N 3.1Å
30	L	35.5	Very low	48.1	Very low	165 Å²	165	141.7 Å²	141.7	86%	0.864	73%	0.727	S	S	*	*			trans	-62.2	94.3	147.6	-70.7	169.5	0	0	0	105	G28 E32	G28-L30 PolarHBondContact O-N 2.86Å; L30-E32 PolarHBondContact O-N 3.46Å
31	R	37.9	Very low	50.9	Low	238 Å²	238	133.3 Å²	133.3	90%	0.898	69%	0.687	S	S	*	*			trans	-57.2	97.4	158.9	-73.2	-179.6	-177.7	-118.6	1.3	105.1	G29 K33	G29-R31 PolarHBondContact O-N 3.1Å; R31-K33 PolarHBondContact O-N 2.98Å
32	E	39.3	Very low	54	Low	177 Å²	177	126.9 Å²	126.9	83%	0.827	65%	0.651	S	S	*	*			trans	-52.6	98.8	157.7	-71.5	177.8	162.7	0	0	104.9	L30 E34	L30-E32 PolarHBondContact O-N 3.46Å; E32-E34 PolarHBondContact O-N 3.19Å
33	K	40.8	Very low	56.7	Low	183 Å²	183	122 Å²	122	80%	0.796	62%	0.62	S	S	*	*			trans	-60.9	99.2	158	-82.4	-176.8	176.2	179.6	0	102.9	R31 Q35	R31-K33 PolarHBondContact O-N 2.98Å; K33-Q35 PolarHBondContact O-N 3.46Å
34	E	46	Very low	59.8	Low	182 Å²	182	116.2 Å²	116.2	85%	0.85	59%	0.585	S	S	*	*			trans	-54.5	92.3	162	-77.2	-174.1	152.4	0	0	106	E32 K36	E32-E34 PolarHBondContact O-N 3.19Å; E34-K36 PolarHBondContact O-N 3.37Å
35	Q	52.7	Low	63	Low	81 Å²	81	107.7 Å²	107.7	38%	0.379	54%	0.54	S	S	.	.			trans	-69.4	92.2	176.4	-112.4	167.7	2.7	0	0	105.2	K33 T37	K33-Q35 PolarHBondContact O-N 3.46Å; Q35-T37 VanDerWaalsContact C-N 3.32Å; Q35-T37 PolarHBondContact O-N 3.34Å
36	K	64.7	Low	66.1	Low	199 Å²	199	100 Å²	100	87%	0.865	50%	0.504	S	S	*	.			trans	-64.4	95.6	-177	-157.8	173.8	-169	171.2	0	107.5	E34	E34-K36 PolarHBondContact O-N 3.37Å
37	T	76.3	Confident	69.1	Low	72 Å²	72	91.3 Å²	91.3	44%	0.442	46%	0.459	S	S	.	.			trans	-53.7	135.9	-179.9	58	0	0	0	0	109.1	Q35 R39	Q35-T37 VanDerWaalsContact C-N 3.32Å; Q35-T37 PolarHBondContact O-N 3.34Å; T37-R39 PolarHBondContact O-N 2.98Å
38	P	87.4	Confident	71.9	Confident	36 Å²	36	88 Å²	88	23%	0.234	43%	0.433	C	S	.	.			trans	-59.8	137.7	-176	23.6	-33	0	0	0	110.6	R40 L41 M223	P38-R40 PolarHBondContact O-N 2.9Å; P38-L41 HydrophobicContact CG-CD2 3.76Å; P38-M223 HydrophobicContact CG-SD 3.83Å
39	R	92.1	Very high	74.7	Confident	217 Å²	217	87.1 Å²	87.1	82%	0.819	41%	0.413	S	S	*	.	S	Bend	trans	-62.7	-27.6	176.3	-81.5	-173.4	171.7	159.7	-2.8	112.6	T37 K89 E90	T37-R39 PolarHBondContact O-N 2.98Å; R39-K89 CarbonylContact O-C 3.58Å; R39-K89 WeakPolarHBondContact O-CA 3.37Å; R39-E90 PolarHBondContact O-N 3.14Å
40	R	95.6	Very high	77.7	Confident	103 Å²	103	87 Å²	87	39%	0.389	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.6	-179	180	-178.8	-71.6	-165.1	6.7	109.7	P38 E90 E92 H124	P38-R40 PolarHBondContact O-N 2.9Å; R40-E90 CarbonylContact C-O 3.55Å; R40-E90 VanDerWaalsContact CA-O 3.28Å; R40-E90 WeakPolarHBondContact CA-O 3.44Å; R40-E90 HydrophobicContact CB-CB 4.41Å; R40-E90 HydrophobicContact CG-CB 4.45Å; R40-E90 HydrophobicContact CG-CG 4.46Å; R40-E90 IonicContact CZ-OE1 3.51Å; R40-E90 IonicContact CZ-OE2 2.68Å; R40-E90 IonicContact NE-OE1 2.65Å; R40-E90 IonicContact NE-OE2 3.75Å; R40-E90 PolarHBondContact NE-OE2 3.38Å; R40-E90 IonicContact NH2-OE1 2.86Å; R40-E90 IonicContact NH2-OE2 3.34Å; R40-E90 PolarHBondContact NH2-OE2 3.09Å; R40-E92 VanDerWaalsContact CD-CD 3.47Å; R40-E92 VanDerWaalsContact CD-OE1 3.26Å; R40-E92 WeakPolarHBondContact CD-OE1 3.49Å; R40-E92 HydrophobicContact CG-CG 4.11Å; R40-E92 IonicContact CZ-OE1 3.96Å; R40-E92 IonicContact NE-OE1 2.68Å; R40-E92 PolarHBondContact NE-OE1 2.94Å; R40-E92 IonicContact NH1-OE1 3.53Å; R40-E92 PolarHBondContact NH1-OE1 2.91Å; R40-H124 PolarHBondContact O-CE1 3.05Å
41	L	96.9	Very high	80.5	Confident	1 Å²	1	79.2 Å²	79.2	1%	0.005	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	143.8	174.8	-65.8	175.4	0	0	0	109.6	P38 K89 E90 L91 E92 H124 M216 M223	P38-L41 HydrophobicContact CG-CD2 3.76Å; L41-K89 HydrophobicContact CD1-CD 3.77Å; L41-K89 HydrophobicContact CG-CD 4.48Å; L41-E90 PolarHBondContact N-O 3.35Å; L41-L91 HydrophobicContact CB-CD1 3.79Å; L41-E92 WeakPolarHBondContact O-CB 3.45Å; L41-E92 PolarHBondContact O-N 3.05Å; L41-H124 HydrophobicContact CD2-CB 4.3Å; L41-M216 HydrophobicContact CD1-CE 3.29Å; L41-M223 HydrophobicContact CD2-CE 3.94Å; L41-M223 HydrophobicContact CD2-SD 3.49Å; L41-M223 WeakPolarHBondContact CD2-SD 3.26Å
42	R	98.3	Very high	83.2	Confident	20 Å²	20	68.9 Å²	68.9	8%	0.075	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	111.3	-174.7	-73.5	-179.7	-59.8	-75.9	-8.1	108.3	E92 I94 S119 G122 P123 H124 A125	R42-E92 WeakPolarHBondContact CA-O 3.49Å; R42-E92 HydrophobicContact CG-CB 4.14Å; R42-E92 VanDerWaalsContact CG-OE2 3.28Å; R42-E92 WeakPolarHBondContact CG-OE2 3.44Å; R42-I94 HydrophobicContact CB-CD1 4.41Å; R42-S119 WeakPolarHBondContact CD-O 3.4Å; R42-S119 PolarHBondContact NE-O 3.03Å; R42-G122 VanDerWaalsContact CZ-O 3.23Å; R42-G122 PolarHBondContact NE-O 3.42Å; R42-G122 PolarHBondContact NH2-O 3.48Å; R42-P123 CarbonylContact O-C 3.6Å; R42-H124 PolarHBondContact N-ND1 3.4Å; R42-H124 PolarHBondContact NH1-CE1 2.86Å; R42-H124 PolarHBondContact NH2-CE1 3.45Å; R42-H124 PolarHBondContact O-N 3.27Å; R42-A125 PolarHBondContact O-N 3.01Å
43	L	98.7	Very high	86	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	125.1	178.3	-52.2	-176.9	0	0	0	108.2	I60 L91 E92 V93 I94 A125 L127 L215 V219	L43-I60 HydrophobicContact CD1-CD1 4.42Å; L43-I60 HydrophobicContact CD1-CG2 4.3Å; L43-L91 HydrophobicContact CD1-CD1 3.62Å; L43-L91 HydrophobicContact CD1-CD2 4.27Å; L43-L91 HydrophobicContact CD1-CG 4.2Å; L43-L91 HydrophobicContact CG-CD1 3.8Å; L43-E92 PolarHBondContact N-O 3.4Å; L43-V93 CarbonylContact O-C 3.13Å; L43-V93 WeakPolarHBondContact O-CA 3.44Å; L43-I94 WeakPolarHBondContact O-CD1 3.43Å; L43-I94 PolarHBondContact O-N 3.3Å; L43-A125 WeakPolarHBondContact CA-O 3.39Å; L43-A125 HydrophobicContact CD2-CB 3.87Å; L43-L127 HydrophobicContact CB-CD1 4.32Å; L43-L127 HydrophobicContact CB-CG 4.48Å; L43-L127 HydrophobicContact CD1-CD1 4.24Å; L43-L215 HydrophobicContact CD1-CD2 4.33Å; L43-V219 HydrophobicContact CD2-CG1 4.34Å; L43-V219 HydrophobicContact CD2-CG2 3.9Å
44	I	98.6	Very high	88.7	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.1	174.9	-170.8	164.5	0	0	0	110	M46 I94 T96 A115 P123 A125 V126 L127	I44-M46 HydrophobicContact CD1-CE 3.46Å; I44-M46 VanDerWaalsContact CD1-CE 3.46Å; I44-M46 HydrophobicContact CG1-CE 3.76Å; I44-M46 HydrophobicContact CG2-CE 4.26Å; I44-I94 HydrophobicContact CB-CB 4.32Å; I44-I94 HydrophobicContact CD1-CG2 4.23Å; I44-I94 HydrophobicContact CG1-CB 4.05Å; I44-I94 HydrophobicContact CG1-CG2 4.15Å; I44-T96 HydrophobicContact CD1-CG2 3.91Å; I44-T96 HydrophobicContact CG1-CG2 3.75Å; I44-A115 HydrophobicContact CD1-CB 4.1Å; I44-P123 HydrophobicContact CB-CB 4.27Å; I44-P123 HydrophobicContact CG2-CB 3.66Å; I44-P123 HydrophobicContact CG2-CG 3.87Å; I44-A125 PolarHBondContact N-O 3.21Å; I44-A125 VanDerWaalsContact N-O 3.12Å; I44-V126 HydrophobicContact CG2-CB 4.15Å; I44-V126 HydrophobicContact CG2-CG1 4.19Å; I44-V126 HydrophobicContact CG2-CG2 3.73Å; I44-L127 PolarHBondContact O-N 3.27Å
45	L	98.7	Very high	91.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.5	-178.4	-55.4	174.5	0	0	0	109.3	K53 I60 V93 I94 D95 T96 L127	L45-K53 HydrophobicContact CB-CB 4.2Å; L45-K53 HydrophobicContact CB-CD 4.4Å; L45-K53 HydrophobicContact CB-CG 4.44Å; L45-K53 WeakPolarHBondContact CD1-O 3.42Å; L45-I60 HydrophobicContact CD2-CD1 4.46Å; L45-V93 HydrophobicContact CD1-CG1 3.67Å; L45-V93 HydrophobicContact CD2-CG1 4.27Å; L45-V93 HydrophobicContact CG-CG1 3.88Å; L45-I94 PolarHBondContact N-O 3.02Å; L45-D95 HydrophobicContact CD1-CB 4.12Å; L45-T96 WeakPolarHBondContact O-CG2 3.41Å; L45-T96 PolarHBondContact O-OG1 3.47Å; L45-L127 HydrophobicContact CD2-CB 3.95Å; L45-L127 HydrophobicContact CD2-CD1 3.76Å; L45-L127 HydrophobicContact CD2-CG 4.26Å
46	M	97.5	Very high	93.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.4	-180	-65.2	-63.2	-170.4	0	0	109.9	I44 T96 I99 L100 V126 L127 V129 L146 F150	I44-M46 HydrophobicContact CD1-CE 3.46Å; I44-M46 VanDerWaalsContact CD1-CE 3.46Å; I44-M46 HydrophobicContact CG1-CE 3.76Å; I44-M46 HydrophobicContact CG2-CE 4.26Å; M46-T96 HydrophobicContact SD-CG2 4.34Å; M46-I99 HydrophobicContact CE-CD1 3.73Å; M46-I99 HydrophobicContact SD-CD1 3.67Å; M46-I99 HydrophobicContact SD-CG1 4.03Å; M46-L100 HydrophobicContact CB-CD1 3.82Å; M46-L100 HydrophobicContact CG-CD1 4.23Å; M46-L100 HydrophobicContact SD-CD1 4.1Å; M46-L100 HydrophobicContact SD-CG 4.33Å; M46-V126 HydrophobicContact CB-CG1 4.07Å; M46-V126 HydrophobicContact CG-CG1 3.57Å; M46-L127 PolarHBondContact N-O 2.99Å; M46-L127 VanDerWaalsContact O-O 3.1Å; M46-V129 PolarHBondContact O-N 3.24Å; M46-L146 HydrophobicContact CG-CD1 4.22Å; M46-F150 HydrophobicContact CE-CE2 3.51Å; M46-F150 HydrophobicContact CE-CZ 3.55Å
47	G	96	Very high	95	Very high	2 Å²	2	32 Å²	32	2%	0.021	18%	0.176	C	C	.	.			trans	141.3	164	-175.3	0	0	0	0	0	112.8	K53	G47-K53 PolarHBondContact O-NZ 3.48Å
48	K	93.8	Very high	96	Very high	21 Å²	21	28.9 Å²	28.9	9%	0.091	16%	0.157	C	C	.	.			trans	-63.1	168.9	176.9	66	179.3	179.1	-168.9	0	112.9	S51 K53 T136 E138 D139 V142	K48-S51 PolarHBondContact O-OG 3.3Å; K48-S51 VanDerWaalsContact O-OG 3.14Å; K48-K53 PolarHBondContact O-NZ 3.01Å; K48-T136 PolarHBondContact NZ-OG1 3.24Å; K48-E138 HydrophobicContact CB-CG 4.21Å; K48-E138 HydrophobicContact CD-CB 4.2Å; K48-E138 HydrophobicContact CD-CG 3.96Å; K48-E138 WeakPolarHBondContact CD-OE2 3.47Å; K48-D139 WeakPolarHBondContact CE-OD1 3.49Å; K48-D139 VanDerWaalsContact CE-OD2 3.32Å; K48-D139 WeakPolarHBondContact CE-OD2 3.48Å; K48-D139 IonicContact NZ-OD1 2.71Å; K48-D139 IonicContact NZ-OD2 3.24Å; K48-D139 PolarHBondContact NZ-OD2 3Å; K48-V142 HydrophobicContact CB-CG2 4.01Å
49	T	92.2	Very high	96.5	Very high	57 Å²	57	27.3 Å²	27.3	35%	0.35	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	137.3	172.2	-59.9	0	0	0	0	109.8	S51 P74 N98	T49-S51 VanDerWaalsContact C-N 3.3Å; T49-S51 PolarHBondContact O-N 3.46Å; T49-P74 HydrophobicContact CG2-CB 4.34Å; T49-P74 HydrophobicContact CG2-CG 4.16Å; T49-N98 WeakPolarHBondContact OG1-CB 3.35Å; T49-N98 PolarHBondContact OG1-ND2 2.9Å
50	G	92.4	Very high	96.8	Very high	70 Å²	70	17 Å²	17	72%	0.722	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	-0.3	177.6	0	0	0	0	0	115.7	G52	G50-G52 PolarHBondContact O-N 2.79Å
51	S	94.6	Very high	96.9	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.014	9%	0.09	C	C	.	.	S	Bend	trans	-70.5	-13.8	175.4	67.3	0	0	0	0	114.2	K48 T49 V129 T163	K48-S51 PolarHBondContact O-OG 3.3Å; K48-S51 VanDerWaalsContact O-OG 3.14Å; T49-S51 VanDerWaalsContact C-N 3.3Å; T49-S51 PolarHBondContact O-N 3.46Å; S51-V129 WeakPolarHBondContact CB-O 3.47Å; S51-V129 WeakPolarHBondContact O-CG1 3.42Å; S51-V129 PolarHBondContact OG-O 2.88Å; S51-T163 WeakPolarHBondContact O-CG2 3.39Å; S51-T163 PolarHBondContact O-OG1 2.98Å
52	G	95.7	Very high	96.9	Very high	21 Å²	21	13.7 Å²	13.7	22%	0.216	11%	0.106	C	C	.	.			trans	101.3	16.3	176.8	0	0	0	0	0	115.5	G50 S54 A55 T56	G50-G52 PolarHBondContact O-N 2.79Å; G52-S54 PolarHBondContact O-N 2.94Å; G52-A55 WeakPolarHBondContact O-CB 3.27Å; G52-A55 PolarHBondContact O-N 2.77Å; G52-A55 VanDerWaalsContact O-N 3.16Å; G52-T56 PolarHBondContact O-N 2.87Å; G52-T56 PolarHBondContact O-OG1 3.44Å
53	K	97.4	Very high	96.9	Very high	15 Å²	15	18.2 Å²	18.2	7%	0.065	12%	0.123	C	C	.	.	H	α-helix	trans	-42.8	-62.7	177.3	-65.4	-170.7	-62	-75	0	113.6	L45 G47 K48 A55 T56 G57 T96 V129	L45-K53 HydrophobicContact CB-CB 4.2Å; L45-K53 HydrophobicContact CB-CD 4.4Å; L45-K53 HydrophobicContact CB-CG 4.44Å; L45-K53 WeakPolarHBondContact CD1-O 3.42Å; G47-K53 PolarHBondContact O-NZ 3.48Å; K48-K53 PolarHBondContact O-NZ 3.01Å; K53-A55 VanDerWaalsContact C-N 3.28Å; K53-A55 PolarHBondContact O-N 3.37Å; K53-T56 CarbonylContact O-C 3.58Å; K53-T56 WeakPolarHBondContact O-CA 3.48Å; K53-T56 WeakPolarHBondContact O-CB 3.31Å; K53-T56 PolarHBondContact O-N 2.81Å; K53-G57 PolarHBondContact O-N 2.98Å; K53-T96 WeakPolarHBondContact CE-O 3.35Å; K53-V129 HydrophobicContact CG-CB 3.95Å; K53-V129 HydrophobicContact CG-CG2 4.05Å
54	S	97.9	Very high	96.7	Very high	14 Å²	14	25.3 Å²	25.3	10%	0.098	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-37.4	-176.7	-47.9	0	0	0	0	112.9	G52 G57 N58 T76 D95	G52-S54 PolarHBondContact O-N 2.94Å; S54-G57 PolarHBondContact O-N 2.94Å; S54-N58 PolarHBondContact O-N 3.45Å; S54-T76 PolarHBondContact OG-OG1 3.19Å; S54-D95 WeakPolarHBondContact CB-OD2 3.43Å; S54-D95 PolarHBondContact OG-OD2 3.32Å
55	A	97.7	Very high	96.6	Very high	18 Å²	18	27.2 Å²	27.2	15%	0.149	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-39.3	175.3	0	0	0	0	0	112.4	G52 K53 N58 S59 S68 N201	G52-A55 WeakPolarHBondContact O-CB 3.27Å; G52-A55 PolarHBondContact O-N 2.77Å; G52-A55 VanDerWaalsContact O-N 3.16Å; K53-A55 VanDerWaalsContact C-N 3.28Å; K53-A55 PolarHBondContact O-N 3.37Å; A55-N58 PolarHBondContact O-N 2.79Å; A55-S59 PolarHBondContact O-N 2.7Å; A55-S59 PolarHBondContact O-OG 3.39Å; A55-S68 WeakPolarHBondContact CB-OG 3.34Å; A55-N201 HydrophobicContact CB-CB 3.86Å; A55-N201 WeakPolarHBondContact CB-ND2 3.47Å
56	T	98.4	Very high	96.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-41.3	172.4	-63.1	0	0	0	0	110.8	G52 K53 N58 S59 I60 V161 T163 F199 N201	G52-T56 PolarHBondContact O-N 2.87Å; G52-T56 PolarHBondContact O-OG1 3.44Å; K53-T56 CarbonylContact O-C 3.58Å; K53-T56 WeakPolarHBondContact O-CA 3.48Å; K53-T56 WeakPolarHBondContact O-CB 3.31Å; K53-T56 PolarHBondContact O-N 2.81Å; T56-N58 PolarHBondContact O-N 3.39Å; T56-S59 WeakPolarHBondContact O-CB 3.45Å; T56-S59 PolarHBondContact O-N 2.97Å; T56-I60 HydrophobicContact CG2-CD1 3.98Å; T56-I60 VanDerWaalsContact O-CG1 3.31Å; T56-I60 WeakPolarHBondContact O-CG1 3.44Å; T56-I60 PolarHBondContact O-N 3.3Å; T56-V161 HydrophobicContact CG2-CG1 4.13Å; T56-T163 WeakPolarHBondContact OG1-CG2 3.31Å; T56-F199 HydrophobicContact CG2-CD1 4.17Å; T56-F199 HydrophobicContact CG2-CE1 4.45Å; T56-F199 HydrophobicContact CG2-CG 4.36Å; T56-N201 VanDerWaalsContact CA-OD1 3.28Å; T56-N201 WeakPolarHBondContact CA-OD1 3.15Å; T56-N201 PolarHBondContact N-ND2 2.8Å; T56-N201 PolarHBondContact N-OD1 2.9Å; T56-N201 PolarHBondContact OG1-ND2 2.92Å; T56-N201 VanDerWaalsContact OG1-ND2 3.11Å; T56-N201 PolarHBondContact OG1-OD1 3.23Å
57	G	98.4	Very high	96.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-44.8	173.2	0	0	0	0	0	113.1	K53 S54 S59 I60 L61	K53-G57 PolarHBondContact O-N 2.98Å; S54-G57 PolarHBondContact O-N 2.94Å; G57-S59 VanDerWaalsContact C-N 3.31Å; G57-S59 PolarHBondContact O-N 3.09Å; G57-I60 PolarHBondContact O-N 3.23Å; G57-L61 WeakPolarHBondContact O-CB 3.4Å; G57-L61 VanDerWaalsContact O-CG 3.24Å; G57-L61 WeakPolarHBondContact O-CG 3.37Å; G57-L61 PolarHBondContact O-N 2.95Å
58	N	98.2	Very high	96.2	Very high	7 Å²	7	35.4 Å²	35.4	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-63	-38.6	174.8	-69.7	-11.1	0	0	0	112	S54 A55 T56 L61 G62 R63 D64 V65 F66	S54-N58 PolarHBondContact O-N 3.45Å; A55-N58 PolarHBondContact O-N 2.79Å; T56-N58 PolarHBondContact O-N 3.39Å; N58-L61 CarbonylContact O-C 3.55Å; N58-L61 PolarHBondContact O-N 3.36Å; N58-G62 PolarHBondContact O-N 3.02Å; N58-R63 WeakPolarHBondContact CA-O 3.37Å; N58-R63 WeakPolarHBondContact CB-O 2.93Å; N58-R63 PolarHBondContact O-N 3.46Å; N58-R63 VanDerWaalsContact O-N 3.12Å; N58-D64 PolarHBondContact ND2-OD1 2.92Å; N58-V65 PolarHBondContact OD1-N 3Å; N58-V65 VanDerWaalsContact OD1-N 3.07Å; N58-F66 PolarHBondContact ND2-O 3.23Å; N58-F66 WeakPolarHBondContact OD1-CB 3.4Å; N58-F66 WeakPolarHBondContact OD1-CD2 3.32Å; N58-F66 PolarHBondContact OD1-N 3.3Å
59	S	98.2	Very high	96	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-44.4	177.8	-59.6	0	0	0	0	111.9	A55 T56 G57 L61 G62 N201	A55-S59 PolarHBondContact O-N 2.7Å; A55-S59 PolarHBondContact O-OG 3.39Å; T56-S59 WeakPolarHBondContact O-CB 3.45Å; T56-S59 PolarHBondContact O-N 2.97Å; G57-S59 VanDerWaalsContact C-N 3.31Å; G57-S59 PolarHBondContact O-N 3.09Å; S59-L61 VanDerWaalsContact C-N 3.34Å; S59-L61 PolarHBondContact O-N 2.92Å; S59-G62 PolarHBondContact O-N 3.39Å; S59-N201 WeakPolarHBondContact OG-CA 3.45Å; S59-N201 PolarHBondContact OG-OD1 2.64Å; S59-N201 VanDerWaalsContact OG-OD1 3.13Å
60	I	98.4	Very high	95.6	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-42.6	174.9	-68.7	166.5	0	0	0	110.8	L43 L45 T56 G57 G62 L91 V93 L127 F199 L212 L215	L43-I60 HydrophobicContact CD1-CD1 4.42Å; L43-I60 HydrophobicContact CD1-CG2 4.3Å; L45-I60 HydrophobicContact CD2-CD1 4.46Å; T56-I60 HydrophobicContact CG2-CD1 3.98Å; T56-I60 VanDerWaalsContact O-CG1 3.31Å; T56-I60 WeakPolarHBondContact O-CG1 3.44Å; T56-I60 PolarHBondContact O-N 3.3Å; G57-I60 PolarHBondContact O-N 3.23Å; I60-G62 VanDerWaalsContact C-N 3.27Å; I60-G62 PolarHBondContact O-N 2.88Å; I60-L91 HydrophobicContact CG2-CD2 3.34Å; I60-L91 HydrophobicContact CG2-CG 4.24Å; I60-V93 HydrophobicContact CB-CG2 4.28Å; I60-V93 HydrophobicContact CG2-CG2 3.57Å; I60-L127 HydrophobicContact CD1-CD1 3.6Å; I60-F199 HydrophobicContact CG1-CE1 3.97Å; I60-F199 HydrophobicContact CG1-CZ 4.12Å; I60-L212 HydrophobicContact CB-CD1 4.46Å; I60-L212 HydrophobicContact CG1-CD1 4.37Å; I60-L212 HydrophobicContact CG2-CD1 3.96Å; I60-L215 HydrophobicContact CD1-CD2 3.66Å; I60-L215 HydrophobicContact CG1-CD2 3.9Å
61	L	98.1	Very high	95.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-79.1	-8	-178.9	-66.2	171	0	0	0	113.6	G57 N58 S59 R63 V65 F66 R82 R84 V93	G57-L61 WeakPolarHBondContact O-CB 3.4Å; G57-L61 VanDerWaalsContact O-CG 3.24Å; G57-L61 WeakPolarHBondContact O-CG 3.37Å; G57-L61 PolarHBondContact O-N 2.95Å; N58-L61 CarbonylContact O-C 3.55Å; N58-L61 PolarHBondContact O-N 3.36Å; S59-L61 VanDerWaalsContact C-N 3.34Å; S59-L61 PolarHBondContact O-N 2.92Å; L61-R63 HydrophobicContact CB-CG 4.39Å; L61-R63 PolarHBondContact O-N 3.42Å; L61-V65 HydrophobicContact CB-CG2 4.45Å; L61-V65 HydrophobicContact CD1-CG2 3.42Å; L61-V65 VanDerWaalsContact CD1-CG2 3.42Å; L61-F66 HydrophobicContact CD1-CD2 4.31Å; L61-F66 HydrophobicContact CD1-CE2 3.52Å; L61-F66 HydrophobicContact CD1-CZ 3.96Å; L61-R82 HydrophobicContact CD1-CB 3.52Å; L61-R82 HydrophobicContact CD1-CG 4.43Å; L61-R84 HydrophobicContact CD2-CB 3.9Å; L61-R84 WeakPolarHBondContact O-CD 3.29Å; L61-V93 HydrophobicContact CD1-CB 4.18Å; L61-V93 HydrophobicContact CD1-CG2 4.42Å; L61-V93 HydrophobicContact CD2-CB 4.26Å; L61-V93 HydrophobicContact CD2-CG2 3.8Å; L61-V93 HydrophobicContact CG-CB 4.24Å; L61-V93 HydrophobicContact CG-CG2 3.92Å
62	G	96.8	Very high	94.7	Very high	34 Å²	34	52.4 Å²	52.4	35%	0.351	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	19.1	-177.6	0	0	0	0	0	114.3	N58 S59 I60	N58-G62 PolarHBondContact O-N 3.02Å; S59-G62 PolarHBondContact O-N 3.39Å; I60-G62 VanDerWaalsContact C-N 3.27Å; I60-G62 PolarHBondContact O-N 2.88Å
63	R	96.4	Very high	94.2	Very high	116 Å²	116	60.8 Å²	60.8	44%	0.438	32%	0.319	S	S	.	.	S	Bend	trans	-161.2	153.4	-179	56.5	177.3	-172.4	-92.8	5.8	112.5	N58 L61 V65 S83	N58-R63 WeakPolarHBondContact CA-O 3.37Å; N58-R63 WeakPolarHBondContact CB-O 2.93Å; N58-R63 PolarHBondContact O-N 3.46Å; N58-R63 VanDerWaalsContact O-N 3.12Å; L61-R63 HydrophobicContact CB-CG 4.39Å; L61-R63 PolarHBondContact O-N 3.42Å; R63-V65 HydrophobicContact CG-CG1 3.79Å; R63-V65 PolarHBondContact O-N 2.94Å; R63-V65 VanDerWaalsContact O-N 3.15Å; R63-S83 PolarHBondContact NH2-O 3.16Å
64	D	95.8	Very high	93.6	Very high	148 Å²	148	63.7 Å²	63.7	79%	0.791	34%	0.34	S	S	*	.			trans	-80.7	92.8	179.2	-69.4	-40.2	0	0	0	112.1	N58	N58-D64 PolarHBondContact ND2-OD1 2.92Å
65	V	96.6	Very high	93.1	Very high	41 Å²	41	64.6 Å²	64.6	25%	0.248	35%	0.345	C	S	.	.			trans	-119.3	-22.3	-178.6	-70.3	0	0	0	0	114	N58 L61 R63 R82	N58-V65 PolarHBondContact OD1-N 3Å; N58-V65 VanDerWaalsContact OD1-N 3.07Å; L61-V65 HydrophobicContact CB-CG2 4.45Å; L61-V65 HydrophobicContact CD1-CG2 3.42Å; L61-V65 VanDerWaalsContact CD1-CG2 3.42Å; R63-V65 HydrophobicContact CG-CG1 3.79Å; R63-V65 PolarHBondContact O-N 2.94Å; R63-V65 VanDerWaalsContact O-N 3.15Å; V65-R82 HydrophobicContact CB-CG 4.13Å; V65-R82 HydrophobicContact CG2-CB 4.09Å; V65-R82 HydrophobicContact CG2-CG 3.84Å
66	F	96.5	Very high	92.7	Very high	5 Å²	5	64.6 Å²	64.6	2%	0.022	34%	0.343	C	S	.	.	S	Bend	trans	-97.6	134.9	168.4	-55.3	-59.5	0	0	0	109.1	N58 L61 S68 Q80 R82 V93 D95	N58-F66 PolarHBondContact ND2-O 3.23Å; N58-F66 WeakPolarHBondContact OD1-CB 3.4Å; N58-F66 WeakPolarHBondContact OD1-CD2 3.32Å; N58-F66 PolarHBondContact OD1-N 3.3Å; L61-F66 HydrophobicContact CD1-CD2 4.31Å; L61-F66 HydrophobicContact CD1-CE2 3.52Å; L61-F66 HydrophobicContact CD1-CZ 3.96Å; F66-S68 PolarHBondContact O-N 3.23Å; F66-Q80 HydrophobicContact CD1-CB 4.15Å; F66-Q80 HydrophobicContact CE1-CB 3.82Å; F66-Q80 WeakPolarHBondContact CE1-O 3.37Å; F66-R82 HydrophobicContact CD1-CG 4.38Å; F66-R82 HydrophobicContact CE1-CB 4.21Å; F66-R82 HydrophobicContact CE1-CG 3.61Å; F66-R82 HydrophobicContact CZ-CB 3.86Å; F66-R82 HydrophobicContact CZ-CG 3.78Å; F66-V93 HydrophobicContact CE2-CB 4.37Å; F66-V93 HydrophobicContact CE2-CG1 3.97Å; F66-V93 HydrophobicContact CZ-CB 4.45Å; F66-V93 HydrophobicContact CZ-CG1 4.29Å; F66-D95 HydrophobicContact CD1-CB 3.65Å; F66-D95 HydrophobicContact CD2-CB 4.11Å; F66-D95 HydrophobicContact CE1-CB 3.6Å; F66-D95 HydrophobicContact CE2-CB 4.05Å; F66-D95 HydrophobicContact CG-CB 3.91Å; F66-D95 HydrophobicContact CZ-CB 3.8Å
67	E	94.5	Very high	92.2	Very high	105 Å²	105	73.1 Å²	73.1	49%	0.491	38%	0.38	S	S	.	.			trans	-67.4	107.8	177.1	-168.9	-175.7	175.2	0	0	109.6	K69 V75	E67-K69 WeakPolarHBondContact OE1-CE 3.26Å; E67-K69 IonicContact OE1-NZ 3.61Å; E67-K69 PolarHBondContact OE1-NZ 3.23Å; E67-V75 HydrophobicContact CB-CG1 3.96Å; E67-V75 VanDerWaalsContact CD-CG1 3.48Å; E67-V75 HydrophobicContact CG-CG1 3.65Å
68	S	92.3	Very high	91.9	Very high	66 Å²	66	76.5 Å²	76.5	46%	0.462	40%	0.401	S	S	.	.			trans	-120.3	107.9	179	177.8	0	0	0	0	109.8	A55 F66	A55-S68 WeakPolarHBondContact CB-OG 3.34Å; F66-S68 PolarHBondContact O-N 3.23Å
69	K	90	Very high	91.8	Very high	122 Å²	122	76.5 Å²	76.5	53%	0.53	40%	0.401	S	S	.	.			trans	-143.7	150.5	177.6	66.2	-173.4	-177.2	-162.9	0	111.4	E67 S71 V75	E67-K69 WeakPolarHBondContact OE1-CE 3.26Å; E67-K69 IonicContact OE1-NZ 3.61Å; E67-K69 PolarHBondContact OE1-NZ 3.23Å; K69-S71 PolarHBondContact O-N 3.45Å; K69-V75 HydrophobicContact CG-CG1 4.31Å; K69-V75 HydrophobicContact CG-CG2 3.8Å
70	L	84.5	Confident	91.8	Very high	175 Å²	175	78.9 Å²	78.9	92%	0.916	41%	0.412	S	S	*	.			trans	-63.7	122.2	169.6	-69.4	172.1	0	0	0	108.8
71	S	87.4	Confident	91.8	Very high	62 Å²	62	83.7 Å²	83.7	43%	0.434	43%	0.43	S	S	.	.			trans	-151.8	144.9	-176.3	173.6	0	0	0	0	109	K69 R73	K69-S71 PolarHBondContact O-N 3.45Å; S71-R73 VanDerWaalsContact CB-O 3.3Å; S71-R73 WeakPolarHBondContact CB-O 3.34Å; S71-R73 PolarHBondContact OG-N 2.75Å; S71-R73 PolarHBondContact OG-O 3.19Å
72	T	80.7	Confident	91.8	Very high	148 Å²	148	88.1 Å²	88.1	91%	0.908	45%	0.447	S	S	*	.	S	Bend	trans	-76.9	-11.5	171.2	53.8	0	0	0	0	112.4
73	R	84.6	Confident	91.8	Very high	196 Å²	196	88.6 Å²	88.6	74%	0.74	45%	0.445	S	S	*	.	S	Bend	trans	-118.5	150.5	178.6	-62.8	-177.2	-179.9	178.9	-0.5	110.7	S71 V75	S71-R73 VanDerWaalsContact CB-O 3.3Å; S71-R73 WeakPolarHBondContact CB-O 3.34Å; S71-R73 PolarHBondContact OG-N 2.75Å; S71-R73 PolarHBondContact OG-O 3.19Å; R73-V75 PolarHBondContact O-N 3.17Å
74	P	85	Confident	91.9	Very high	76 Å²	76	85.7 Å²	85.7	49%	0.494	43%	0.434	S	S	.	.			trans	-52.9	129.5	170.8	-23.6	32.8	0	0	0	111.2	T49	T49-P74 HydrophobicContact CG2-CB 4.34Å; T49-P74 HydrophobicContact CG2-CG 4.16Å
75	V	87.2	Confident	92	Very high	34 Å²	34	85.7 Å²	85.7	21%	0.206	43%	0.429	C	S	.	.	S	Bend	trans	-88.8	-50.7	179.3	-179.6	0	0	0	0	109.6	E67 K69 R73 K77	E67-V75 HydrophobicContact CB-CG1 3.96Å; E67-V75 VanDerWaalsContact CD-CG1 3.48Å; E67-V75 HydrophobicContact CG-CG1 3.65Å; K69-V75 HydrophobicContact CG-CG1 4.31Å; K69-V75 HydrophobicContact CG-CG2 3.8Å; R73-V75 PolarHBondContact O-N 3.17Å; V75-K77 PolarHBondContact O-N 3.34Å
76	T	88.4	Confident	91.9	Very high	18 Å²	18	85.6 Å²	85.6	11%	0.11	42%	0.424	C	S	.	.			trans	-70.2	112.6	174	-46.1	0	0	0	0	110.1	S54 T78 D95 P97	S54-T76 PolarHBondContact OG-OG1 3.19Å; T76-T78 WeakPolarHBondContact CG2-O 3.48Å; T76-D95 PolarHBondContact OG1-OD2 3.11Å; T76-P97 HydrophobicContact CG2-CB 4.49Å; T76-P97 WeakPolarHBondContact O-CB 3.46Å
77	K	88.7	Confident	91.8	Very high	178 Å²	178	89.1 Å²	89.1	77%	0.774	46%	0.455	S	S	*	.			trans	-100.8	-27.2	178.5	-64.1	-175.5	-178.9	-179.4	0	113.7	V75	V75-K77 PolarHBondContact O-N 3.34Å
78	T	92.4	Very high	91.8	Very high	72 Å²	72	87 Å²	87	44%	0.442	46%	0.461	S	S	.	.	S	Bend	trans	-133.6	154.2	-178.7	55.5	0	0	0	0	109.3	T76	T76-T78 WeakPolarHBondContact CG2-O 3.48Å
79	S	96.1	Very high	91.9	Very high	7 Å²	7	85.3 Å²	85.3	5%	0.049	45%	0.445	C	S	.	.			trans	-71.1	138.8	176.4	-61.9	0	0	0	0	110	D95 P97 L118	S79-D95 CarbonylContact C-O 3.6Å; S79-D95 VanDerWaalsContact CA-O 3.23Å; S79-D95 WeakPolarHBondContact CA-O 3.46Å; S79-P97 VanDerWaalsContact OG-CD 3.24Å; S79-P97 WeakPolarHBondContact OG-CD 3.35Å; S79-L118 WeakPolarHBondContact O-CD1 3.47Å
80	Q	97.1	Very high	92.3	Very high	53 Å²	53	82.5 Å²	82.5	25%	0.248	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.5	-176.4	-65.6	-176.9	63.9	0	0	110.6	F66 I94 D95	F66-Q80 HydrophobicContact CD1-CB 4.15Å; F66-Q80 HydrophobicContact CE1-CB 3.82Å; F66-Q80 WeakPolarHBondContact CE1-O 3.37Å; Q80-I94 CarbonylContact O-C 3.59Å; Q80-I94 WeakPolarHBondContact O-CA 3.15Å; Q80-D95 PolarHBondContact N-O 3.33Å; Q80-D95 PolarHBondContact O-N 2.95Å
81	R	98.1	Very high	92.9	Very high	100 Å²	100	74.4 Å²	74.4	38%	0.377	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	134.4	173.1	-174.3	172.8	67.4	-169.7	3.7	110.9	E92 V93 I94 L118	R81-E92 HydrophobicContact CG-CB 4.48Å; R81-V93 WeakPolarHBondContact CA-O 3.35Å; R81-I94 HydrophobicContact CB-CG1 4.33Å; R81-I94 HydrophobicContact CG-CG1 4.19Å; R81-L118 HydrophobicContact CB-CD2 4.25Å; R81-L118 WeakPolarHBondContact CD-O 3.44Å; R81-L118 PolarHBondContact NH1-O 2.69Å
82	R	98.2	Very high	93.4	Very high	94 Å²	94	71.7 Å²	71.7	36%	0.355	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155.1	171.3	-64.8	-66.1	-176.7	-79.4	-10	109.1	L61 V65 F66 E92 V93	L61-R82 HydrophobicContact CD1-CB 3.52Å; L61-R82 HydrophobicContact CD1-CG 4.43Å; V65-R82 HydrophobicContact CB-CG 4.13Å; V65-R82 HydrophobicContact CG2-CB 4.09Å; V65-R82 HydrophobicContact CG2-CG 3.84Å; F66-R82 HydrophobicContact CD1-CG 4.38Å; F66-R82 HydrophobicContact CE1-CB 4.21Å; F66-R82 HydrophobicContact CE1-CG 3.61Å; F66-R82 HydrophobicContact CZ-CB 3.86Å; F66-R82 HydrophobicContact CZ-CG 3.78Å; R82-E92 CarbonylContact O-C 3.58Å; R82-E92 WeakPolarHBondContact O-CA 3.41Å; R82-V93 PolarHBondContact N-O 3.31Å; R82-V93 PolarHBondContact O-N 3.25Å
83	S	98	Very high	94.3	Very high	44 Å²	44	64.7 Å²	64.7	31%	0.308	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	155.4	-178.5	62.9	0	0	0	0	113.6	R63 L91	R63-S83 PolarHBondContact NH2-O 3.16Å; S83-L91 CarbonylContact C-O 3.6Å; S83-L91 WeakPolarHBondContact CA-O 3.11Å
84	R	97.6	Very high	94.9	Very high	55 Å²	55	55.3 Å²	55.3	21%	0.208	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.7	172.2	161	174.7	174.6	-164.2	8.1	109	L61 L91 E209	L61-R84 HydrophobicContact CD2-CB 3.9Å; L61-R84 WeakPolarHBondContact O-CD 3.29Å; R84-L91 PolarHBondContact N-O 3.18Å; R84-L91 PolarHBondContact O-N 3.32Å; R84-E209 IonicContact CZ-OE1 3.95Å; R84-E209 VanDerWaalsContact CZ-OE1 3.24Å; R84-E209 IonicContact NH1-OE1 3.63Å; R84-E209 PolarHBondContact NH1-OE1 2.46Å; R84-E209 IonicContact NH2-OE1 2.7Å; R84-E209 PolarHBondContact NH2-OE1 2.96Å; R84-E209 IonicContact NH2-OE2 2.65Å
85	E	97.6	Very high	95.6	Very high	149 Å²	149	51.8 Å²	51.8	70%	0.696	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.4	164.9	-167.7	179.4	169.9	0	0	110.3	K89	E85-K89 CarbonylContact C-O 3.52Å; E85-K89 WeakPolarHBondContact CA-O 3.41Å
86	W	96	Very high	96	Very high	38 Å²	38	50.2 Å²	50.2	14%	0.144	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	124.5	178.5	-173.4	88.9	0	0	0	109.8	G88 K89 E209 L212 R213 M216	W86-G88 PolarHBondContact O-N 3.31Å; W86-K89 PolarHBondContact N-O 2.98Å; W86-K89 PolarHBondContact O-N 2.85Å; W86-E209 PolarHBondContact NE1-OE2 3.23Å; W86-L212 VanDerWaalsContact CD1-CD2 3.41Å; W86-L212 HydrophobicContact CD2-CD2 4.2Å; W86-L212 HydrophobicContact CD2-CG 4.49Å; W86-L212 HydrophobicContact CG-CD2 3.95Å; W86-L212 HydrophobicContact CZ2-CG 4.26Å; W86-L212 VanDerWaalsContact NE1-CD2 3.34Å; W86-R213 HydrophobicContact CZ2-CB 4.43Å; W86-M216 HydrophobicContact CE3-CG 4.12Å; W86-M216 HydrophobicContact CH2-CB 3.95Å; W86-M216 HydrophobicContact CH2-CG 3.77Å; W86-M216 HydrophobicContact CZ2-CG 4.38Å; W86-M216 HydrophobicContact CZ3-CB 3.98Å; W86-M216 HydrophobicContact CZ3-CG 3.63Å
87	A	93.8	Very high	96.2	Very high	80 Å²	80	49.9 Å²	49.9	66%	0.661	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.6	41.5	-178.1	0	0	0	0	0	114.3	K89	A87-K89 PolarHBondContact O-N 2.96Å
88	G	94.3	Very high	96.3	Very high	61 Å²	61	43 Å²	43	63%	0.629	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	8.2	-178.7	0	0	0	0	0	115.2	W86	W86-G88 PolarHBondContact O-N 3.31Å
89	K	94.6	Very high	96.3	Very high	29 Å²	29	39.7 Å²	39.7	13%	0.126	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	148.5	173.8	-58.2	-179.2	-176	174.5	0	110.1	R39 L41 E85 W86 A87 E220	R39-K89 CarbonylContact O-C 3.58Å; R39-K89 WeakPolarHBondContact O-CA 3.37Å; L41-K89 HydrophobicContact CD1-CD 3.77Å; L41-K89 HydrophobicContact CG-CD 4.48Å; E85-K89 CarbonylContact C-O 3.52Å; E85-K89 WeakPolarHBondContact CA-O 3.41Å; W86-K89 PolarHBondContact N-O 2.98Å; W86-K89 PolarHBondContact O-N 2.85Å; A87-K89 PolarHBondContact O-N 2.96Å; K89-E220 IonicContact NZ-OE1 3.67Å; K89-E220 PolarHBondContact NZ-OE1 2.97Å
90	E	97.3	Very high	96.1	Very high	64 Å²	64	39.4 Å²	39.4	30%	0.299	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	110	169.5	-177.4	179.3	-163	0	0	109.2	R39 R40 L41	R39-E90 PolarHBondContact O-N 3.14Å; R40-E90 CarbonylContact C-O 3.55Å; R40-E90 VanDerWaalsContact CA-O 3.28Å; R40-E90 WeakPolarHBondContact CA-O 3.44Å; R40-E90 HydrophobicContact CB-CB 4.41Å; R40-E90 HydrophobicContact CG-CB 4.45Å; R40-E90 HydrophobicContact CG-CG 4.46Å; R40-E90 IonicContact CZ-OE1 3.51Å; R40-E90 IonicContact CZ-OE2 2.68Å; R40-E90 IonicContact NE-OE1 2.65Å; R40-E90 IonicContact NE-OE2 3.75Å; R40-E90 PolarHBondContact NE-OE2 3.38Å; R40-E90 IonicContact NH2-OE1 2.86Å; R40-E90 IonicContact NH2-OE2 3.34Å; R40-E90 PolarHBondContact NH2-OE2 3.09Å; L41-E90 PolarHBondContact N-O 3.35Å
91	L	97.9	Very high	95.7	Very high	4 Å²	4	38 Å²	38	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	108.8	177.2	-169.1	61.7	0	0	0	110	L41 L43 I60 S83 R84 V93 L212 M216	L41-L91 HydrophobicContact CB-CD1 3.79Å; L43-L91 HydrophobicContact CD1-CD1 3.62Å; L43-L91 HydrophobicContact CD1-CD2 4.27Å; L43-L91 HydrophobicContact CD1-CG 4.2Å; L43-L91 HydrophobicContact CG-CD1 3.8Å; I60-L91 HydrophobicContact CG2-CD2 3.34Å; I60-L91 HydrophobicContact CG2-CG 4.24Å; S83-L91 CarbonylContact C-O 3.6Å; S83-L91 WeakPolarHBondContact CA-O 3.11Å; R84-L91 PolarHBondContact N-O 3.18Å; R84-L91 PolarHBondContact O-N 3.32Å; L91-V93 HydrophobicContact CG-CG2 4.5Å; L91-L212 HydrophobicContact CD2-CD1 4.08Å; L91-M216 HydrophobicContact CD1-CE 4.22Å; L91-M216 HydrophobicContact CD1-SD 4.21Å; L91-M216 HydrophobicContact CD2-SD 4.35Å
92	E	98.4	Very high	94.9	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.028	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	128.3	171.1	-65.6	-175.4	165.4	0	0	110.1	R40 L41 R42 L43 R81 R82	R40-E92 VanDerWaalsContact CD-CD 3.47Å; R40-E92 VanDerWaalsContact CD-OE1 3.26Å; R40-E92 WeakPolarHBondContact CD-OE1 3.49Å; R40-E92 HydrophobicContact CG-CG 4.11Å; R40-E92 IonicContact CZ-OE1 3.96Å; R40-E92 IonicContact NE-OE1 2.68Å; R40-E92 PolarHBondContact NE-OE1 2.94Å; R40-E92 IonicContact NH1-OE1 3.53Å; R40-E92 PolarHBondContact NH1-OE1 2.91Å; L41-E92 WeakPolarHBondContact O-CB 3.45Å; L41-E92 PolarHBondContact O-N 3.05Å; R42-E92 WeakPolarHBondContact CA-O 3.49Å; R42-E92 HydrophobicContact CG-CB 4.14Å; R42-E92 VanDerWaalsContact CG-OE2 3.28Å; R42-E92 WeakPolarHBondContact CG-OE2 3.44Å; L43-E92 PolarHBondContact N-O 3.4Å; R81-E92 HydrophobicContact CG-CB 4.48Å; R82-E92 CarbonylContact O-C 3.58Å; R82-E92 WeakPolarHBondContact O-CA 3.41Å
93	V	98.7	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	127	174.6	-176.7	0	0	0	0	108.8	L43 L45 I60 L61 F66 R81 R82 L91	L43-V93 CarbonylContact O-C 3.13Å; L43-V93 WeakPolarHBondContact O-CA 3.44Å; L45-V93 HydrophobicContact CD1-CG1 3.67Å; L45-V93 HydrophobicContact CD2-CG1 4.27Å; L45-V93 HydrophobicContact CG-CG1 3.88Å; I60-V93 HydrophobicContact CB-CG2 4.28Å; I60-V93 HydrophobicContact CG2-CG2 3.57Å; L61-V93 HydrophobicContact CD1-CB 4.18Å; L61-V93 HydrophobicContact CD1-CG2 4.42Å; L61-V93 HydrophobicContact CD2-CB 4.26Å; L61-V93 HydrophobicContact CD2-CG2 3.8Å; L61-V93 HydrophobicContact CG-CB 4.24Å; L61-V93 HydrophobicContact CG-CG2 3.92Å; F66-V93 HydrophobicContact CE2-CB 4.37Å; F66-V93 HydrophobicContact CE2-CG1 3.97Å; F66-V93 HydrophobicContact CZ-CB 4.45Å; F66-V93 HydrophobicContact CZ-CG1 4.29Å; R81-V93 WeakPolarHBondContact CA-O 3.35Å; R82-V93 PolarHBondContact N-O 3.31Å; R82-V93 PolarHBondContact O-N 3.25Å; L91-V93 HydrophobicContact CG-CG2 4.5Å
94	I	98.6	Very high	93	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	104.9	176.4	-57.3	85	0	0	0	107.6	R42 L43 I44 L45 Q80 R81 T96 L118	R42-I94 HydrophobicContact CB-CD1 4.41Å; L43-I94 WeakPolarHBondContact O-CD1 3.43Å; L43-I94 PolarHBondContact O-N 3.3Å; I44-I94 HydrophobicContact CB-CB 4.32Å; I44-I94 HydrophobicContact CD1-CG2 4.23Å; I44-I94 HydrophobicContact CG1-CB 4.05Å; I44-I94 HydrophobicContact CG1-CG2 4.15Å; L45-I94 PolarHBondContact N-O 3.02Å; Q80-I94 CarbonylContact O-C 3.59Å; Q80-I94 WeakPolarHBondContact O-CA 3.15Å; R81-I94 HydrophobicContact CB-CG1 4.33Å; R81-I94 HydrophobicContact CG-CG1 4.19Å; I94-T96 HydrophobicContact CG2-CG2 4.27Å; I94-L118 HydrophobicContact CG1-CB 4.41Å; I94-L118 HydrophobicContact CG2-CB 4.18Å; I94-L118 HydrophobicContact CG2-CD1 4.5Å
95	D	98.3	Very high	92.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	136.2	169.6	-170.1	31.1	0	0	0	109.4	L45 S54 F66 T76 S79 Q80	L45-D95 HydrophobicContact CD1-CB 4.12Å; S54-D95 WeakPolarHBondContact CB-OD2 3.43Å; S54-D95 PolarHBondContact OG-OD2 3.32Å; F66-D95 HydrophobicContact CD1-CB 3.65Å; F66-D95 HydrophobicContact CD2-CB 4.11Å; F66-D95 HydrophobicContact CE1-CB 3.6Å; F66-D95 HydrophobicContact CE2-CB 4.05Å; F66-D95 HydrophobicContact CG-CB 3.91Å; F66-D95 HydrophobicContact CZ-CB 3.8Å; T76-D95 PolarHBondContact OG1-OD2 3.11Å; S79-D95 CarbonylContact C-O 3.6Å; S79-D95 VanDerWaalsContact CA-O 3.23Å; S79-D95 WeakPolarHBondContact CA-O 3.46Å; Q80-D95 PolarHBondContact N-O 3.33Å; Q80-D95 PolarHBondContact O-N 2.95Å
96	T	95.9	Very high	92.1	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.006	24%	0.237	C	C	.	.			trans	-120.3	148.2	-175.5	68	0	0	0	0	111.1	I44 L45 M46 K53 I94 I99 A115	I44-T96 HydrophobicContact CD1-CG2 3.91Å; I44-T96 HydrophobicContact CG1-CG2 3.75Å; L45-T96 WeakPolarHBondContact O-CG2 3.41Å; L45-T96 PolarHBondContact O-OG1 3.47Å; M46-T96 HydrophobicContact SD-CG2 4.34Å; K53-T96 WeakPolarHBondContact CE-O 3.35Å; I94-T96 HydrophobicContact CG2-CG2 4.27Å; T96-I99 HydrophobicContact CG2-CD1 4.39Å; T96-A115 HydrophobicContact CG2-CB 4.09Å
97	P	93.8	Very high	91.8	Very high	12 Å²	12	42.9 Å²	42.9	8%	0.078	26%	0.26	C	S	.	.			trans	-66.7	-176.7	165.2	30.8	-31.8	0	0	0	109.8	T76 S79 I99 A111	T76-P97 HydrophobicContact CG2-CB 4.49Å; T76-P97 WeakPolarHBondContact O-CB 3.46Å; S79-P97 VanDerWaalsContact OG-CD 3.24Å; S79-P97 WeakPolarHBondContact OG-CD 3.35Å; P97-I99 HydrophobicContact CG-CG2 3.75Å; P97-I99 PolarHBondContact O-N 3.38Å; P97-A111 HydrophobicContact CG-CB 3.77Å
98	N	90.7	Very high	91.7	Very high	34 Å²	34	40.2 Å²	40.2	18%	0.182	24%	0.235	C	C	.	.	S	Bend	trans	-75.1	63.7	-179.4	-166.2	23.1	0	0	0	112.8	T49 L100 S101	T49-N98 WeakPolarHBondContact OG1-CB 3.35Å; T49-N98 PolarHBondContact OG1-ND2 2.9Å; N98-L100 PolarHBondContact O-N 3.02Å; N98-S101 WeakPolarHBondContact O-CB 3.44Å; N98-S101 PolarHBondContact O-N 2.91Å
99	I	92.3	Very high	91.6	Very high	2 Å²	2	39 Å²	39	1%	0.01	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-18.2	-177.1	62.1	167.9	0	0	0	113.4	M46 T96 P97 S101 V108 A111 I112 A115	M46-I99 HydrophobicContact CE-CD1 3.73Å; M46-I99 HydrophobicContact SD-CD1 3.67Å; M46-I99 HydrophobicContact SD-CG1 4.03Å; T96-I99 HydrophobicContact CG2-CD1 4.39Å; P97-I99 HydrophobicContact CG-CG2 3.75Å; P97-I99 PolarHBondContact O-N 3.38Å; I99-S101 VanDerWaalsContact C-N 3.31Å; I99-V108 WeakPolarHBondContact O-CG1 3.16Å; I99-A111 HydrophobicContact CG2-CB 3.55Å; I99-I112 HydrophobicContact CB-CG1 3.82Å; I99-I112 HydrophobicContact CD1-CG1 4.22Å; I99-I112 HydrophobicContact CG2-CG1 4.35Å; I99-A115 HydrophobicContact CD1-CB 4.16Å
100	L	91.9	Very high	91.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	17.8	178.3	-56.2	-177	0	0	0	112.6	M46 N98 V142 R145 L146 V149 F150	M46-L100 HydrophobicContact CB-CD1 3.82Å; M46-L100 HydrophobicContact CG-CD1 4.23Å; M46-L100 HydrophobicContact SD-CD1 4.1Å; M46-L100 HydrophobicContact SD-CG 4.33Å; N98-L100 PolarHBondContact O-N 3.02Å; L100-V142 HydrophobicContact CB-CB 4.42Å; L100-V142 HydrophobicContact CB-CG1 3.91Å; L100-V142 HydrophobicContact CB-CG2 4.31Å; L100-V142 HydrophobicContact CD1-CG1 3.65Å; L100-V142 HydrophobicContact CG-CG1 4.45Å; L100-R145 HydrophobicContact CB-CB 4.06Å; L100-R145 HydrophobicContact CD2-CB 4.3Å; L100-R145 WeakPolarHBondContact O-CB 3.31Å; L100-R145 WeakPolarHBondContact O-CG 3.4Å; L100-L146 HydrophobicContact CD1-CB 3.98Å; L100-L146 HydrophobicContact CD1-CD1 3.9Å; L100-L146 HydrophobicContact CD1-CG 4.49Å; L100-L146 HydrophobicContact CD2-CB 4.49Å; L100-L146 HydrophobicContact CD2-CD1 4.47Å; L100-V149 HydrophobicContact CD2-CG2 4.3Å; L100-F150 HydrophobicContact CD2-CE2 4.43Å
101	S	88	Confident	91.4	Very high	22 Å²	22	39.9 Å²	39.9	15%	0.154	23%	0.229	C	C	.	.			trans	-60.8	143.6	168.2	179.8	0	0	0	0	110.2	N98 I99 Q103 R145	N98-S101 WeakPolarHBondContact O-CB 3.44Å; N98-S101 PolarHBondContact O-N 2.91Å; I99-S101 VanDerWaalsContact C-N 3.31Å; S101-Q103 PolarHBondContact O-N 3.05Å; S101-Q103 PolarHBondContact OG-N 3.33Å; S101-R145 PolarHBondContact O-NE 2.87Å
102	P	81.3	Confident	91.3	Very high	74 Å²	74	39.8 Å²	39.8	48%	0.481	23%	0.229	S	C	.	.	S	Bend	trans	-66	-17.5	171	23.2	-30.3	0	0	0	113.2	V104 Q141	P102-V104 PolarHBondContact O-N 2.84Å; P102-Q141 HydrophobicContact CB-CG 3.71Å; P102-Q141 HydrophobicContact CG-CG 3.79Å
103	Q	79.8	Confident	91.2	Very high	150 Å²	150	40 Å²	40	70%	0.701	23%	0.23	S	C	*	.			trans	-74.5	116.9	173.9	-62.7	-165.5	25.5	0	0	110.2	S101	S101-Q103 PolarHBondContact O-N 3.05Å; S101-Q103 PolarHBondContact OG-N 3.33Å
104	V	77.4	Confident	91.1	Very high	98 Å²	98	43.5 Å²	43.5	59%	0.594	25%	0.247	S	C	*	.			trans	-89.9	111	173.3	-176.7	0	0	0	0	108.1	P102	P102-V104 PolarHBondContact O-N 2.84Å
105	S	87.5	Confident	91	Very high	36 Å²	36	43.5 Å²	43.5	25%	0.252	25%	0.247	S	C	.	.			trans	-130	159.4	173.1	85	0	0	0	0	110.5	E107 V108 A109	S105-E107 WeakPolarHBondContact CB-OE2 3.5Å; S105-E107 PolarHBondContact O-N 3.42Å; S105-E107 PolarHBondContact OG-N 2.83Å; S105-E107 PolarHBondContact OG-OE2 3.42Å; S105-V108 WeakPolarHBondContact O-CB 3.42Å; S105-V108 PolarHBondContact O-N 2.8Å; S105-V108 PolarHBondContact OG-N 3.44Å; S105-A109 PolarHBondContact O-N 3.46Å
106	P	88.7	Confident	91	Very high	93 Å²	93	43.5 Å²	43.5	60%	0.604	25%	0.247	S	C	*	.	H	α-helix	trans	-53.6	-39.8	174.7	-26	35.6	0	0	0	112.5	V108 A109 D110	P106-V108 VanDerWaalsContact C-N 3.3Å; P106-V108 PolarHBondContact O-N 3.37Å; P106-A109 WeakPolarHBondContact O-CB 3.29Å; P106-A109 PolarHBondContact O-N 3.03Å; P106-A109 VanDerWaalsContact O-N 3.15Å; P106-D110 PolarHBondContact O-N 3.47Å
107	E	89.4	Confident	91	Very high	133 Å²	133	44.9 Å²	44.9	62%	0.621	26%	0.255	S	S	*	.	H	α-helix	trans	-64.8	-34.1	178.9	-55.6	80.1	-174.4	0	0	112.4	S105 A111	S105-E107 WeakPolarHBondContact CB-OE2 3.5Å; S105-E107 PolarHBondContact O-N 3.42Å; S105-E107 PolarHBondContact OG-N 2.83Å; S105-E107 PolarHBondContact OG-OE2 3.42Å; E107-A111 VanDerWaalsContact O-CB 3.31Å; E107-A111 WeakPolarHBondContact O-CB 3.47Å; E107-A111 PolarHBondContact O-N 2.95Å
108	V	91.6	Very high	91.2	Very high	23 Å²	23	46.1 Å²	46.1	14%	0.139	26%	0.261	C	S	.	.	H	α-helix	trans	-69.6	-42.1	174.3	172.6	0	0	0	0	110.5	I99 S105 P106 A111 I112	I99-V108 WeakPolarHBondContact O-CG1 3.16Å; S105-V108 WeakPolarHBondContact O-CB 3.42Å; S105-V108 PolarHBondContact O-N 2.8Å; S105-V108 PolarHBondContact OG-N 3.44Å; P106-V108 VanDerWaalsContact C-N 3.3Å; P106-V108 PolarHBondContact O-N 3.37Å; V108-A111 PolarHBondContact O-N 2.88Å; V108-I112 HydrophobicContact CG1-CD1 4.05Å; V108-I112 VanDerWaalsContact O-CG1 3.3Å; V108-I112 WeakPolarHBondContact O-CG1 3.36Å; V108-I112 PolarHBondContact O-N 3.47Å
109	A	92.6	Very high	91.5	Very high	36 Å²	36	44.5 Å²	44.5	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-61.5	-45.9	176.8	0	0	0	0	0	111.6	S105 P106 A111 I112 C113	S105-A109 PolarHBondContact O-N 3.46Å; P106-A109 WeakPolarHBondContact O-CB 3.29Å; P106-A109 PolarHBondContact O-N 3.03Å; P106-A109 VanDerWaalsContact O-N 3.15Å; A109-A111 VanDerWaalsContact C-N 3.31Å; A109-A111 PolarHBondContact O-N 3.29Å; A109-I112 WeakPolarHBondContact O-CB 3.47Å; A109-I112 PolarHBondContact O-N 3.44Å; A109-C113 PolarHBondContact O-N 3.47Å; A109-C113 PolarHBondContact O-SG 2.97Å
110	D	93	Very high	91.7	Very high	101 Å²	101	45 Å²	45	54%	0.54	26%	0.257	S	S	.	.	H	α-helix	trans	-61.2	-40.7	176.2	-71.1	-14.3	0	0	0	111.7	P106 C113 Q114	P106-D110 PolarHBondContact O-N 3.47Å; D110-C113 PolarHBondContact O-N 3.33Å; D110-Q114 WeakPolarHBondContact O-CB 3.42Å; D110-Q114 PolarHBondContact O-N 3.43Å
111	A	94.1	Very high	92	Very high	11 Å²	11	46.4 Å²	46.4	9%	0.091	27%	0.266	C	S	.	.	H	α-helix	trans	-67	-34.5	177.1	0	0	0	0	0	113	P97 I99 E107 V108 A109 A115	P97-A111 HydrophobicContact CG-CB 3.77Å; I99-A111 HydrophobicContact CG2-CB 3.55Å; E107-A111 VanDerWaalsContact O-CB 3.31Å; E107-A111 WeakPolarHBondContact O-CB 3.47Å; E107-A111 PolarHBondContact O-N 2.95Å; V108-A111 PolarHBondContact O-N 2.88Å; A109-A111 VanDerWaalsContact C-N 3.31Å; A109-A111 PolarHBondContact O-N 3.29Å; A111-A115 WeakPolarHBondContact O-CB 3.43Å; A111-A115 PolarHBondContact O-N 2.99Å
112	I	95.7	Very high	92.4	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-50	171.5	-68.9	165	0	0	0	109.8	I99 V108 A109 Q114 A115 I116 V149 Q276	I99-I112 HydrophobicContact CB-CG1 3.82Å; I99-I112 HydrophobicContact CD1-CG1 4.22Å; I99-I112 HydrophobicContact CG2-CG1 4.35Å; V108-I112 HydrophobicContact CG1-CD1 4.05Å; V108-I112 VanDerWaalsContact O-CG1 3.3Å; V108-I112 WeakPolarHBondContact O-CG1 3.36Å; V108-I112 PolarHBondContact O-N 3.47Å; A109-I112 WeakPolarHBondContact O-CB 3.47Å; A109-I112 PolarHBondContact O-N 3.44Å; I112-Q114 VanDerWaalsContact C-N 3.32Å; I112-Q114 PolarHBondContact O-N 3.47Å; I112-A115 WeakPolarHBondContact O-CB 3.35Å; I112-A115 PolarHBondContact O-N 3.3Å; I112-A115 VanDerWaalsContact O-N 3.1Å; I112-I116 HydrophobicContact CG2-CD1 3.91Å; I112-I116 WeakPolarHBondContact O-CG1 3.28Å; I112-I116 PolarHBondContact O-N 2.93Å; I112-V149 HydrophobicContact CD1-CG1 4Å; I112-V149 HydrophobicContact CD1-CG2 3.91Å; I112-V149 HydrophobicContact CG1-CG1 4.23Å; I112-V149 HydrophobicContact CG2-CG1 3.64Å; I112-Q276 HydrophobicContact CG2-CG 3.87Å
113	C	96	Very high	93.2	Very high	9 Å²	9	41.9 Å²	41.9	6%	0.061	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-45.6	177.2	-71.1	0	0	0	0	111.2	A109 D110 A115 I116 V117 L272	A109-C113 PolarHBondContact O-N 3.47Å; A109-C113 PolarHBondContact O-SG 2.97Å; D110-C113 PolarHBondContact O-N 3.33Å; C113-A115 VanDerWaalsContact C-N 3.31Å; C113-A115 PolarHBondContact O-N 2.92Å; C113-I116 PolarHBondContact O-N 3.35Å; C113-V117 VanDerWaalsContact O-CG2 3.29Å; C113-V117 WeakPolarHBondContact O-CG2 3.33Å; C113-V117 PolarHBondContact O-N 3.29Å; C113-L272 HydrophobicContact CB-CD2 4.01Å; C113-L272 HydrophobicContact CB-CG 4.41Å
114	Q	96.3	Very high	94.1	Very high	75 Å²	75	34.9 Å²	34.9	35%	0.35	20%	0.203	S	C	.	.	H	α-helix	trans	-59.9	-41.2	175.7	-172	-178.6	57.5	0	0	112	D110 I112 V117 L118	D110-Q114 WeakPolarHBondContact O-CB 3.42Å; D110-Q114 PolarHBondContact O-N 3.43Å; I112-Q114 VanDerWaalsContact C-N 3.32Å; I112-Q114 PolarHBondContact O-N 3.47Å; Q114-V117 PolarHBondContact O-N 3.29Å; Q114-L118 HydrophobicContact CG-CD1 4.14Å; Q114-L118 WeakPolarHBondContact O-CB 3.49Å; Q114-L118 VanDerWaalsContact O-CG 3.29Å; Q114-L118 WeakPolarHBondContact O-CG 3.48Å; Q114-L118 PolarHBondContact O-N 2.99Å
115	A	97.1	Very high	95.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-41.4	176.6	0	0	0	0	0	111.9	I44 T96 I99 A111 I112 C113 L118 S119	I44-A115 HydrophobicContact CD1-CB 4.1Å; T96-A115 HydrophobicContact CG2-CB 4.09Å; I99-A115 HydrophobicContact CD1-CB 4.16Å; A111-A115 WeakPolarHBondContact O-CB 3.43Å; A111-A115 PolarHBondContact O-N 2.99Å; I112-A115 WeakPolarHBondContact O-CB 3.35Å; I112-A115 PolarHBondContact O-N 3.3Å; I112-A115 VanDerWaalsContact O-N 3.1Å; C113-A115 VanDerWaalsContact C-N 3.31Å; C113-A115 PolarHBondContact O-N 2.92Å; A115-L118 PolarHBondContact O-N 3.35Å; A115-S119 WeakPolarHBondContact O-CB 3.5Å; A115-S119 PolarHBondContact O-N 3.48Å; A115-S119 PolarHBondContact O-OG 3.27Å
116	I	97.7	Very high	95.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-48.9	175	-68.6	166.2	0	0	0	110.4	I112 C113 L118 S119 A120 F150 A235 Y236 L272 Q276	I112-I116 HydrophobicContact CG2-CD1 3.91Å; I112-I116 WeakPolarHBondContact O-CG1 3.28Å; I112-I116 PolarHBondContact O-N 2.93Å; C113-I116 PolarHBondContact O-N 3.35Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-L118 PolarHBondContact O-N 3.5Å; I116-S119 CarbonylContact O-C 3.48Å; I116-S119 PolarHBondContact O-N 3.38Å; I116-S119 PolarHBondContact O-OG 3.41Å; I116-A120 WeakPolarHBondContact O-CB 3.36Å; I116-A120 PolarHBondContact O-N 3.21Å; I116-F150 HydrophobicContact CG1-CE1 4.09Å; I116-A235 HydrophobicContact CD1-CB 3.89Å; I116-A235 HydrophobicContact CG2-CB 4.39Å; I116-Y236 HydrophobicContact CB-CE1 4.26Å; I116-Y236 HydrophobicContact CG1-CE2 4.37Å; I116-Y236 HydrophobicContact CG2-CD1 3.8Å; I116-Y236 HydrophobicContact CG2-CE1 3.82Å; I116-Y236 HydrophobicContact CG2-CG 4.21Å; I116-Y236 WeakPolarHBondContact O-CE1 3.49Å; I116-L272 HydrophobicContact CG2-CD1 4.31Å; I116-Q276 HydrophobicContact CD1-CG 4.28Å; I116-Q276 VanDerWaalsContact CD1-OE1 3.26Å
117	V	97	Very high	96.1	Very high	31 Å²	31	24.2 Å²	24.2	19%	0.188	14%	0.135	C	C	.	.	H	α-helix	trans	-57.9	-44.3	178.2	172.2	0	0	0	0	111.7	C113 Q114 S119 T239 F243 W268 L269 L272	C113-V117 VanDerWaalsContact O-CG2 3.29Å; C113-V117 WeakPolarHBondContact O-CG2 3.33Å; C113-V117 PolarHBondContact O-N 3.29Å; Q114-V117 PolarHBondContact O-N 3.29Å; V117-S119 PolarHBondContact O-N 2.89Å; V117-T239 HydrophobicContact CG2-CG2 4.26Å; V117-F243 HydrophobicContact CG1-CE1 4.39Å; V117-F243 HydrophobicContact CG1-CZ 3.84Å; V117-W268 HydrophobicContact CG1-CH2 4.35Å; V117-W268 HydrophobicContact CG2-CH2 3.73Å; V117-W268 HydrophobicContact CG2-CZ3 4.09Å; V117-L269 HydrophobicContact CG2-CD2 4.32Å; V117-L272 HydrophobicContact CG2-CD2 3.64Å
118	L	97.4	Very high	96.5	Very high	38 Å²	38	18.1 Å²	18.1	20%	0.199	11%	0.107	C	C	.	.	H	α-helix	trans	-72	-27.7	-179.4	-71.5	175.4	0	0	0	113.9	S79 R81 I94 Q114 A115 I116	S79-L118 WeakPolarHBondContact O-CD1 3.47Å; R81-L118 HydrophobicContact CB-CD2 4.25Å; R81-L118 WeakPolarHBondContact CD-O 3.44Å; R81-L118 PolarHBondContact NH1-O 2.69Å; I94-L118 HydrophobicContact CG1-CB 4.41Å; I94-L118 HydrophobicContact CG2-CB 4.18Å; I94-L118 HydrophobicContact CG2-CD1 4.5Å; Q114-L118 HydrophobicContact CG-CD1 4.14Å; Q114-L118 WeakPolarHBondContact O-CB 3.49Å; Q114-L118 VanDerWaalsContact O-CG 3.29Å; Q114-L118 WeakPolarHBondContact O-CG 3.48Å; Q114-L118 PolarHBondContact O-N 2.99Å; A115-L118 PolarHBondContact O-N 3.35Å; I116-L118 VanDerWaalsContact C-N 3.33Å; I116-L118 PolarHBondContact O-N 3.5Å
119	S	97.4	Very high	96.9	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-99.8	-2.3	-178.7	57.4	0	0	0	0	113.8	R42 A115 I116 V117 G122 Y236	R42-S119 WeakPolarHBondContact CD-O 3.4Å; R42-S119 PolarHBondContact NE-O 3.03Å; A115-S119 WeakPolarHBondContact O-CB 3.5Å; A115-S119 PolarHBondContact O-N 3.48Å; A115-S119 PolarHBondContact O-OG 3.27Å; I116-S119 CarbonylContact O-C 3.48Å; I116-S119 PolarHBondContact O-N 3.38Å; I116-S119 PolarHBondContact O-OG 3.41Å; V117-S119 PolarHBondContact O-N 2.89Å; S119-G122 CarbonylContact O-C 3.59Å; S119-G122 VanDerWaalsContact O-CA 3.26Å; S119-G122 WeakPolarHBondContact O-CA 3.27Å; S119-G122 PolarHBondContact O-N 3.02Å; S119-Y236 VanDerWaalsContact OG-CE1 3.31Å; S119-Y236 WeakPolarHBondContact OG-CE1 3.34Å; S119-Y236 PolarHBondContact OG-OH 3.37Å
120	A	96.9	Very high	97.1	Very high	12 Å²	12	15.4 Å²	15.4	10%	0.099	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	142.8	177.3	0	0	0	0	0	111.9	I116 G122 Y236 T239 F243	I116-A120 WeakPolarHBondContact O-CB 3.36Å; I116-A120 PolarHBondContact O-N 3.21Å; A120-G122 VanDerWaalsContact CA-N 3.32Å; A120-Y236 HydrophobicContact CB-CD1 4.39Å; A120-T239 HydrophobicContact CB-CG2 3.68Å; A120-F243 HydrophobicContact CB-CD2 4.35Å; A120-F243 HydrophobicContact CB-CE2 3.8Å
121	P	96.4	Very high	97.3	Very high	30 Å²	30	11.6 Å²	11.6	20%	0.195	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	cis	-77.8	1.3	6.9	35.5	-41	0	0	0	115.2	Y230 Y236 Q240	P121-Y230 HydrophobicContact CB-CD2 4.4Å; P121-Y230 HydrophobicContact CB-CE1 4.45Å; P121-Y230 HydrophobicContact CB-CE2 3.59Å; P121-Y230 HydrophobicContact CG-CD1 4.25Å; P121-Y230 HydrophobicContact CG-CD2 4.22Å; P121-Y230 HydrophobicContact CG-CE1 3.73Å; P121-Y230 HydrophobicContact CG-CE2 3.68Å; P121-Y230 HydrophobicContact CG-CG 4.48Å; P121-Y230 VanDerWaalsContact CG-CZ 3.41Å; P121-Y230 VanDerWaalsContact O-CE2 3.29Å; P121-Y230 WeakPolarHBondContact O-CE2 3.23Å; P121-Y236 WeakPolarHBondContact O-CB 3.12Å; P121-Q240 HydrophobicContact CB-CB 4.48Å; P121-Q240 HydrophobicContact CB-CG 4.32Å
122	G	97.6	Very high	97.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.063	C	C	.	.			trans	153.7	147.6	-179.4	0	0	0	0	0	111.7	R42 S119 A120 Y230 Y231	R42-G122 VanDerWaalsContact CZ-O 3.23Å; R42-G122 PolarHBondContact NE-O 3.42Å; R42-G122 PolarHBondContact NH2-O 3.48Å; S119-G122 CarbonylContact O-C 3.59Å; S119-G122 VanDerWaalsContact O-CA 3.26Å; S119-G122 WeakPolarHBondContact O-CA 3.27Å; S119-G122 PolarHBondContact O-N 3.02Å; A120-G122 VanDerWaalsContact CA-N 3.32Å; G122-Y230 WeakPolarHBondContact O-CB 3.35Å; G122-Y231 WeakPolarHBondContact CA-O 3.37Å
123	P	98.1	Very high	97.4	Very high	1 Å²	1	14 Å²	14	1%	0.006	9%	0.09	C	C	.	.			trans	-70	144.5	174.9	30	-35.1	0	0	0	111.2	R42 I44 V126 Y230 Y231 Y236	R42-P123 CarbonylContact O-C 3.6Å; I44-P123 HydrophobicContact CB-CB 4.27Å; I44-P123 HydrophobicContact CG2-CB 3.66Å; I44-P123 HydrophobicContact CG2-CG 3.87Å; P123-V126 HydrophobicContact CG-CG2 4.1Å; P123-Y230 WeakPolarHBondContact O-CB 3.48Å; P123-Y231 HydrophobicContact CG-CD1 4.1Å; P123-Y231 PolarHBondContact O-N 2.85Å; P123-Y236 WeakPolarHBondContact CD-OH 3.26Å
124	H	97.8	Very high	97.3	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.019	11%	0.113	C	C	.	.	S	Bend	trans	-77.2	-33.7	170	-61.5	87.9	0	0	0	110.7	R40 L41 R42 H157	R40-H124 PolarHBondContact O-CE1 3.05Å; L41-H124 HydrophobicContact CD2-CB 4.3Å; R42-H124 PolarHBondContact N-ND1 3.4Å; R42-H124 PolarHBondContact NH1-CE1 2.86Å; R42-H124 PolarHBondContact NH2-CE1 3.45Å; R42-H124 PolarHBondContact O-N 3.27Å; H124-H157 PolarHBondContact O-ND1 3.2Å
125	A	98.4	Very high	97.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	145.1	170.5	0	0	0	0	0	111.9	R42 L43 I44 L127 H157 I159 V219 I222	R42-A125 PolarHBondContact O-N 3.01Å; L43-A125 WeakPolarHBondContact CA-O 3.39Å; L43-A125 HydrophobicContact CD2-CB 3.87Å; I44-A125 PolarHBondContact N-O 3.21Å; I44-A125 VanDerWaalsContact N-O 3.12Å; A125-L127 HydrophobicContact CB-CD2 4.33Å; A125-H157 CarbonylContact C-O 3.56Å; A125-H157 VanDerWaalsContact CA-O 3.3Å; A125-H157 WeakPolarHBondContact CA-O 3.35Å; A125-I159 HydrophobicContact CB-CD1 4.16Å; A125-V219 HydrophobicContact CB-CG1 4.41Å; A125-V219 HydrophobicContact CB-CG2 3.93Å; A125-I222 HydrophobicContact CB-CD1 4.31Å
126	V	98.6	Very high	97.2	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.2	168.9	-179.5	0	0	0	0	107.7	I44 M46 P123 L146 V154 H157 T158 I159	I44-V126 HydrophobicContact CG2-CB 4.15Å; I44-V126 HydrophobicContact CG2-CG1 4.19Å; I44-V126 HydrophobicContact CG2-CG2 3.73Å; M46-V126 HydrophobicContact CB-CG1 4.07Å; M46-V126 HydrophobicContact CG-CG1 3.57Å; P123-V126 HydrophobicContact CG-CG2 4.1Å; V126-L146 HydrophobicContact CG1-CD1 4.13Å; V126-L146 HydrophobicContact CG1-CD2 4.48Å; V126-V154 HydrophobicContact CG2-CG2 3.81Å; V126-H157 PolarHBondContact N-O 3.41Å; V126-T158 CarbonylContact O-C 3.5Å; V126-T158 VanDerWaalsContact O-CA 3.29Å; V126-T158 WeakPolarHBondContact O-CA 3.45Å; V126-I159 PolarHBondContact O-N 2.81Å
127	L	98.8	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	102.6	177.7	-53.8	-168.8	0	0	0	108.6	L43 I44 L45 M46 I60 A125 V129 I159 V161 L215	L43-L127 HydrophobicContact CB-CD1 4.32Å; L43-L127 HydrophobicContact CB-CG 4.48Å; L43-L127 HydrophobicContact CD1-CD1 4.24Å; I44-L127 PolarHBondContact O-N 3.27Å; L45-L127 HydrophobicContact CD2-CB 3.95Å; L45-L127 HydrophobicContact CD2-CD1 3.76Å; L45-L127 HydrophobicContact CD2-CG 4.26Å; M46-L127 PolarHBondContact N-O 2.99Å; M46-L127 VanDerWaalsContact O-O 3.1Å; I60-L127 HydrophobicContact CD1-CD1 3.6Å; A125-L127 HydrophobicContact CB-CD2 4.33Å; L127-V129 PolarHBondContact O-N 3.31Å; L127-I159 HydrophobicContact CD2-CB 3.99Å; L127-I159 HydrophobicContact CD2-CD1 4.03Å; L127-I159 HydrophobicContact CD2-CG1 4.39Å; L127-V161 HydrophobicContact CB-CG2 3.97Å; L127-V161 HydrophobicContact CD2-CG2 4.34Å; L127-L215 HydrophobicContact CD1-CD1 4.28Å; L127-L215 HydrophobicContact CD1-CD2 3.91Å; L127-L215 HydrophobicContact CD2-CD1 3.73Å
128	L	98.6	Very high	96.9	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	99.8	175	-179.9	62.9	0	0	0	108.9	V142 V143 T158 I159 L160 V161 L188	L128-V142 HydrophobicContact CD1-CG1 3.71Å; L128-V143 HydrophobicContact CD2-CG2 3.65Å; L128-T158 HydrophobicContact CB-CG2 3.77Å; L128-I159 PolarHBondContact N-O 3.39Å; L128-L160 HydrophobicContact CD2-CD1 4.17Å; L128-L160 HydrophobicContact CG-CD1 4.24Å; L128-V161 PolarHBondContact O-N 2.76Å; L128-L188 HydrophobicContact CD2-CD2 4.06Å
129	V	98.4	Very high	96.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121	-174.2	-170.5	0	0	0	0	110.4	M46 S51 K53 L127 V161 T163	M46-V129 PolarHBondContact O-N 3.24Å; S51-V129 WeakPolarHBondContact CB-O 3.47Å; S51-V129 WeakPolarHBondContact O-CG1 3.42Å; S51-V129 PolarHBondContact OG-O 2.88Å; K53-V129 HydrophobicContact CG-CB 3.95Å; K53-V129 HydrophobicContact CG-CG2 4.05Å; L127-V129 PolarHBondContact O-N 3.31Å; V129-V161 WeakPolarHBondContact CA-O 3.37Å; V129-V161 HydrophobicContact CG2-CB 4.37Å; V129-T163 HydrophobicContact CG1-CG2 3.42Å; V129-T163 VanDerWaalsContact CG1-CG2 3.42Å
130	T	97.4	Very high	96.8	Very high	2 Å²	2	32 Å²	32	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	162	173.5	-166.8	0	0	0	0	110.7	F135 D139 L160 V161 F162 T163	T130-F135 HydrophobicContact CG2-CD2 4.37Å; T130-D139 PolarHBondContact OG1-OD1 3.47Å; T130-L160 HydrophobicContact CG2-CD1 3.76Å; T130-L160 HydrophobicContact CG2-CG 4.43Å; T130-V161 PolarHBondContact N-O 3.19Å; T130-V161 VanDerWaalsContact O-O 3.12Å; T130-F162 HydrophobicContact CG2-CD1 3.72Å; T130-F162 HydrophobicContact CG2-CE1 3.81Å; T130-F162 HydrophobicContact CG2-CG 4.42Å; T130-F162 CarbonylContact O-C 3.54Å; T130-F162 WeakPolarHBondContact O-CA 3.46Å; T130-T163 PolarHBondContact O-N 2.83Å; T130-T163 PolarHBondContact O-OG1 2.99Å
131	Q	97.2	Very high	96.7	Very high	20 Å²	20	34 Å²	34	9%	0.093	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.1	178.6	-170.8	-166.6	-46.3	0	0	109.9	G133 R134 R164	Q131-G133 PolarHBondContact O-N 2.69Å; Q131-R134 HydrophobicContact CB-CB 4.32Å; Q131-R134 PolarHBondContact O-N 2.86Å; Q131-R164 HydrophobicContact CG-CG 4.09Å
132	L	96.7	Very high	96.7	Very high	9 Å²	9	32.7 Å²	32.7	5%	0.047	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	137.2	172.4	-165.5	80.5	0	0	0	111.2	R134 F162 T163 D167 L168 L173 Y176	L132-R134 PolarHBondContact O-N 2.65Å; L132-F162 HydrophobicContact CB-CB 4.48Å; L132-F162 HydrophobicContact CD1-CB 4.03Å; L132-F162 HydrophobicContact CD1-CD1 3.88Å; L132-F162 HydrophobicContact CD1-CG 4.06Å; L132-T163 VanDerWaalsContact CB-O 3.24Å; L132-T163 WeakPolarHBondContact CB-O 3.26Å; L132-T163 PolarHBondContact N-O 2.81Å; L132-D167 HydrophobicContact CD2-CB 4.06Å; L132-L168 HydrophobicContact CD1-CD2 4.34Å; L132-L168 HydrophobicContact CD2-CD1 4.45Å; L132-L168 HydrophobicContact CD2-CD2 3.75Å; L132-L168 HydrophobicContact CD2-CG 3.57Å; L132-L173 HydrophobicContact CD1-CD1 3.67Å; L132-Y176 HydrophobicContact CD1-CD1 3.58Å; L132-Y176 HydrophobicContact CD1-CE1 3.47Å; L132-Y176 VanDerWaalsContact CD1-CE1 3.47Å; L132-Y176 HydrophobicContact CD1-CE2 4.49Å; L132-Y176 HydrophobicContact CD1-CG 4.16Å; L132-Y176 HydrophobicContact CG-CE1 4.3Å
133	G	95.1	Very high	96.6	Very high	55 Å²	55	33 Å²	33	57%	0.567	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	-0.7	-178.4	0	0	0	0	0	115.1	Q131 Y176	Q131-G133 PolarHBondContact O-N 2.69Å; G133-Y176 VanDerWaalsContact CA-OH 3.26Å; G133-Y176 WeakPolarHBondContact CA-OH 3.49Å; G133-Y176 PolarHBondContact N-OH 3.26Å
134	R	94.7	Very high	96.5	Very high	144 Å²	144	37.4 Å²	37.4	54%	0.543	19%	0.189	S	C	.	.			trans	-138.9	55.9	-173.4	-63.8	-168.8	179.5	175.9	-7.7	113.8	Q131 L132 T136	Q131-R134 HydrophobicContact CB-CB 4.32Å; Q131-R134 PolarHBondContact O-N 2.86Å; L132-R134 PolarHBondContact O-N 2.65Å; R134-T136 PolarHBondContact O-N 3.27Å
135	F	95.6	Very high	96.4	Very high	17 Å²	17	37.4 Å²	37.4	8%	0.075	19%	0.189	C	C	.	.			trans	-85.4	102.7	167.6	-165.7	-95.1	0	0	0	109.9	T130 D139 Q140 N182 A184 L185 L188	T130-F135 HydrophobicContact CG2-CD2 4.37Å; F135-D139 HydrophobicContact CD2-CB 3.69Å; F135-D139 HydrophobicContact CE1-CB 4.48Å; F135-D139 HydrophobicContact CE2-CB 3.58Å; F135-D139 HydrophobicContact CG-CB 4.21Å; F135-D139 HydrophobicContact CZ-CB 4Å; F135-Q140 HydrophobicContact CD1-CG 4.47Å; F135-Q140 HydrophobicContact CE1-CG 3.64Å; F135-Q140 HydrophobicContact CZ-CG 4.23Å; F135-N182 PolarHBondContact O-ND2 3.28Å; F135-A184 HydrophobicContact CD1-CB 4.45Å; F135-A184 HydrophobicContact CE1-CB 3.92Å; F135-L185 HydrophobicContact CB-CB 4.33Å; F135-L185 HydrophobicContact CB-CD2 4.38Å; F135-L185 HydrophobicContact CD1-CB 3.82Å; F135-L185 HydrophobicContact CD2-CD1 3.99Å; F135-L185 HydrophobicContact CE1-CB 4.29Å; F135-L185 HydrophobicContact CE2-CD1 4.29Å; F135-L185 HydrophobicContact CG-CB 4.01Å; F135-L185 HydrophobicContact CG-CD1 4.16Å; F135-L188 HydrophobicContact CE2-CD2 3.68Å; F135-L188 HydrophobicContact CZ-CD2 3.68Å
136	T	95.3	Very high	96.3	Very high	59 Å²	59	37.4 Å²	37.4	36%	0.362	19%	0.189	S	C	.	.			trans	-108.3	175.7	-173.1	67.8	0	0	0	0	112.1	K48 R134 E138 D139 Q140	K48-T136 PolarHBondContact NZ-OG1 3.24Å; R134-T136 PolarHBondContact O-N 3.27Å; T136-E138 PolarHBondContact O-N 3.42Å; T136-E138 VanDerWaalsContact O-N 3.17Å; T136-E138 PolarHBondContact OG1-N 3.36Å; T136-D139 PolarHBondContact N-OD2 2.8Å; T136-D139 WeakPolarHBondContact O-CB 3.42Å; T136-D139 PolarHBondContact O-N 3.41Å; T136-D139 PolarHBondContact OG1-OD2 3.16Å; T136-Q140 PolarHBondContact O-N 2.91Å; T136-Q140 VanDerWaalsContact O-N 3.15Å
137	D	95.3	Very high	96.3	Very high	130 Å²	130	38.2 Å²	38.2	70%	0.695	19%	0.192	S	C	*	.	H	α-helix	trans	-56.2	-29.7	173.7	-59.6	-19.4	0	0	0	112.6	Q140 Q141	D137-Q140 WeakPolarHBondContact O-CB 3.42Å; D137-Q140 PolarHBondContact O-N 3.27Å; D137-Q140 PolarHBondContact OD1-NE2 3.48Å; D137-Q140 VanDerWaalsContact OD1-NE2 3.1Å; D137-Q141 WeakPolarHBondContact O-CB 3.45Å; D137-Q141 PolarHBondContact O-N 2.93Å
138	E	93.9	Very high	96.1	Very high	93 Å²	93	38.6 Å²	38.6	44%	0.435	19%	0.194	S	C	.	.	H	α-helix	trans	-65.2	-39.2	173.2	-168.1	-178.3	-177.9	0	0	111.9	K48 T136 Q141 V142	K48-E138 HydrophobicContact CB-CG 4.21Å; K48-E138 HydrophobicContact CD-CB 4.2Å; K48-E138 HydrophobicContact CD-CG 3.96Å; K48-E138 WeakPolarHBondContact CD-OE2 3.47Å; T136-E138 PolarHBondContact O-N 3.42Å; T136-E138 VanDerWaalsContact O-N 3.17Å; T136-E138 PolarHBondContact OG1-N 3.36Å; E138-Q141 PolarHBondContact O-N 3.35Å; E138-V142 WeakPolarHBondContact O-CG2 3.43Å; E138-V142 PolarHBondContact O-N 3.39Å
139	D	95.3	Very high	96	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-39.2	174.7	-60.4	-86.5	0	0	0	111.1	K48 T130 F135 T136 Q141 V142 V143	K48-D139 WeakPolarHBondContact CE-OD1 3.49Å; K48-D139 VanDerWaalsContact CE-OD2 3.32Å; K48-D139 WeakPolarHBondContact CE-OD2 3.48Å; K48-D139 IonicContact NZ-OD1 2.71Å; K48-D139 IonicContact NZ-OD2 3.24Å; K48-D139 PolarHBondContact NZ-OD2 3Å; T130-D139 PolarHBondContact OG1-OD1 3.47Å; F135-D139 HydrophobicContact CD2-CB 3.69Å; F135-D139 HydrophobicContact CE1-CB 4.48Å; F135-D139 HydrophobicContact CE2-CB 3.58Å; F135-D139 HydrophobicContact CG-CB 4.21Å; F135-D139 HydrophobicContact CZ-CB 4Å; T136-D139 PolarHBondContact N-OD2 2.8Å; T136-D139 WeakPolarHBondContact O-CB 3.42Å; T136-D139 PolarHBondContact O-N 3.41Å; T136-D139 PolarHBondContact OG1-OD2 3.16Å; D139-Q141 VanDerWaalsContact C-N 3.33Å; D139-Q141 PolarHBondContact O-N 3Å; D139-V142 WeakPolarHBondContact O-CB 3.34Å; D139-V142 PolarHBondContact O-N 2.83Å; D139-V143 WeakPolarHBondContact O-CG2 3.39Å; D139-V143 PolarHBondContact O-N 3.31Å
140	Q	95.7	Very high	95.9	Very high	80 Å²	80	38.6 Å²	38.6	37%	0.374	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-42.8	173.6	-64.5	179	66.3	0	0	111.5	F135 T136 D137 V142 V143 R144 A184	F135-Q140 HydrophobicContact CD1-CG 4.47Å; F135-Q140 HydrophobicContact CE1-CG 3.64Å; F135-Q140 HydrophobicContact CZ-CG 4.23Å; T136-Q140 PolarHBondContact O-N 2.91Å; T136-Q140 VanDerWaalsContact O-N 3.15Å; D137-Q140 WeakPolarHBondContact O-CB 3.42Å; D137-Q140 PolarHBondContact O-N 3.27Å; D137-Q140 PolarHBondContact OD1-NE2 3.48Å; D137-Q140 VanDerWaalsContact OD1-NE2 3.1Å; Q140-V142 VanDerWaalsContact C-N 3.3Å; Q140-V142 PolarHBondContact O-N 2.87Å; Q140-V143 WeakPolarHBondContact O-CB 3.39Å; Q140-V143 PolarHBondContact O-N 2.9Å; Q140-R144 PolarHBondContact O-N 3.22Å; Q140-A184 HydrophobicContact CG-CB 3.76Å
141	Q	95	Very high	95.9	Very high	55 Å²	55	38.7 Å²	38.7	26%	0.257	20%	0.195	S	C	.	.	H	α-helix	trans	-64.7	-35.1	176.8	-174.9	55.7	74.3	0	0	112.1	P102 D137 E138 D139 R144 R145	P102-Q141 HydrophobicContact CB-CG 3.71Å; P102-Q141 HydrophobicContact CG-CG 3.79Å; D137-Q141 WeakPolarHBondContact O-CB 3.45Å; D137-Q141 PolarHBondContact O-N 2.93Å; E138-Q141 PolarHBondContact O-N 3.35Å; D139-Q141 VanDerWaalsContact C-N 3.33Å; D139-Q141 PolarHBondContact O-N 3Å; Q141-R144 PolarHBondContact O-N 3.36Å; Q141-R145 WeakPolarHBondContact O-CB 3.25Å; Q141-R145 WeakPolarHBondContact O-CG 3.46Å; Q141-R145 PolarHBondContact O-N 3.44Å
142	V	96	Very high	95.9	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-63.2	-43.3	172.3	165.9	0	0	0	0	111.3	K48 L100 L128 E138 D139 Q140 R144 R145 L146	K48-V142 HydrophobicContact CB-CG2 4.01Å; L100-V142 HydrophobicContact CB-CB 4.42Å; L100-V142 HydrophobicContact CB-CG1 3.91Å; L100-V142 HydrophobicContact CB-CG2 4.31Å; L100-V142 HydrophobicContact CD1-CG1 3.65Å; L100-V142 HydrophobicContact CG-CG1 4.45Å; L128-V142 HydrophobicContact CD1-CG1 3.71Å; E138-V142 WeakPolarHBondContact O-CG2 3.43Å; E138-V142 PolarHBondContact O-N 3.39Å; D139-V142 WeakPolarHBondContact O-CB 3.34Å; D139-V142 PolarHBondContact O-N 2.83Å; Q140-V142 VanDerWaalsContact C-N 3.3Å; Q140-V142 PolarHBondContact O-N 2.87Å; V142-R144 VanDerWaalsContact C-N 3.32Å; V142-R144 PolarHBondContact O-N 3.48Å; V142-R145 PolarHBondContact O-N 2.9Å; V142-L146 WeakPolarHBondContact O-CB 3.43Å; V142-L146 PolarHBondContact O-N 3.22Å
143	V	96.6	Very high	95.8	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-61.4	-41.9	175.7	173.8	0	0	0	0	111.1	L128 D139 Q140 L146 Q147 W187 L188	L128-V143 HydrophobicContact CD2-CG2 3.65Å; D139-V143 WeakPolarHBondContact O-CG2 3.39Å; D139-V143 PolarHBondContact O-N 3.31Å; Q140-V143 WeakPolarHBondContact O-CB 3.39Å; Q140-V143 PolarHBondContact O-N 2.9Å; V143-L146 WeakPolarHBondContact O-CB 3.29Å; V143-L146 PolarHBondContact O-N 2.93Å; V143-Q147 PolarHBondContact O-N 2.95Å; V143-Q147 PolarHBondContact O-NE2 3.27Å; V143-W187 HydrophobicContact CG1-CZ3 4.47Å; V143-L188 HydrophobicContact CG1-CD1 3.87Å; V143-L188 HydrophobicContact CG2-CD1 3.97Å; V143-L188 HydrophobicContact CG2-CD2 3.76Å
144	R	95.6	Very high	95.9	Very high	94 Å²	94	41.1 Å²	41.1	36%	0.355	21%	0.211	S	C	.	.	H	α-helix	trans	-63.2	-47.9	175.4	-172.3	174.9	-172	-126.3	3.2	111.2	Q140 Q141 V142 L146 Q147 E148 D291	Q140-R144 PolarHBondContact O-N 3.22Å; Q141-R144 PolarHBondContact O-N 3.36Å; V142-R144 VanDerWaalsContact C-N 3.32Å; V142-R144 PolarHBondContact O-N 3.48Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 3.42Å; R144-Q147 PolarHBondContact O-N 3.22Å; R144-Q147 VanDerWaalsContact O-N 3.16Å; R144-E148 IonicContact CZ-OE1 2.77Å; R144-E148 IonicContact NE-OE1 3.22Å; R144-E148 IonicContact NH1-OE1 3.96Å; R144-E148 WeakPolarHBondContact O-CG 3.23Å; R144-E148 PolarHBondContact O-N 2.97Å; R144-D291 IonicContact NH2-OD2 3.93Å
145	R	95.9	Very high	96.1	Very high	5 Å²	5	34.8 Å²	34.8	2%	0.019	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-36.4	176.5	-73.9	-63.6	-65.6	143.8	-0.6	112.4	L100 S101 Q141 V142 Q147 E148 V149 E280	L100-R145 HydrophobicContact CB-CB 4.06Å; L100-R145 HydrophobicContact CD2-CB 4.3Å; L100-R145 WeakPolarHBondContact O-CB 3.31Å; L100-R145 WeakPolarHBondContact O-CG 3.4Å; S101-R145 PolarHBondContact O-NE 2.87Å; Q141-R145 WeakPolarHBondContact O-CB 3.25Å; Q141-R145 WeakPolarHBondContact O-CG 3.46Å; Q141-R145 PolarHBondContact O-N 3.44Å; V142-R145 PolarHBondContact O-N 2.9Å; R145-Q147 VanDerWaalsContact C-N 3.3Å; R145-Q147 PolarHBondContact O-N 2.8Å; R145-E148 WeakPolarHBondContact CD-OE2 3.42Å; R145-E148 IonicContact CZ-OE2 3.23Å; R145-E148 IonicContact NE-OE2 3.19Å; R145-E148 IonicContact NH1-OE2 2.82Å; R145-E148 PolarHBondContact NH1-OE2 3.27Å; R145-E148 PolarHBondContact O-N 3.33Å; R145-V149 WeakPolarHBondContact O-CB 3.3Å; R145-V149 VanDerWaalsContact O-CG2 3.26Å; R145-V149 WeakPolarHBondContact O-CG2 3.45Å; R145-V149 PolarHBondContact O-N 3.47Å; R145-E280 IonicContact CZ-OE1 2.83Å; R145-E280 IonicContact NH1-OE1 3.66Å; R145-E280 PolarHBondContact NH1-OE1 3.15Å; R145-E280 IonicContact NH2-OE1 3.64Å; R145-E280 PolarHBondContact NH2-OE1 3.44Å; R145-E280 IonicContact NH2-OE2 3.77Å
146	L	97.2	Very high	96.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-45.6	175.4	-176.3	68.2	0	0	0	111	M46 L100 V126 V142 V143 R144 F150 V154 L155 T158	M46-L146 HydrophobicContact CG-CD1 4.22Å; L100-L146 HydrophobicContact CD1-CB 3.98Å; L100-L146 HydrophobicContact CD1-CD1 3.9Å; L100-L146 HydrophobicContact CD1-CG 4.49Å; L100-L146 HydrophobicContact CD2-CB 4.49Å; L100-L146 HydrophobicContact CD2-CD1 4.47Å; V126-L146 HydrophobicContact CG1-CD1 4.13Å; V126-L146 HydrophobicContact CG1-CD2 4.48Å; V142-L146 WeakPolarHBondContact O-CB 3.43Å; V142-L146 PolarHBondContact O-N 3.22Å; V143-L146 WeakPolarHBondContact O-CB 3.29Å; V143-L146 PolarHBondContact O-N 2.93Å; R144-L146 VanDerWaalsContact C-N 3.29Å; R144-L146 PolarHBondContact O-N 3.42Å; L146-F150 HydrophobicContact CD1-CD2 3.78Å; L146-F150 HydrophobicContact CD1-CE2 4.23Å; L146-F150 WeakPolarHBondContact O-CB 3.47Å; L146-F150 PolarHBondContact O-N 2.81Å; L146-V154 HydrophobicContact CD1-CG1 4.43Å; L146-V154 HydrophobicContact CD1-CG2 4.45Å; L146-V154 HydrophobicContact CD2-CG1 4.17Å; L146-V154 HydrophobicContact CG-CG1 3.78Å; L146-L155 HydrophobicContact CD2-CD2 4.08Å; L146-T158 HydrophobicContact CD2-CG2 4.33Å
147	Q	97.4	Very high	96.3	Very high	19 Å²	19	33 Å²	33	9%	0.089	18%	0.183	C	C	.	.	H	α-helix	trans	-72.3	-31.5	177.4	-63.9	170.9	82.3	0	0	112.9	V143 R144 R145 G151 L155 L287	V143-Q147 PolarHBondContact O-N 2.95Å; V143-Q147 PolarHBondContact O-NE2 3.27Å; R144-Q147 PolarHBondContact O-N 3.22Å; R144-Q147 VanDerWaalsContact O-N 3.16Å; R145-Q147 VanDerWaalsContact C-N 3.3Å; R145-Q147 PolarHBondContact O-N 2.8Å; Q147-G151 CarbonylContact O-C 3.34Å; Q147-G151 WeakPolarHBondContact O-CA 3.48Å; Q147-G151 PolarHBondContact O-N 2.95Å; Q147-L155 HydrophobicContact CG-CD1 3.9Å; Q147-L155 HydrophobicContact CG-CD2 4.11Å; Q147-L155 HydrophobicContact CG-CG 4Å; Q147-L287 HydrophobicContact CB-CD1 3.78Å; Q147-L287 HydrophobicContact CB-CD2 4.4Å
148	E	95.6	Very high	96.4	Very high	7 Å²	7	26.9 Å²	26.9	3%	0.033	15%	0.15	C	C	.	.	H	α-helix	trans	-66.9	-48.5	173.2	-70	174.1	-172.2	0	0	110.6	R144 R145 E280 H283 R284 L287	R144-E148 IonicContact CZ-OE1 2.77Å; R144-E148 IonicContact NE-OE1 3.22Å; R144-E148 IonicContact NH1-OE1 3.96Å; R144-E148 WeakPolarHBondContact O-CG 3.23Å; R144-E148 PolarHBondContact O-N 2.97Å; R145-E148 WeakPolarHBondContact CD-OE2 3.42Å; R145-E148 IonicContact CZ-OE2 3.23Å; R145-E148 IonicContact NE-OE2 3.19Å; R145-E148 IonicContact NH1-OE2 2.82Å; R145-E148 PolarHBondContact NH1-OE2 3.27Å; R145-E148 PolarHBondContact O-N 3.33Å; E148-E280 HydrophobicContact CB-CG 4.29Å; E148-E280 WeakPolarHBondContact O-CA 3.29Å; E148-H283 VanDerWaalsContact O-CB 3.29Å; E148-H283 WeakPolarHBondContact O-CB 3.34Å; E148-H283 PolarHBondContact O-ND1 2.88Å; E148-R284 HydrophobicContact CG-CB 4.22Å; E148-R284 HydrophobicContact CG-CG 4.36Å; E148-R284 IonicContact OE2-NE 3.72Å; E148-L287 HydrophobicContact CG-CD1 3.6Å
149	V	95.6	Very high	96.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-71.1	-43.9	-175.3	175.5	0	0	0	0	111.9	L100 I112 R145 Q276	L100-V149 HydrophobicContact CD2-CG2 4.3Å; I112-V149 HydrophobicContact CD1-CG1 4Å; I112-V149 HydrophobicContact CD1-CG2 3.91Å; I112-V149 HydrophobicContact CG1-CG1 4.23Å; I112-V149 HydrophobicContact CG2-CG1 3.64Å; R145-V149 WeakPolarHBondContact O-CB 3.3Å; R145-V149 VanDerWaalsContact O-CG2 3.26Å; R145-V149 WeakPolarHBondContact O-CG2 3.45Å; R145-V149 PolarHBondContact O-N 3.47Å; V149-Q276 PolarHBondContact O-NE2 2.87Å
150	F	97.2	Very high	96.8	Very high	6 Å²	6	22.1 Å²	22.1	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-111.2	1.5	-173.8	-60	-81.6	0	0	0	112.9	M46 L100 I116 L146 V154 Y231 Y236	M46-F150 HydrophobicContact CE-CE2 3.51Å; M46-F150 HydrophobicContact CE-CZ 3.55Å; L100-F150 HydrophobicContact CD2-CE2 4.43Å; I116-F150 HydrophobicContact CG1-CE1 4.09Å; L146-F150 HydrophobicContact CD1-CD2 3.78Å; L146-F150 HydrophobicContact CD1-CE2 4.23Å; L146-F150 WeakPolarHBondContact O-CB 3.47Å; L146-F150 PolarHBondContact O-N 2.81Å; F150-V154 HydrophobicContact CB-CB 3.75Å; F150-V154 HydrophobicContact CB-CG1 4.05Å; F150-V154 HydrophobicContact CB-CG2 3.73Å; F150-V154 HydrophobicContact CG-CG2 4.31Å; F150-Y231 HydrophobicContact CB-CE1 4.19Å; F150-Y231 HydrophobicContact CD1-CE1 4.03Å; F150-Y231 PolarHBondContact O-OH 3.37Å; F150-Y236 HydrophobicContact CD1-CE2 4.24Å; F150-Y236 HydrophobicContact CE1-CE2 4.22Å
151	G	97	Very high	97	Very high	4 Å²	4	18.3 Å²	18.3	4%	0.041	11%	0.11	C	C	.	.			trans	74.7	160.1	-176	0	0	0	0	0	112.5	Q147 G153 V154 H283	Q147-G151 CarbonylContact O-C 3.34Å; Q147-G151 WeakPolarHBondContact O-CA 3.48Å; Q147-G151 PolarHBondContact O-N 2.95Å; G151-G153 PolarHBondContact O-N 2.79Å; G151-V154 WeakPolarHBondContact O-CB 3.26Å; G151-V154 WeakPolarHBondContact O-CG1 3.46Å; G151-V154 PolarHBondContact O-N 3.16Å; G151-V154 VanDerWaalsContact O-N 3.16Å; G151-H283 VanDerWaalsContact CA-CE1 3.41Å; G151-H283 WeakPolarHBondContact CA-CE1 3.46Å; G151-H283 WeakPolarHBondContact CA-ND1 3.21Å; G151-H283 PolarHBondContact N-CE1 2.82Å; G151-H283 VanDerWaalsContact N-CE1 3.34Å; G151-H283 PolarHBondContact N-ND1 2.96Å
152	V	96.4	Very high	97.1	Very high	80 Å²	80	15.7 Å²	15.7	49%	0.485	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-61.5	-31.2	-172.2	-169.8	0	0	0	0	112.7	V154 L155 L287	V152-V154 PolarHBondContact O-N 3.29Å; V152-V154 VanDerWaalsContact O-N 3.11Å; V152-L155 PolarHBondContact O-N 3.16Å; V152-L287 HydrophobicContact CG2-CD2 4.08Å
153	G	95.9	Very high	97.3	Very high	55 Å²	55	15.9 Å²	15.9	57%	0.567	10%	0.099	S	C	*	.	G	3₁₀ helix	trans	-60.6	-20.5	179.2	0	0	0	0	0	114.5	G151 L155 G156	G151-G153 PolarHBondContact O-N 2.79Å; G153-L155 PolarHBondContact O-N 3.02Å; G153-G156 PolarHBondContact O-N 3.37Å; G153-G156 VanDerWaalsContact O-N 3.09Å
154	V	97.6	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-60.4	-26.7	176.8	77	0	0	0	0	112.8	V126 L146 F150 G151 V152 G156 H157 T158 Y231	V126-V154 HydrophobicContact CG2-CG2 3.81Å; L146-V154 HydrophobicContact CD1-CG1 4.43Å; L146-V154 HydrophobicContact CD1-CG2 4.45Å; L146-V154 HydrophobicContact CD2-CG1 4.17Å; L146-V154 HydrophobicContact CG-CG1 3.78Å; F150-V154 HydrophobicContact CB-CB 3.75Å; F150-V154 HydrophobicContact CB-CG1 4.05Å; F150-V154 HydrophobicContact CB-CG2 3.73Å; F150-V154 HydrophobicContact CG-CG2 4.31Å; G151-V154 WeakPolarHBondContact O-CB 3.26Å; G151-V154 WeakPolarHBondContact O-CG1 3.46Å; G151-V154 PolarHBondContact O-N 3.16Å; G151-V154 VanDerWaalsContact O-N 3.16Å; V152-V154 PolarHBondContact O-N 3.29Å; V152-V154 VanDerWaalsContact O-N 3.11Å; V154-G156 PolarHBondContact O-N 2.88Å; V154-H157 CarbonylContact O-C 3.48Å; V154-H157 PolarHBondContact O-N 3.29Å; V154-T158 PolarHBondContact O-N 3.17Å; V154-T158 PolarHBondContact O-OG1 3.14Å; V154-Y231 HydrophobicContact CB-CD2 4.26Å; V154-Y231 HydrophobicContact CB-CE2 3.87Å; V154-Y231 HydrophobicContact CG2-CD1 4.37Å; V154-Y231 HydrophobicContact CG2-CD2 4.29Å; V154-Y231 HydrophobicContact CG2-CE1 4.3Å; V154-Y231 HydrophobicContact CG2-CE2 4.19Å; V154-Y231 HydrophobicContact CG2-CG 4.39Å
155	L	97.6	Very high	97.3	Very high	11 Å²	11	18.9 Å²	18.9	6%	0.058	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-65.5	-27.1	178.7	-60.4	-175.6	0	0	0	112.3	L146 Q147 V152 G153 H157 T158 T191 L192 R195	L146-L155 HydrophobicContact CD2-CD2 4.08Å; Q147-L155 HydrophobicContact CG-CD1 3.9Å; Q147-L155 HydrophobicContact CG-CD2 4.11Å; Q147-L155 HydrophobicContact CG-CG 4Å; V152-L155 PolarHBondContact O-N 3.16Å; G153-L155 PolarHBondContact O-N 3.02Å; L155-H157 PolarHBondContact O-N 2.69Å; L155-T158 PolarHBondContact O-N 3.41Å; L155-T158 VanDerWaalsContact O-N 3.16Å; L155-T191 HydrophobicContact CD1-CG2 3.79Å; L155-L192 HydrophobicContact CB-CD2 3.98Å; L155-L192 HydrophobicContact CD2-CD2 4.11Å; L155-L192 WeakPolarHBondContact O-CD2 3.45Å; L155-R195 PolarHBondContact O-NH2 3.21Å; L155-R195 VanDerWaalsContact O-NH2 3.16Å
156	G	97.1	Very high	97.4	Very high	26 Å²	26	21.9 Å²	21.9	27%	0.268	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-64.7	-21.3	172.4	0	0	0	0	0	113.7	G153 V154	G153-G156 PolarHBondContact O-N 3.37Å; G153-G156 VanDerWaalsContact O-N 3.09Å; V154-G156 PolarHBondContact O-N 2.88Å
157	H	98.3	Very high	97.3	Very high	14 Å²	14	26.3 Å²	26.3	7%	0.065	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-108.8	10.9	175.7	-66	-98.5	0	0	0	113	H124 A125 V126 V154 L155 I222 N226 D229 Y231	H124-H157 PolarHBondContact O-ND1 3.2Å; A125-H157 CarbonylContact C-O 3.56Å; A125-H157 VanDerWaalsContact CA-O 3.3Å; A125-H157 WeakPolarHBondContact CA-O 3.35Å; V126-H157 PolarHBondContact N-O 3.41Å; V154-H157 CarbonylContact O-C 3.48Å; V154-H157 PolarHBondContact O-N 3.29Å; L155-H157 PolarHBondContact O-N 2.69Å; H157-I222 HydrophobicContact CB-CG2 4.27Å; H157-N226 PolarHBondContact NE2-OD1 2.96Å; H157-D229 PolarHBondContact CE1-O 2.97Å; H157-Y231 AromaticContact CD2-CD2 3.97Å; H157-Y231 PolarHBondContact CE1-N 2.93Å
158	T	98.6	Very high	97.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.1	-175.1	-60.5	0	0	0	0	111.8	V126 L128 L146 V154 L155 L192 R195	V126-T158 CarbonylContact O-C 3.5Å; V126-T158 VanDerWaalsContact O-CA 3.29Å; V126-T158 WeakPolarHBondContact O-CA 3.45Å; L128-T158 HydrophobicContact CB-CG2 3.77Å; L146-T158 HydrophobicContact CD2-CG2 4.33Å; V154-T158 PolarHBondContact O-N 3.17Å; V154-T158 PolarHBondContact O-OG1 3.14Å; L155-T158 PolarHBondContact O-N 3.41Å; L155-T158 VanDerWaalsContact O-N 3.16Å; T158-L192 HydrophobicContact CG2-CD1 3.97Å; T158-L192 HydrophobicContact CG2-CD2 3.93Å; T158-R195 PolarHBondContact O-NE 3.25Å
159	I	98.8	Very high	97.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.8	170.9	-56.4	172.4	0	0	0	108	A125 V126 L127 L128 V161 R195 L215 K218 V219 I222	A125-I159 HydrophobicContact CB-CD1 4.16Å; V126-I159 PolarHBondContact O-N 2.81Å; L127-I159 HydrophobicContact CD2-CB 3.99Å; L127-I159 HydrophobicContact CD2-CD1 4.03Å; L127-I159 HydrophobicContact CD2-CG1 4.39Å; L128-I159 PolarHBondContact N-O 3.39Å; I159-V161 HydrophobicContact CG2-CG2 4.39Å; I159-R195 CarbonylContact C-O 3.52Å; I159-R195 WeakPolarHBondContact CA-O 2.85Å; I159-R195 HydrophobicContact CG1-CB 4.44Å; I159-R195 WeakPolarHBondContact CG2-O 3.46Å; I159-L215 HydrophobicContact CD1-CD1 3.88Å; I159-L215 HydrophobicContact CG2-CD1 4.26Å; I159-K218 HydrophobicContact CD1-CB 3.71Å; I159-K218 HydrophobicContact CG1-CB 4.3Å; I159-K218 HydrophobicContact CG2-CD 4.17Å; I159-V219 HydrophobicContact CD1-CG2 3.69Å; I159-I222 HydrophobicContact CD1-CD1 3.85Å; I159-I222 HydrophobicContact CG1-CD1 3.45Å; I159-I222 VanDerWaalsContact CG1-CD1 3.45Å
160	L	98.6	Very high	96.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	116.2	173.8	-175.5	62.4	0	0	0	110.3	L128 T130 F162 L185 L188 L192 R195 H196 C197	L128-L160 HydrophobicContact CD2-CD1 4.17Å; L128-L160 HydrophobicContact CG-CD1 4.24Å; T130-L160 HydrophobicContact CG2-CD1 3.76Å; T130-L160 HydrophobicContact CG2-CG 4.43Å; L160-F162 HydrophobicContact CD2-CE1 4.44Å; L160-F162 HydrophobicContact CD2-CE2 3.58Å; L160-F162 HydrophobicContact CD2-CZ 3.55Å; L160-F162 HydrophobicContact CG-CD2 4.36Å; L160-F162 HydrophobicContact CG-CE2 3.84Å; L160-F162 HydrophobicContact CG-CZ 4.11Å; L160-L185 HydrophobicContact CD2-CD1 3.63Å; L160-L188 HydrophobicContact CD1-CD2 4.1Å; L160-L188 HydrophobicContact CD2-CD2 4.29Å; L160-L192 HydrophobicContact CB-CD1 3.93Å; L160-R195 PolarHBondContact N-O 2.82Å; L160-H196 HydrophobicContact CB-CB 4.03Å; L160-H196 CarbonylContact O-C 3.55Å; L160-H196 WeakPolarHBondContact O-CA 3.41Å; L160-C197 PolarHBondContact O-N 2.85Å
161	V	98.7	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.5	-179.6	-176.1	0	0	0	0	109.7	T56 L127 L128 V129 T130 I159 F199	T56-V161 HydrophobicContact CG2-CG1 4.13Å; L127-V161 HydrophobicContact CB-CG2 3.97Å; L127-V161 HydrophobicContact CD2-CG2 4.34Å; L128-V161 PolarHBondContact O-N 2.76Å; V129-V161 WeakPolarHBondContact CA-O 3.37Å; V129-V161 HydrophobicContact CG2-CB 4.37Å; T130-V161 PolarHBondContact N-O 3.19Å; T130-V161 VanDerWaalsContact O-O 3.12Å; I159-V161 HydrophobicContact CG2-CG2 4.39Å; V161-F199 HydrophobicContact CG1-CB 4.31Å; V161-F199 HydrophobicContact CG1-CD2 3.74Å; V161-F199 HydrophobicContact CG1-CE2 4.44Å; V161-F199 HydrophobicContact CG1-CG 4.21Å
162	F	98.6	Very high	96.6	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.3	173.9	-69.3	-84.8	0	0	0	110.7	T130 L132 L160 L173 Y176 V177 L185 H196 C197 G198 F199	T130-F162 HydrophobicContact CG2-CD1 3.72Å; T130-F162 HydrophobicContact CG2-CE1 3.81Å; T130-F162 HydrophobicContact CG2-CG 4.42Å; T130-F162 CarbonylContact O-C 3.54Å; T130-F162 WeakPolarHBondContact O-CA 3.46Å; L132-F162 HydrophobicContact CB-CB 4.48Å; L132-F162 HydrophobicContact CD1-CB 4.03Å; L132-F162 HydrophobicContact CD1-CD1 3.88Å; L132-F162 HydrophobicContact CD1-CG 4.06Å; L160-F162 HydrophobicContact CD2-CE1 4.44Å; L160-F162 HydrophobicContact CD2-CE2 3.58Å; L160-F162 HydrophobicContact CD2-CZ 3.55Å; L160-F162 HydrophobicContact CG-CD2 4.36Å; L160-F162 HydrophobicContact CG-CE2 3.84Å; L160-F162 HydrophobicContact CG-CZ 4.11Å; F162-L173 HydrophobicContact CB-CD1 4.23Å; F162-L173 HydrophobicContact CD2-CD1 3.82Å; F162-L173 HydrophobicContact CD2-CD2 4.12Å; F162-L173 HydrophobicContact CD2-CG 4.42Å; F162-L173 HydrophobicContact CE2-CD1 4.31Å; F162-L173 HydrophobicContact CG-CD1 4.07Å; F162-Y176 HydrophobicContact CE1-CE1 4.03Å; F162-Y176 HydrophobicContact CZ-CE1 4.36Å; F162-V177 HydrophobicContact CE2-CG2 3.61Å; F162-V177 HydrophobicContact CZ-CG2 3.78Å; F162-L185 HydrophobicContact CE1-CD1 4.22Å; F162-L185 HydrophobicContact CE1-CD2 4.16Å; F162-L185 HydrophobicContact CZ-CD1 3.77Å; F162-L185 HydrophobicContact CZ-CD2 4.07Å; F162-L185 HydrophobicContact CZ-CG 4.48Å; F162-H196 HydrophobicContact CD2-CB 4.33Å; F162-H196 HydrophobicContact CE2-CB 3.93Å; F162-C197 PolarHBondContact N-O 2.88Å; F162-G198 CarbonylContact O-C 3.53Å; F162-G198 WeakPolarHBondContact O-CA 3.29Å; F162-F199 PolarHBondContact O-N 3.35Å
163	T	98.2	Very high	96.7	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.043	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	160.6	169.7	65.3	0	0	0	0	111.1	S51 T56 V129 T130 L132 F199	S51-T163 WeakPolarHBondContact O-CG2 3.39Å; S51-T163 PolarHBondContact O-OG1 2.98Å; T56-T163 WeakPolarHBondContact OG1-CG2 3.31Å; V129-T163 HydrophobicContact CG1-CG2 3.42Å; V129-T163 VanDerWaalsContact CG1-CG2 3.42Å; T130-T163 PolarHBondContact O-N 2.83Å; T130-T163 PolarHBondContact O-OG1 2.99Å; L132-T163 VanDerWaalsContact CB-O 3.24Å; L132-T163 WeakPolarHBondContact CB-O 3.26Å; L132-T163 PolarHBondContact N-O 2.81Å; T163-F199 CarbonylContact C-O 3.48Å; T163-F199 WeakPolarHBondContact CA-O 3.45Å
164	R	96.7	Very high	96.7	Very high	98 Å²	98	36.9 Å²	36.9	37%	0.37	24%	0.236	S	C	.	.			trans	66.6	45.2	-174.6	-51.6	-171.9	-179	-148	-2.6	113.2	Q131 E166 D167 F199	Q131-R164 HydrophobicContact CG-CG 4.09Å; R164-E166 WeakPolarHBondContact CA-OE2 3.5Å; R164-E166 PolarHBondContact O-N 3.35Å; R164-E166 VanDerWaalsContact O-N 3.13Å; R164-D167 WeakPolarHBondContact CB-OD2 3.49Å; R164-D167 WeakPolarHBondContact CD-OD2 3.45Å; R164-D167 WeakPolarHBondContact O-CB 3.18Å; R164-D167 PolarHBondContact O-N 2.97Å; R164-F199 PolarHBondContact N-O 2.93Å
165	K	97.5	Very high	96.6	Very high	64 Å²	64	40 Å²	40	28%	0.278	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-53.9	-30.3	176.3	-174.9	-177.6	-174.3	165.8	0	112.2	D167 L168 F199 N200 E214	K165-D167 PolarHBondContact O-N 2.96Å; K165-L168 HydrophobicContact CG-CD1 4.23Å; K165-L168 WeakPolarHBondContact O-CB 3.49Å; K165-L168 PolarHBondContact O-N 3.27Å; K165-F199 PolarHBondContact N-O 3.38Å; K165-N200 HydrophobicContact CB-CB 4.17Å; K165-E214 IonicContact NZ-OE2 2.82Å; K165-E214 PolarHBondContact NZ-OE2 2.78Å
166	E	96.3	Very high	96.6	Very high	68 Å²	68	42.6 Å²	42.6	32%	0.318	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-58.3	-25.3	176.1	67.6	-83.7	-162.8	0	0	113.8	R164 L168 A169 N200	R164-E166 WeakPolarHBondContact CA-OE2 3.5Å; R164-E166 PolarHBondContact O-N 3.35Å; R164-E166 VanDerWaalsContact O-N 3.13Å; E166-L168 PolarHBondContact O-N 2.85Å; E166-A169 PolarHBondContact O-N 3.18Å; E166-A169 VanDerWaalsContact O-N 3.1Å; E166-N200 WeakPolarHBondContact OE2-CB 3.49Å; E166-N200 PolarHBondContact OE2-OD1 3.41Å
167	D	96.6	Very high	96.6	Very high	93 Å²	93	41.5 Å²	41.5	50%	0.497	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-70	-11.4	177.8	-69.2	-15.3	0	0	0	112.2	L132 R164 K165 A169	L132-D167 HydrophobicContact CD2-CB 4.06Å; R164-D167 WeakPolarHBondContact CB-OD2 3.49Å; R164-D167 WeakPolarHBondContact CD-OD2 3.45Å; R164-D167 WeakPolarHBondContact O-CB 3.18Å; R164-D167 PolarHBondContact O-N 2.97Å; K165-D167 PolarHBondContact O-N 2.96Å; D167-A169 PolarHBondContact O-N 3.5Å
168	L	95.1	Very high	96.5	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.157	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-71.1	-14.6	169.9	-70.1	169.9	0	0	0	113.2	L132 K165 E166 G170 G171 L173 Y176	L132-L168 HydrophobicContact CD1-CD2 4.34Å; L132-L168 HydrophobicContact CD2-CD1 4.45Å; L132-L168 HydrophobicContact CD2-CD2 3.75Å; L132-L168 HydrophobicContact CD2-CG 3.57Å; K165-L168 HydrophobicContact CG-CD1 4.23Å; K165-L168 WeakPolarHBondContact O-CB 3.49Å; K165-L168 PolarHBondContact O-N 3.27Å; E166-L168 PolarHBondContact O-N 2.85Å; L168-G170 PolarHBondContact O-N 3.42Å; L168-G171 WeakPolarHBondContact O-CA 3.38Å; L168-G171 PolarHBondContact O-N 2.96Å; L168-L173 HydrophobicContact CD1-CB 3.87Å; L168-L173 HydrophobicContact CD1-CD1 4.23Å; L168-Y176 HydrophobicContact CD2-CD2 4.45Å; L168-Y176 HydrophobicContact CD2-CG 4.16Å
169	A	92.8	Very high	96.3	Very high	97 Å²	97	53.7 Å²	53.7	80%	0.802	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	39.6	-178.1	0	0	0	0	0	114.1	E166 D167 G171	E166-A169 PolarHBondContact O-N 3.18Å; E166-A169 VanDerWaalsContact O-N 3.1Å; D167-A169 PolarHBondContact O-N 3.5Å; A169-G171 VanDerWaalsContact C-N 3.33Å
170	G	90.2	Very high	96.2	Very high	86 Å²	86	55.1 Å²	55.1	89%	0.887	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	-1.6	-177.1	0	0	0	0	0	114.8	L168	L168-G170 PolarHBondContact O-N 3.42Å
171	G	94.2	Very high	96	Very high	43 Å²	43	62.7 Å²	62.7	44%	0.443	35%	0.351	S	S	.	.			trans	-67	162.1	171	0	0	0	0	0	113.3	L168 A169	L168-G171 WeakPolarHBondContact O-CA 3.38Å; L168-G171 PolarHBondContact O-N 2.96Å; A169-G171 VanDerWaalsContact C-N 3.33Å
172	S	95.7	Very high	95.9	Very high	52 Å²	52	64.8 Å²	64.8	36%	0.364	36%	0.362	S	S	.	.			trans	-79.8	131.7	177.4	173.4	0	0	0	0	111	E174 D175 Y176	S172-E174 VanDerWaalsContact C-N 3.3Å; S172-E174 PolarHBondContact OG-N 3.17Å; S172-D175 VanDerWaalsContact CB-CG 3.5Å; S172-D175 VanDerWaalsContact CB-OD2 3.26Å; S172-D175 WeakPolarHBondContact CB-OD2 3.39Å; S172-D175 PolarHBondContact O-N 3.18Å; S172-D175 PolarHBondContact OG-N 3.11Å; S172-Y176 PolarHBondContact O-N 3.29Å; S172-Y176 VanDerWaalsContact O-N 3.09Å
173	L	97.1	Very high	95.9	Very high	15 Å²	15	72.8 Å²	72.8	8%	0.079	40%	0.4	C	S	.	.	H	α-helix	trans	-64.7	-38	171.8	-179.5	63.3	0	0	0	111.3	L132 F162 L168 D175 Y176 V177	L132-L173 HydrophobicContact CD1-CD1 3.67Å; F162-L173 HydrophobicContact CB-CD1 4.23Å; F162-L173 HydrophobicContact CD2-CD1 3.82Å; F162-L173 HydrophobicContact CD2-CD2 4.12Å; F162-L173 HydrophobicContact CD2-CG 4.42Å; F162-L173 HydrophobicContact CE2-CD1 4.31Å; F162-L173 HydrophobicContact CG-CD1 4.07Å; L168-L173 HydrophobicContact CD1-CB 3.87Å; L168-L173 HydrophobicContact CD1-CD1 4.23Å; L173-D175 VanDerWaalsContact C-N 3.29Å; L173-D175 PolarHBondContact O-N 3Å; L173-Y176 HydrophobicContact CD1-CD1 4.07Å; L173-Y176 WeakPolarHBondContact O-CB 3.43Å; L173-Y176 PolarHBondContact O-N 3.42Å; L173-V177 HydrophobicContact CD1-CG2 4.22Å; L173-V177 HydrophobicContact CG-CG2 4.42Å; L173-V177 WeakPolarHBondContact O-CG2 3.39Å; L173-V177 PolarHBondContact O-N 3.3Å
174	E	96.6	Very high	95.8	Very high	70 Å²	70	73.6 Å²	73.6	33%	0.327	41%	0.407	S	S	.	.	H	α-helix	trans	-60.5	-42.1	177.6	-176.6	67.7	-151.1	0	0	110.6	S172 V177 R178 H196	S172-E174 VanDerWaalsContact C-N 3.3Å; S172-E174 PolarHBondContact OG-N 3.17Å; E174-V177 PolarHBondContact O-N 3.34Å; E174-R178 WeakPolarHBondContact O-CB 3.43Å; E174-R178 PolarHBondContact O-N 3.1Å; E174-H196 IonicContact OE2-CE1 3.92Å; E174-H196 PolarHBondContact OE2-CE1 2.92Å; E174-H196 VanDerWaalsContact OE2-CE1 3.23Å; E174-H196 IonicContact OE2-NE2 2.75Å; E174-H196 PolarHBondContact OE2-NE2 3.04Å
175	D	96.4	Very high	95.8	Very high	66 Å²	66	69 Å²	69	35%	0.353	39%	0.389	S	S	.	.	H	α-helix	trans	-67.1	-42.6	177.6	-61.7	-15.3	0	0	0	110.6	S172 L173 V177 R178 E179	S172-D175 VanDerWaalsContact CB-CG 3.5Å; S172-D175 VanDerWaalsContact CB-OD2 3.26Å; S172-D175 WeakPolarHBondContact CB-OD2 3.39Å; S172-D175 PolarHBondContact O-N 3.18Å; S172-D175 PolarHBondContact OG-N 3.11Å; L173-D175 VanDerWaalsContact C-N 3.29Å; L173-D175 PolarHBondContact O-N 3Å; D175-V177 PolarHBondContact O-N 2.72Å; D175-R178 VanDerWaalsContact CG-NH2 3.28Å; D175-R178 PolarHBondContact O-N 2.91Å; D175-R178 IonicContact OD1-CZ 3.95Å; D175-R178 IonicContact OD1-NH1 3.21Å; D175-R178 PolarHBondContact OD1-NH1 3.47Å; D175-R178 IonicContact OD1-NH2 2.8Å; D175-R178 PolarHBondContact OD1-NH2 3.33Å; D175-E179 VanDerWaalsContact O-CB 3.24Å; D175-E179 WeakPolarHBondContact O-CB 3.41Å; D175-E179 WeakPolarHBondContact O-CG 3.42Å; D175-E179 PolarHBondContact O-N 3.34Å
176	Y	97.1	Very high	95.8	Very high	64 Å²	64	67.7 Å²	67.7	25%	0.251	39%	0.391	S	S	.	.	H	α-helix	trans	-57.3	-46.5	175.7	168.3	-95.3	0	0	0	112.8	L132 G133 F162 L168 S172 L173 T180 L185	L132-Y176 HydrophobicContact CD1-CD1 3.58Å; L132-Y176 HydrophobicContact CD1-CE1 3.47Å; L132-Y176 VanDerWaalsContact CD1-CE1 3.47Å; L132-Y176 HydrophobicContact CD1-CE2 4.49Å; L132-Y176 HydrophobicContact CD1-CG 4.16Å; L132-Y176 HydrophobicContact CG-CE1 4.3Å; G133-Y176 VanDerWaalsContact CA-OH 3.26Å; G133-Y176 WeakPolarHBondContact CA-OH 3.49Å; G133-Y176 PolarHBondContact N-OH 3.26Å; F162-Y176 HydrophobicContact CE1-CE1 4.03Å; F162-Y176 HydrophobicContact CZ-CE1 4.36Å; L168-Y176 HydrophobicContact CD2-CD2 4.45Å; L168-Y176 HydrophobicContact CD2-CG 4.16Å; S172-Y176 PolarHBondContact O-N 3.29Å; S172-Y176 VanDerWaalsContact O-N 3.09Å; L173-Y176 HydrophobicContact CD1-CD1 4.07Å; L173-Y176 WeakPolarHBondContact O-CB 3.43Å; L173-Y176 PolarHBondContact O-N 3.42Å; Y176-T180 PolarHBondContact O-N 3.38Å; Y176-L185 HydrophobicContact CE1-CD2 4.3Å
177	V	96.7	Very high	95.9	Very high	4 Å²	4	71.2 Å²	71.2	2%	0.024	40%	0.401	C	S	.	.	H	α-helix	trans	-71.3	-42.6	-179.5	179.4	0	0	0	0	110.6	F162 L173 E174 D175 E179 T180 D189	F162-V177 HydrophobicContact CE2-CG2 3.61Å; F162-V177 HydrophobicContact CZ-CG2 3.78Å; L173-V177 HydrophobicContact CD1-CG2 4.22Å; L173-V177 HydrophobicContact CG-CG2 4.42Å; L173-V177 WeakPolarHBondContact O-CG2 3.39Å; L173-V177 PolarHBondContact O-N 3.3Å; E174-V177 PolarHBondContact O-N 3.34Å; D175-V177 PolarHBondContact O-N 2.72Å; V177-E179 VanDerWaalsContact C-N 3.34Å; V177-E179 PolarHBondContact O-N 2.89Å; V177-T180 WeakPolarHBondContact O-CG2 3.45Å; V177-T180 PolarHBondContact O-N 3.33Å; V177-D189 HydrophobicContact CG1-CB 3.68Å
178	R	95.3	Very high	95.9	Very high	132 Å²	132	66.9 Å²	66.9	50%	0.498	38%	0.378	S	S	.	.	H	α-helix	trans	-64.8	-36.1	179.7	-174.3	-179	66.8	-117.3	-2.6	113.1	E174 D175	E174-R178 WeakPolarHBondContact O-CB 3.43Å; E174-R178 PolarHBondContact O-N 3.1Å; D175-R178 VanDerWaalsContact CG-NH2 3.28Å; D175-R178 PolarHBondContact O-N 2.91Å; D175-R178 IonicContact OD1-CZ 3.95Å; D175-R178 IonicContact OD1-NH1 3.21Å; D175-R178 PolarHBondContact OD1-NH1 3.47Å; D175-R178 IonicContact OD1-NH2 2.8Å; D175-R178 PolarHBondContact OD1-NH2 3.33Å
179	E	95.4	Very high	96	Very high	137 Å²	137	65.9 Å²	65.9	64%	0.64	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	7.6	-175.7	-63.3	168.7	-161.4	0	0	112.7	D175 V177 N181	D175-E179 VanDerWaalsContact O-CB 3.24Å; D175-E179 WeakPolarHBondContact O-CB 3.41Å; D175-E179 WeakPolarHBondContact O-CG 3.42Å; D175-E179 PolarHBondContact O-N 3.34Å; V177-E179 VanDerWaalsContact C-N 3.34Å; V177-E179 PolarHBondContact O-N 2.89Å; E179-N181 PolarHBondContact O-N 3.15Å
180	T	95.8	Very high	96.3	Very high	30 Å²	30	65.8 Å²	65.8	18%	0.184	36%	0.362	C	S	.	.			trans	-62.5	136	-179.8	-162.8	0	0	0	0	111.7	Y176 V177 N182 L185 A186	Y176-T180 PolarHBondContact O-N 3.38Å; V177-T180 WeakPolarHBondContact O-CG2 3.45Å; V177-T180 PolarHBondContact O-N 3.33Å; T180-N182 VanDerWaalsContact C-N 3.28Å; T180-N182 PolarHBondContact OG1-N 3.35Å; T180-L185 HydrophobicContact CG2-CB 4.43Å; T180-L185 HydrophobicContact CG2-CD2 4.33Å; T180-L185 HydrophobicContact CG2-CG 4.38Å; T180-A186 HydrophobicContact CG2-CB 3.92Å
181	N	95.8	Very high	96.6	Very high	160 Å²	160	64 Å²	64	86%	0.856	33%	0.334	S	S	*	.			trans	-85.6	-2.7	169.4	64.5	-9.5	0	0	0	112.6	E179 Q183	E179-N181 PolarHBondContact O-N 3.15Å; N181-Q183 PolarHBondContact O-N 3.07Å
182	N	97	Very high	96.7	Very high	43 Å²	43	62 Å²	62	23%	0.23	31%	0.313	C	S	.	.			trans	-83.1	98.8	176.3	-172.5	-37.8	0	0	0	109.8	F135 T180 A184 L185 A186	F135-N182 PolarHBondContact O-ND2 3.28Å; T180-N182 VanDerWaalsContact C-N 3.28Å; T180-N182 PolarHBondContact OG1-N 3.35Å; N182-A184 VanDerWaalsContact C-N 3.25Å; N182-A184 PolarHBondContact O-N 3.28Å; N182-A184 PolarHBondContact OD1-N 3.26Å; N182-L185 HydrophobicContact CB-CB 3.97Å; N182-L185 PolarHBondContact O-N 3.07Å; N182-L185 VanDerWaalsContact O-N 3.12Å; N182-L185 PolarHBondContact OD1-N 2.97Å; N182-A186 PolarHBondContact O-N 3.37Å
183	Q	96.8	Very high	96.8	Very high	170 Å²	170	62.1 Å²	62.1	79%	0.794	32%	0.318	S	S	*	.	H	α-helix	trans	-59.2	-35.4	-177	-65.6	-177.1	-1	0	0	113.1	N181 A186 W187	N181-Q183 PolarHBondContact O-N 3.07Å; Q183-A186 PolarHBondContact O-N 3.44Å; Q183-W187 WeakPolarHBondContact O-CB 3.3Å; Q183-W187 PolarHBondContact O-N 2.92Å
184	A	96.9	Very high	96.8	Very high	23 Å²	23	68.1 Å²	68.1	19%	0.19	34%	0.339	C	S	.	.	H	α-helix	trans	-67.9	-38.9	178.5	0	0	0	0	0	111.7	F135 Q140 N182 L188	F135-A184 HydrophobicContact CD1-CB 4.45Å; F135-A184 HydrophobicContact CE1-CB 3.92Å; Q140-A184 HydrophobicContact CG-CB 3.76Å; N182-A184 VanDerWaalsContact C-N 3.25Å; N182-A184 PolarHBondContact O-N 3.28Å; N182-A184 PolarHBondContact OD1-N 3.26Å; A184-L188 WeakPolarHBondContact O-CB 3.45Å; A184-L188 PolarHBondContact O-N 3.19Å
185	L	97.7	Very high	96.8	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-44.7	173.7	177.4	59.2	0	0	0	111.6	F135 L160 F162 Y176 T180 N182 W187 L188 D189	F135-L185 HydrophobicContact CB-CB 4.33Å; F135-L185 HydrophobicContact CB-CD2 4.38Å; F135-L185 HydrophobicContact CD1-CB 3.82Å; F135-L185 HydrophobicContact CD2-CD1 3.99Å; F135-L185 HydrophobicContact CE1-CB 4.29Å; F135-L185 HydrophobicContact CE2-CD1 4.29Å; F135-L185 HydrophobicContact CG-CB 4.01Å; F135-L185 HydrophobicContact CG-CD1 4.16Å; L160-L185 HydrophobicContact CD2-CD1 3.63Å; F162-L185 HydrophobicContact CE1-CD1 4.22Å; F162-L185 HydrophobicContact CE1-CD2 4.16Å; F162-L185 HydrophobicContact CZ-CD1 3.77Å; F162-L185 HydrophobicContact CZ-CD2 4.07Å; F162-L185 HydrophobicContact CZ-CG 4.48Å; Y176-L185 HydrophobicContact CE1-CD2 4.3Å; T180-L185 HydrophobicContact CG2-CB 4.43Å; T180-L185 HydrophobicContact CG2-CD2 4.33Å; T180-L185 HydrophobicContact CG2-CG 4.38Å; N182-L185 HydrophobicContact CB-CB 3.97Å; N182-L185 PolarHBondContact O-N 3.07Å; N182-L185 VanDerWaalsContact O-N 3.12Å; N182-L185 PolarHBondContact OD1-N 2.97Å; L185-W187 VanDerWaalsContact C-N 3.33Å; L185-W187 PolarHBondContact O-N 3.31Å; L185-L188 PolarHBondContact O-N 3.19Å; L185-D189 PolarHBondContact O-N 3.36Å
186	A	97.4	Very high	96.9	Very high	37 Å²	37	62.8 Å²	62.8	31%	0.306	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-42.8	177.7	0	0	0	0	0	111.9	T180 N182 Q183 V190	T180-A186 HydrophobicContact CG2-CB 3.92Å; N182-A186 PolarHBondContact O-N 3.37Å; Q183-A186 PolarHBondContact O-N 3.44Å; A186-V190 WeakPolarHBondContact O-CG2 3.42Å; A186-V190 PolarHBondContact O-N 3.12Å
187	W	96.9	Very high	96.9	Very high	143 Å²	143	59.7 Å²	59.7	54%	0.542	30%	0.299	S	S	.	.	H	α-helix	trans	-62.3	-45.4	174.4	174.2	86.1	0	0	0	111.9	V143 Q183 L185 D189 V190 T191	V143-W187 HydrophobicContact CG1-CZ3 4.47Å; Q183-W187 WeakPolarHBondContact O-CB 3.3Å; Q183-W187 PolarHBondContact O-N 2.92Å; L185-W187 VanDerWaalsContact C-N 3.33Å; L185-W187 PolarHBondContact O-N 3.31Å; W187-D189 PolarHBondContact O-N 2.95Å; W187-V190 PolarHBondContact O-N 3.06Å; W187-T191 HydrophobicContact CH2-CG2 4.22Å; W187-T191 HydrophobicContact CZ2-CG2 4.3Å; W187-T191 WeakPolarHBondContact O-CB 3.46Å; W187-T191 PolarHBondContact O-N 3Å; W187-T191 PolarHBondContact O-OG1 3.33Å
188	L	97.6	Very high	97	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-44.7	179.5	178.8	63.1	0	0	0	111.2	L128 F135 V143 L160 A184 L185 V190 T191 L192	L128-L188 HydrophobicContact CD2-CD2 4.06Å; F135-L188 HydrophobicContact CE2-CD2 3.68Å; F135-L188 HydrophobicContact CZ-CD2 3.68Å; V143-L188 HydrophobicContact CG1-CD1 3.87Å; V143-L188 HydrophobicContact CG2-CD1 3.97Å; V143-L188 HydrophobicContact CG2-CD2 3.76Å; L160-L188 HydrophobicContact CD1-CD2 4.1Å; L160-L188 HydrophobicContact CD2-CD2 4.29Å; A184-L188 WeakPolarHBondContact O-CB 3.45Å; A184-L188 PolarHBondContact O-N 3.19Å; L185-L188 PolarHBondContact O-N 3.19Å; L188-V190 PolarHBondContact O-N 3.42Å; L188-T191 WeakPolarHBondContact O-CB 3.39Å; L188-T191 PolarHBondContact O-N 3.03Å; L188-T191 VanDerWaalsContact O-N 3.15Å; L188-L192 HydrophobicContact CD1-CD1 3.85Å; L188-L192 HydrophobicContact CD1-CG 3.92Å; L188-L192 HydrophobicContact CG-CD1 3.95Å; L188-L192 HydrophobicContact CG-CG 4.3Å; L188-L192 WeakPolarHBondContact O-CB 3.16Å; L188-L192 WeakPolarHBondContact O-CG 3.4Å; L188-L192 PolarHBondContact O-N 3.22Å
189	D	97.5	Very high	97.1	Very high	9 Å²	9	53.3 Å²	53.3	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-58.7	-46.8	179.7	-177.9	60.4	0	0	0	111.9	V177 L185 W187 T191 L192 A193 R194 H196	V177-D189 HydrophobicContact CG1-CB 3.68Å; L185-D189 PolarHBondContact O-N 3.36Å; W187-D189 PolarHBondContact O-N 2.95Å; D189-T191 VanDerWaalsContact C-N 3.34Å; D189-T191 PolarHBondContact O-N 3.07Å; D189-L192 CarbonylContact O-C 3.59Å; D189-L192 PolarHBondContact O-N 2.98Å; D189-A193 PolarHBondContact O-N 3.38Å; D189-R194 WeakPolarHBondContact O-CA 3.39Å; D189-R194 PolarHBondContact O-N 3.29Å; D189-R194 WeakPolarHBondContact OD1-CA 3.29Å; D189-H196 IonicContact OD1-CE1 2.79Å; D189-H196 IonicContact OD1-CG 3.14Å; D189-H196 IonicContact OD1-ND1 2.69Å; D189-H196 PolarHBondContact OD1-ND1 2.89Å; D189-H196 IonicContact OD2-ND1 3.3Å
190	V	97.3	Very high	97.2	Very high	95 Å²	95	47.7 Å²	47.7	58%	0.576	25%	0.249	S	C	*	.	H	α-helix	trans	-62.6	-42.4	174.8	174	0	0	0	0	111.3	A186 W187 L188 L192 A193	A186-V190 WeakPolarHBondContact O-CG2 3.42Å; A186-V190 PolarHBondContact O-N 3.12Å; W187-V190 PolarHBondContact O-N 3.06Å; L188-V190 PolarHBondContact O-N 3.42Å; V190-L192 PolarHBondContact O-N 3.18Å; V190-A193 WeakPolarHBondContact O-CA 3.15Å; V190-A193 PolarHBondContact O-N 3.4Å
191	T	96.9	Very high	97.3	Very high	50 Å²	50	48.1 Å²	48.1	31%	0.307	25%	0.25	S	S	.	.	H	α-helix	trans	-62.4	-34.2	178.9	-58.3	0	0	0	0	112	L155 W187 L188 D189 A193	L155-T191 HydrophobicContact CD1-CG2 3.79Å; W187-T191 HydrophobicContact CH2-CG2 4.22Å; W187-T191 HydrophobicContact CZ2-CG2 4.3Å; W187-T191 WeakPolarHBondContact O-CB 3.46Å; W187-T191 PolarHBondContact O-N 3Å; W187-T191 PolarHBondContact O-OG1 3.33Å; L188-T191 WeakPolarHBondContact O-CB 3.39Å; L188-T191 PolarHBondContact O-N 3.03Å; L188-T191 VanDerWaalsContact O-N 3.15Å; D189-T191 VanDerWaalsContact C-N 3.34Å; D189-T191 PolarHBondContact O-N 3.07Å; T191-A193 PolarHBondContact O-N 2.85Å
192	L	97.7	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	18.7	174.4	-61	-176.8	0	0	0	112.8	L155 T158 L160 L188 D189 V190 R194 R195	L155-L192 HydrophobicContact CB-CD2 3.98Å; L155-L192 HydrophobicContact CD2-CD2 4.11Å; L155-L192 WeakPolarHBondContact O-CD2 3.45Å; T158-L192 HydrophobicContact CG2-CD1 3.97Å; T158-L192 HydrophobicContact CG2-CD2 3.93Å; L160-L192 HydrophobicContact CB-CD1 3.93Å; L188-L192 HydrophobicContact CD1-CD1 3.85Å; L188-L192 HydrophobicContact CD1-CG 3.92Å; L188-L192 HydrophobicContact CG-CD1 3.95Å; L188-L192 HydrophobicContact CG-CG 4.3Å; L188-L192 WeakPolarHBondContact O-CB 3.16Å; L188-L192 WeakPolarHBondContact O-CG 3.4Å; L188-L192 PolarHBondContact O-N 3.22Å; D189-L192 CarbonylContact O-C 3.59Å; D189-L192 PolarHBondContact O-N 2.98Å; V190-L192 PolarHBondContact O-N 3.18Å; L192-R194 PolarHBondContact O-N 3.1Å; L192-R195 VanDerWaalsContact O-CB 3.23Å; L192-R195 WeakPolarHBondContact O-CB 3.29Å; L192-R195 VanDerWaalsContact O-CG 3.29Å; L192-R195 WeakPolarHBondContact O-CG 3.41Å; L192-R195 PolarHBondContact O-N 2.96Å; L192-R195 PolarHBondContact O-NE 3.19Å; L192-R195 VanDerWaalsContact O-NE 3.14Å; L192-R195 PolarHBondContact O-NH2 2.91Å
193	A	96.9	Very high	97.3	Very high	55 Å²	55	48.3 Å²	48.3	46%	0.455	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	39.1	-178.8	0	0	0	0	0	113.6	D189 V190 T191 R195	D189-A193 PolarHBondContact O-N 3.38Å; V190-A193 WeakPolarHBondContact O-CA 3.15Å; V190-A193 PolarHBondContact O-N 3.4Å; T191-A193 PolarHBondContact O-N 2.85Å; A193-R195 PolarHBondContact O-N 3.4Å
194	R	97	Very high	97.3	Very high	141 Å²	141	48 Å²	48	53%	0.532	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	25	-177.8	-52.8	-170.4	169	167.6	-2.1	114.2	D189 L192 H196	D189-R194 WeakPolarHBondContact O-CA 3.39Å; D189-R194 PolarHBondContact O-N 3.29Å; D189-R194 WeakPolarHBondContact OD1-CA 3.29Å; L192-R194 PolarHBondContact O-N 3.1Å; R194-H196 VanDerWaalsContact C-N 3.28Å; R194-H196 PolarHBondContact O-N 2.94Å; R194-H196 PolarHBondContact O-ND1 3.44Å
195	R	97.7	Very high	97.2	Very high	18 Å²	18	49.2 Å²	49.2	7%	0.068	25%	0.25	C	C	.	.			trans	-80.3	78.4	172.9	-62.6	-179.5	-64.8	-97.9	-8.2	109.6	L155 T158 I159 L160 L192 A193 E225	L155-R195 PolarHBondContact O-NH2 3.21Å; L155-R195 VanDerWaalsContact O-NH2 3.16Å; T158-R195 PolarHBondContact O-NE 3.25Å; I159-R195 CarbonylContact C-O 3.52Å; I159-R195 WeakPolarHBondContact CA-O 2.85Å; I159-R195 HydrophobicContact CG1-CB 4.44Å; I159-R195 WeakPolarHBondContact CG2-O 3.46Å; L160-R195 PolarHBondContact N-O 2.82Å; L192-R195 VanDerWaalsContact O-CB 3.23Å; L192-R195 WeakPolarHBondContact O-CB 3.29Å; L192-R195 VanDerWaalsContact O-CG 3.29Å; L192-R195 WeakPolarHBondContact O-CG 3.41Å; L192-R195 PolarHBondContact O-N 2.96Å; L192-R195 PolarHBondContact O-NE 3.19Å; L192-R195 VanDerWaalsContact O-NE 3.14Å; L192-R195 PolarHBondContact O-NH2 2.91Å; A193-R195 PolarHBondContact O-N 3.4Å; R195-E225 IonicContact CZ-OE2 2.66Å; R195-E225 IonicContact NH1-OE2 3.14Å; R195-E225 PolarHBondContact NH1-OE2 2.9Å
196	H	97.8	Very high	97.2	Very high	5 Å²	5	56.4 Å²	56.4	2%	0.023	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.8	170.8	62.7	-99.2	0	0	0	112.4	L160 F162 E174 D189 R194 K218	L160-H196 HydrophobicContact CB-CB 4.03Å; L160-H196 CarbonylContact O-C 3.55Å; L160-H196 WeakPolarHBondContact O-CA 3.41Å; F162-H196 HydrophobicContact CD2-CB 4.33Å; F162-H196 HydrophobicContact CE2-CB 3.93Å; E174-H196 IonicContact OE2-CE1 3.92Å; E174-H196 PolarHBondContact OE2-CE1 2.92Å; E174-H196 VanDerWaalsContact OE2-CE1 3.23Å; E174-H196 IonicContact OE2-NE2 2.75Å; E174-H196 PolarHBondContact OE2-NE2 3.04Å; D189-H196 IonicContact OD1-CE1 2.79Å; D189-H196 IonicContact OD1-CG 3.14Å; D189-H196 IonicContact OD1-ND1 2.69Å; D189-H196 PolarHBondContact OD1-ND1 2.89Å; D189-H196 IonicContact OD2-ND1 3.3Å; R194-H196 VanDerWaalsContact C-N 3.28Å; R194-H196 PolarHBondContact O-N 2.94Å; R194-H196 PolarHBondContact O-ND1 3.44Å; H196-K218 WeakPolarHBondContact O-CE 3.45Å; H196-K218 PolarHBondContact O-NZ 3.04Å
197	C	97.5	Very high	97.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.2	173.5	65.1	0	0	0	0	111.9	L160 F162 E214 K218	L160-C197 PolarHBondContact O-N 2.85Å; F162-C197 PolarHBondContact N-O 2.88Å; C197-E214 HydrophobicContact CB-CG 4.44Å; C197-E214 WeakPolarHBondContact CB-OE1 3.38Å; C197-K218 HydrophobicContact CB-CD 4.09Å
198	G	97.6	Very high	97.2	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.7	-176.9	0	0	0	0	0	112.6	F162	F162-G198 CarbonylContact O-C 3.53Å; F162-G198 WeakPolarHBondContact O-CA 3.29Å
199	F	98.4	Very high	97.2	Very high	1 Å²	1	56 Å²	56	0%	0.004	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.2	175.4	-89.3	-110.3	0	0	0	111.7	T56 I60 V161 F162 T163 R164 K165 Q211 L215	T56-F199 HydrophobicContact CG2-CD1 4.17Å; T56-F199 HydrophobicContact CG2-CE1 4.45Å; T56-F199 HydrophobicContact CG2-CG 4.36Å; I60-F199 HydrophobicContact CG1-CE1 3.97Å; I60-F199 HydrophobicContact CG1-CZ 4.12Å; V161-F199 HydrophobicContact CG1-CB 4.31Å; V161-F199 HydrophobicContact CG1-CD2 3.74Å; V161-F199 HydrophobicContact CG1-CE2 4.44Å; V161-F199 HydrophobicContact CG1-CG 4.21Å; F162-F199 PolarHBondContact O-N 3.35Å; T163-F199 CarbonylContact C-O 3.48Å; T163-F199 WeakPolarHBondContact CA-O 3.45Å; R164-F199 PolarHBondContact N-O 2.93Å; K165-F199 PolarHBondContact N-O 3.38Å; F199-Q211 HydrophobicContact CD1-CB 4.45Å; F199-Q211 HydrophobicContact CE1-CB 4.21Å; F199-Q211 HydrophobicContact CE2-CB 4.31Å; F199-Q211 HydrophobicContact CZ-CB 4.13Å; F199-L215 HydrophobicContact CE2-CB 4.05Å; F199-L215 HydrophobicContact CE2-CD2 4.22Å; F199-L215 HydrophobicContact CZ-CB 4.14Å; F199-L215 HydrophobicContact CZ-CD2 3.9Å
200	N	97.9	Very high	97.2	Very high	19 Å²	19	57.8 Å²	57.8	10%	0.102	30%	0.297	C	S	.	.			trans	-83.1	101.4	154.1	173.7	6.2	0	0	0	107.1	K165 E166 R202 A203 E207 Q211	K165-N200 HydrophobicContact CB-CB 4.17Å; E166-N200 WeakPolarHBondContact OE2-CB 3.49Å; E166-N200 PolarHBondContact OE2-OD1 3.41Å; N200-R202 PolarHBondContact O-N 2.7Å; N200-R202 VanDerWaalsContact O-N 3.14Å; N200-R202 WeakPolarHBondContact OD1-CA 3.48Å; N200-R202 WeakPolarHBondContact OD1-CB 3.28Å; N200-R202 PolarHBondContact OD1-N 2.87Å; N200-A203 HydrophobicContact CB-CB 4.15Å; N200-A203 WeakPolarHBondContact O-CB 3.5Å; N200-A203 PolarHBondContact O-N 3.45Å; N200-A203 VanDerWaalsContact O-N 3.11Å; N200-A203 PolarHBondContact OD1-N 2.83Å; N200-E207 PolarHBondContact ND2-OE1 2.87Å; N200-Q211 PolarHBondContact O-NE2 2.86Å; N200-Q211 VanDerWaalsContact O-NE2 3.1Å
201	N	97.8	Very high	97.2	Very high	39 Å²	39	53.4 Å²	53.4	21%	0.209	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	2.5	-179.1	-70.5	-31.3	0	0	0	113.2	A55 T56 S59	A55-N201 HydrophobicContact CB-CB 3.86Å; A55-N201 WeakPolarHBondContact CB-ND2 3.47Å; T56-N201 VanDerWaalsContact CA-OD1 3.28Å; T56-N201 WeakPolarHBondContact CA-OD1 3.15Å; T56-N201 PolarHBondContact N-ND2 2.8Å; T56-N201 PolarHBondContact N-OD1 2.9Å; T56-N201 PolarHBondContact OG1-ND2 2.92Å; T56-N201 VanDerWaalsContact OG1-ND2 3.11Å; T56-N201 PolarHBondContact OG1-OD1 3.23Å; S59-N201 WeakPolarHBondContact OG-CA 3.45Å; S59-N201 PolarHBondContact OG-OD1 2.64Å; S59-N201 VanDerWaalsContact OG-OD1 3.13Å
202	R	95.9	Very high	97.3	Very high	202 Å²	202	51.1 Å²	51.1	76%	0.762	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	-7.4	171.9	-57.2	173.5	174.6	174.9	-1	112.1	N200	N200-R202 PolarHBondContact O-N 2.7Å; N200-R202 VanDerWaalsContact O-N 3.14Å; N200-R202 WeakPolarHBondContact OD1-CA 3.48Å; N200-R202 WeakPolarHBondContact OD1-CB 3.28Å; N200-R202 PolarHBondContact OD1-N 2.87Å
203	A	96.6	Very high	97.3	Very high	5 Å²	5	57.1 Å²	57.1	4%	0.041	28%	0.279	C	S	.	.			trans	-60.6	144.2	175.7	0	0	0	0	0	110.7	N200 E207 Q208	N200-A203 HydrophobicContact CB-CB 4.15Å; N200-A203 WeakPolarHBondContact O-CB 3.5Å; N200-A203 PolarHBondContact O-N 3.45Å; N200-A203 VanDerWaalsContact O-N 3.11Å; N200-A203 PolarHBondContact OD1-N 2.83Å; A203-E207 HydrophobicContact CB-CB 4.01Å; A203-E207 VanDerWaalsContact CB-CD 3.48Å; A203-E207 HydrophobicContact CB-CG 3.68Å; A203-Q208 HydrophobicContact CB-CB 4.39Å
204	Q	95.9	Very high	97.3	Very high	164 Å²	164	57.1 Å²	57.1	77%	0.766	27%	0.27	S	S	*	.			trans	-133.3	159.4	176.1	-65.1	-171.1	-24.5	0	0	110	E206	Q204-E206 PolarHBondContact O-N 3.5Å
205	G	96	Very high	97.4	Very high	48 Å²	48	50.4 Å²	50.4	50%	0.495	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-134	176.7	0	0	0	0	0	112.8	E207 Q208 E209	G205-E207 VanDerWaalsContact C-N 3.32Å; G205-E207 PolarHBondContact O-N 3.05Å; G205-Q208 WeakPolarHBondContact O-CB 3.26Å; G205-Q208 PolarHBondContact O-N 2.97Å; G205-Q208 VanDerWaalsContact O-N 3.14Å; G205-E209 PolarHBondContact O-N 2.77Å; G205-E209 VanDerWaalsContact O-N 3.08Å
206	E	96.6	Very high	97.4	Very high	153 Å²	153	49.7 Å²	49.7	72%	0.715	24%	0.242	S	C	*	.	H	α-helix	trans	-58.8	-37.5	-174.8	-71.4	-66.2	155.7	0	0	113.5	Q204 Q208 E209 A210	Q204-E206 PolarHBondContact O-N 3.5Å; E206-Q208 PolarHBondContact O-N 2.66Å; E206-E209 PolarHBondContact O-N 3.22Å; E206-A210 VanDerWaalsContact O-CB 3.27Å; E206-A210 WeakPolarHBondContact O-CB 3.43Å; E206-A210 PolarHBondContact O-N 2.77Å
207	E	96.3	Very high	97.3	Very high	99 Å²	99	55.1 Å²	55.1	46%	0.463	27%	0.267	S	S	.	.	H	α-helix	trans	-64.5	-42	177.7	-174.6	-172.3	161.5	0	0	111	N200 A203 G205 A210 Q211	N200-E207 PolarHBondContact ND2-OE1 2.87Å; A203-E207 HydrophobicContact CB-CB 4.01Å; A203-E207 VanDerWaalsContact CB-CD 3.48Å; A203-E207 HydrophobicContact CB-CG 3.68Å; G205-E207 VanDerWaalsContact C-N 3.32Å; G205-E207 PolarHBondContact O-N 3.05Å; E207-A210 PolarHBondContact O-N 3.44Å; E207-Q211 WeakPolarHBondContact O-CG 3.37Å; E207-Q211 PolarHBondContact O-N 2.99Å; E207-Q211 VanDerWaalsContact O-N 3.11Å
208	Q	97.6	Very high	97.3	Very high	32 Å²	32	57.1 Å²	57.1	15%	0.15	28%	0.276	C	S	.	.	H	α-helix	trans	-63.7	-45.6	177.5	-176.8	179.7	54.4	0	0	111.4	A203 G205 E206 A210 Q211 L212	A203-Q208 HydrophobicContact CB-CB 4.39Å; G205-Q208 WeakPolarHBondContact O-CB 3.26Å; G205-Q208 PolarHBondContact O-N 2.97Å; G205-Q208 VanDerWaalsContact O-N 3.14Å; E206-Q208 PolarHBondContact O-N 2.66Å; Q208-A210 VanDerWaalsContact C-N 3.35Å; Q208-Q211 PolarHBondContact O-N 3.12Å; Q208-L212 PolarHBondContact O-N 2.81Å; Q208-L212 VanDerWaalsContact O-N 3.15Å
209	E	97.5	Very high	97.3	Very high	42 Å²	42	57.1 Å²	57.1	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-67.6	-33.8	178.2	-71.3	-62.6	151.5	0	0	112.4	R84 W86 G205 E206 L212 R213	R84-E209 IonicContact CZ-OE1 3.95Å; R84-E209 VanDerWaalsContact CZ-OE1 3.24Å; R84-E209 IonicContact NH1-OE1 3.63Å; R84-E209 PolarHBondContact NH1-OE1 2.46Å; R84-E209 IonicContact NH2-OE1 2.7Å; R84-E209 PolarHBondContact NH2-OE1 2.96Å; R84-E209 IonicContact NH2-OE2 2.65Å; W86-E209 PolarHBondContact NE1-OE2 3.23Å; G205-E209 PolarHBondContact O-N 2.77Å; G205-E209 VanDerWaalsContact O-N 3.08Å; E206-E209 PolarHBondContact O-N 3.22Å; E209-L212 PolarHBondContact O-N 3.07Å; E209-R213 PolarHBondContact O-N 3.44Å
210	A	97.6	Very high	97.2	Very high	46 Å²	46	61 Å²	61	38%	0.38	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-42.4	174.7	0	0	0	0	0	112.1	E206 E207 Q208 L212 R213 E214	E206-A210 VanDerWaalsContact O-CB 3.27Å; E206-A210 WeakPolarHBondContact O-CB 3.43Å; E206-A210 PolarHBondContact O-N 2.77Å; E207-A210 PolarHBondContact O-N 3.44Å; Q208-A210 VanDerWaalsContact C-N 3.35Å; A210-L212 VanDerWaalsContact C-N 3.31Å; A210-L212 PolarHBondContact O-N 3.13Å; A210-R213 PolarHBondContact O-N 3.07Å; A210-E214 PolarHBondContact O-N 3.17Å
211	Q	97.9	Very high	97.1	Very high	3 Å²	3	61.9 Å²	61.9	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-39.1	174.7	-67.3	177.5	155.9	0	0	112	F199 N200 E207 Q208 L215	F199-Q211 HydrophobicContact CD1-CB 4.45Å; F199-Q211 HydrophobicContact CE1-CB 4.21Å; F199-Q211 HydrophobicContact CE2-CB 4.31Å; F199-Q211 HydrophobicContact CZ-CB 4.13Å; N200-Q211 PolarHBondContact O-NE2 2.86Å; N200-Q211 VanDerWaalsContact O-NE2 3.1Å; E207-Q211 WeakPolarHBondContact O-CG 3.37Å; E207-Q211 PolarHBondContact O-N 2.99Å; E207-Q211 VanDerWaalsContact O-N 3.11Å; Q208-Q211 PolarHBondContact O-N 3.12Å; Q211-L215 PolarHBondContact O-N 2.82Å
212	L	98.1	Very high	97	Very high	1 Å²	1	60 Å²	60	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-43	174.7	179.6	53.8	0	0	0	110.9	I60 W86 L91 Q208 E209 A210 E214 L215 M216	I60-L212 HydrophobicContact CB-CD1 4.46Å; I60-L212 HydrophobicContact CG1-CD1 4.37Å; I60-L212 HydrophobicContact CG2-CD1 3.96Å; W86-L212 VanDerWaalsContact CD1-CD2 3.41Å; W86-L212 HydrophobicContact CD2-CD2 4.2Å; W86-L212 HydrophobicContact CD2-CG 4.49Å; W86-L212 HydrophobicContact CG-CD2 3.95Å; W86-L212 HydrophobicContact CZ2-CG 4.26Å; W86-L212 VanDerWaalsContact NE1-CD2 3.34Å; L91-L212 HydrophobicContact CD2-CD1 4.08Å; Q208-L212 PolarHBondContact O-N 2.81Å; Q208-L212 VanDerWaalsContact O-N 3.15Å; E209-L212 PolarHBondContact O-N 3.07Å; A210-L212 VanDerWaalsContact C-N 3.31Å; A210-L212 PolarHBondContact O-N 3.13Å; L212-E214 PolarHBondContact O-N 3.36Å; L212-L215 HydrophobicContact CD1-CD2 4.29Å; L212-L215 WeakPolarHBondContact O-CB 3.39Å; L212-L215 PolarHBondContact O-N 3.3Å; L212-M216 HydrophobicContact CD1-CG 3.93Å; L212-M216 HydrophobicContact CD1-SD 4.04Å; L212-M216 HydrophobicContact CG-CG 4.27Å; L212-M216 VanDerWaalsContact O-CG 3.26Å; L212-M216 WeakPolarHBondContact O-CG 3.28Å; L212-M216 PolarHBondContact O-N 2.78Å
213	R	98.1	Very high	97	Very high	127 Å²	127	50.8 Å²	50.8	48%	0.479	26%	0.259	S	S	.	.	H	α-helix	trans	-58.6	-47.1	176.4	-165.7	178.9	-58.8	137.2	7.1	112	W86 E209 A210 L215 M216 E217	W86-R213 HydrophobicContact CZ2-CB 4.43Å; E209-R213 PolarHBondContact O-N 3.44Å; A210-R213 PolarHBondContact O-N 3.07Å; R213-L215 VanDerWaalsContact C-N 3.3Å; R213-L215 PolarHBondContact O-N 2.98Å; R213-M216 PolarHBondContact O-N 2.78Å; R213-M216 VanDerWaalsContact O-N 3.1Å; R213-E217 WeakPolarHBondContact O-CG 3.35Å; R213-E217 PolarHBondContact O-N 2.75Å
214	E	97.7	Very high	96.9	Very high	55 Å²	55	59.3 Å²	59.3	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-58	-41.1	175.6	-171.1	-167.1	146.2	0	0	111.9	K165 C197 A210 L212	K165-E214 IonicContact NZ-OE2 2.82Å; K165-E214 PolarHBondContact NZ-OE2 2.78Å; C197-E214 HydrophobicContact CB-CG 4.44Å; C197-E214 WeakPolarHBondContact CB-OE1 3.38Å; A210-E214 PolarHBondContact O-N 3.17Å; L212-E214 PolarHBondContact O-N 3.36Å
215	L	98.4	Very high	96.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-45.7	173.9	173.2	64.5	0	0	0	111.7	L43 I60 L127 I159 F199 Q211 L212 R213 E217 K218 V219	L43-L215 HydrophobicContact CD1-CD2 4.33Å; I60-L215 HydrophobicContact CD1-CD2 3.66Å; I60-L215 HydrophobicContact CG1-CD2 3.9Å; L127-L215 HydrophobicContact CD1-CD1 4.28Å; L127-L215 HydrophobicContact CD1-CD2 3.91Å; L127-L215 HydrophobicContact CD2-CD1 3.73Å; I159-L215 HydrophobicContact CD1-CD1 3.88Å; I159-L215 HydrophobicContact CG2-CD1 4.26Å; F199-L215 HydrophobicContact CE2-CB 4.05Å; F199-L215 HydrophobicContact CE2-CD2 4.22Å; F199-L215 HydrophobicContact CZ-CB 4.14Å; F199-L215 HydrophobicContact CZ-CD2 3.9Å; Q211-L215 PolarHBondContact O-N 2.82Å; L212-L215 HydrophobicContact CD1-CD2 4.29Å; L212-L215 WeakPolarHBondContact O-CB 3.39Å; L212-L215 PolarHBondContact O-N 3.3Å; R213-L215 VanDerWaalsContact C-N 3.3Å; R213-L215 PolarHBondContact O-N 2.98Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-E217 PolarHBondContact O-N 2.79Å; L215-K218 WeakPolarHBondContact O-CB 3.44Å; L215-K218 PolarHBondContact O-N 3.49Å; L215-K218 VanDerWaalsContact O-N 3.13Å; L215-V219 HydrophobicContact CD1-CG2 4.5Å; L215-V219 WeakPolarHBondContact O-CG2 3.43Å; L215-V219 PolarHBondContact O-N 2.82Å; L215-V219 VanDerWaalsContact O-N 3.07Å
216	M	97.6	Very high	96.7	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.015	27%	0.267	C	S	.	.	H	α-helix	trans	-66.5	-33.3	-176.7	-66.5	-46.6	-61.3	0	0	112.4	L41 W86 L91 L212 R213 K218 V219 E220	L41-M216 HydrophobicContact CD1-CE 3.29Å; W86-M216 HydrophobicContact CE3-CG 4.12Å; W86-M216 HydrophobicContact CH2-CB 3.95Å; W86-M216 HydrophobicContact CH2-CG 3.77Å; W86-M216 HydrophobicContact CZ2-CG 4.38Å; W86-M216 HydrophobicContact CZ3-CB 3.98Å; W86-M216 HydrophobicContact CZ3-CG 3.63Å; L91-M216 HydrophobicContact CD1-CE 4.22Å; L91-M216 HydrophobicContact CD1-SD 4.21Å; L91-M216 HydrophobicContact CD2-SD 4.35Å; L212-M216 HydrophobicContact CD1-CG 3.93Å; L212-M216 HydrophobicContact CD1-SD 4.04Å; L212-M216 HydrophobicContact CG-CG 4.27Å; L212-M216 VanDerWaalsContact O-CG 3.26Å; L212-M216 WeakPolarHBondContact O-CG 3.28Å; L212-M216 PolarHBondContact O-N 2.78Å; R213-M216 PolarHBondContact O-N 2.78Å; R213-M216 VanDerWaalsContact O-N 3.1Å; M216-K218 VanDerWaalsContact C-N 3.26Å; M216-K218 PolarHBondContact O-N 3.17Å; M216-V219 HydrophobicContact CE-CB 4.28Å; M216-V219 HydrophobicContact CE-CG1 4.3Å; M216-V219 PolarHBondContact O-N 3.19Å; M216-V219 HydrophobicContact SD-CG2 4.43Å; M216-E220 WeakPolarHBondContact O-CB 3.32Å; M216-E220 WeakPolarHBondContact O-CG 3.35Å; M216-E220 PolarHBondContact O-N 2.93Å
217	E	97.2	Very high	96.4	Very high	118 Å²	118	56.9 Å²	56.9	55%	0.551	27%	0.268	S	S	*	.	H	α-helix	trans	-56.9	-41	171.4	-72.5	168.4	-170.2	0	0	111.6	R213 L215 E220 A221	R213-E217 WeakPolarHBondContact O-CG 3.35Å; R213-E217 PolarHBondContact O-N 2.75Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-E217 PolarHBondContact O-N 2.79Å; E217-E220 PolarHBondContact O-N 3.15Å; E217-A221 PolarHBondContact O-N 3.26Å
218	K	97.8	Very high	95.9	Very high	43 Å²	43	53.4 Å²	53.4	19%	0.187	26%	0.259	C	S	.	.	H	α-helix	trans	-72.1	-35.5	176.7	-67.3	169.9	-167.6	-83.3	0	112.5	I159 H196 C197 L215 M216 E220 A221 I222	I159-K218 HydrophobicContact CD1-CB 3.71Å; I159-K218 HydrophobicContact CG1-CB 4.3Å; I159-K218 HydrophobicContact CG2-CD 4.17Å; H196-K218 WeakPolarHBondContact O-CE 3.45Å; H196-K218 PolarHBondContact O-NZ 3.04Å; C197-K218 HydrophobicContact CB-CD 4.09Å; L215-K218 WeakPolarHBondContact O-CB 3.44Å; L215-K218 PolarHBondContact O-N 3.49Å; L215-K218 VanDerWaalsContact O-N 3.13Å; M216-K218 VanDerWaalsContact C-N 3.26Å; M216-K218 PolarHBondContact O-N 3.17Å; K218-E220 VanDerWaalsContact C-N 3.33Å; K218-A221 PolarHBondContact O-N 2.64Å; K218-I222 WeakPolarHBondContact O-CG1 3.37Å; K218-I222 PolarHBondContact O-N 3.44Å
219	V	97.2	Very high	95.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-40.8	173.3	176.7	0	0	0	0	110.4	L43 A125 I159 L215 M216 I222 M223	L43-V219 HydrophobicContact CD2-CG1 4.34Å; L43-V219 HydrophobicContact CD2-CG2 3.9Å; A125-V219 HydrophobicContact CB-CG1 4.41Å; A125-V219 HydrophobicContact CB-CG2 3.93Å; I159-V219 HydrophobicContact CD1-CG2 3.69Å; L215-V219 HydrophobicContact CD1-CG2 4.5Å; L215-V219 WeakPolarHBondContact O-CG2 3.43Å; L215-V219 PolarHBondContact O-N 2.82Å; L215-V219 VanDerWaalsContact O-N 3.07Å; M216-V219 HydrophobicContact CE-CB 4.28Å; M216-V219 HydrophobicContact CE-CG1 4.3Å; M216-V219 PolarHBondContact O-N 3.19Å; M216-V219 HydrophobicContact SD-CG2 4.43Å; V219-I222 PolarHBondContact O-N 2.85Å; V219-M223 HydrophobicContact CG1-CE 4.35Å; V219-M223 WeakPolarHBondContact O-CG 3.31Å; V219-M223 PolarHBondContact O-N 2.84Å
220	E	95.2	Very high	95.5	Very high	81 Å²	81	57.9 Å²	57.9	38%	0.379	28%	0.281	S	S	.	.	H	α-helix	trans	-66.3	-39.2	176.1	-72.2	179.8	171.6	0	0	112	K89 M216 E217 K218 M223 W224	K89-E220 IonicContact NZ-OE1 3.67Å; K89-E220 PolarHBondContact NZ-OE1 2.97Å; M216-E220 WeakPolarHBondContact O-CB 3.32Å; M216-E220 WeakPolarHBondContact O-CG 3.35Å; M216-E220 PolarHBondContact O-N 2.93Å; E217-E220 PolarHBondContact O-N 3.15Å; K218-E220 VanDerWaalsContact C-N 3.33Å; E220-M223 HydrophobicContact CB-CE 4.35Å; E220-M223 HydrophobicContact CG-CE 3.79Å; E220-M223 PolarHBondContact O-N 2.81Å; E220-W224 PolarHBondContact O-N 3.41Å
221	A	96.1	Very high	95.5	Very high	38 Å²	38	56.3 Å²	56.3	31%	0.314	27%	0.265	S	S	.	.	H	α-helix	trans	-60.4	-45.7	171.4	0	0	0	0	0	112.3	E217 K218 M223 W224 E225	E217-A221 PolarHBondContact O-N 3.26Å; K218-A221 PolarHBondContact O-N 2.64Å; A221-M223 VanDerWaalsContact C-N 3.32Å; A221-M223 PolarHBondContact O-N 3.46Å; A221-W224 PolarHBondContact O-N 2.9Å; A221-E225 WeakPolarHBondContact O-CB 3.09Å; A221-E225 WeakPolarHBondContact O-CG 3.19Å; A221-E225 PolarHBondContact O-N 3.23Å
222	I	96.7	Very high	95.4	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-45.4	174.6	-73.6	170.9	0	0	0	110.8	A125 H157 I159 K218 V219 W224 E225 N226	A125-I222 HydrophobicContact CB-CD1 4.31Å; H157-I222 HydrophobicContact CB-CG2 4.27Å; I159-I222 HydrophobicContact CD1-CD1 3.85Å; I159-I222 HydrophobicContact CG1-CD1 3.45Å; I159-I222 VanDerWaalsContact CG1-CD1 3.45Å; K218-I222 WeakPolarHBondContact O-CG1 3.37Å; K218-I222 PolarHBondContact O-N 3.44Å; V219-I222 PolarHBondContact O-N 2.85Å; I222-W224 VanDerWaalsContact C-N 3.34Å; I222-W224 PolarHBondContact O-N 2.68Å; I222-E225 PolarHBondContact O-N 3.03Å; I222-N226 WeakPolarHBondContact O-CB 3.24Å; I222-N226 PolarHBondContact O-N 2.78Å; I222-N226 PolarHBondContact O-ND2 3.48Å
223	M	94.4	Very high	95.4	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.039	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-42.6	178.4	-72.4	-172.2	-60.7	0	0	111.1	P38 L41 V219 E220 A221 E225 N226 E227 G228	P38-M223 HydrophobicContact CG-SD 3.83Å; L41-M223 HydrophobicContact CD2-CE 3.94Å; L41-M223 HydrophobicContact CD2-SD 3.49Å; L41-M223 WeakPolarHBondContact CD2-SD 3.26Å; V219-M223 HydrophobicContact CG1-CE 4.35Å; V219-M223 WeakPolarHBondContact O-CG 3.31Å; V219-M223 PolarHBondContact O-N 2.84Å; E220-M223 HydrophobicContact CB-CE 4.35Å; E220-M223 HydrophobicContact CG-CE 3.79Å; E220-M223 PolarHBondContact O-N 2.81Å; A221-M223 VanDerWaalsContact C-N 3.32Å; A221-M223 PolarHBondContact O-N 3.46Å; M223-E225 PolarHBondContact O-N 2.89Å; M223-N226 CarbonylContact O-C 3.56Å; M223-N226 PolarHBondContact O-N 3.27Å; M223-E227 PolarHBondContact O-N 3.22Å; M223-G228 WeakPolarHBondContact O-CA 3.36Å; M223-G228 PolarHBondContact O-N 2.76Å
224	W	94.1	Very high	95.3	Very high	185 Å²	185	60.1 Å²	60.1	70%	0.701	29%	0.292	S	S	*	.	H	α-helix	trans	-60.1	-46.8	176.4	-179.7	-95.6	0	0	0	112.3	E220 A221 I222 N226 E227	E220-W224 PolarHBondContact O-N 3.41Å; A221-W224 PolarHBondContact O-N 2.9Å; I222-W224 VanDerWaalsContact C-N 3.34Å; I222-W224 PolarHBondContact O-N 2.68Å; W224-N226 VanDerWaalsContact C-N 3.26Å; W224-N226 PolarHBondContact O-N 2.63Å; W224-E227 PolarHBondContact O-N 3.09Å
225	E	94.1	Very high	95.3	Very high	109 Å²	109	57.5 Å²	57.5	51%	0.509	28%	0.28	S	S	.	.	H	α-helix	trans	-63.3	-30.2	178.5	-72.1	170.3	-171.2	0	0	113	R195 A221 I222 M223	R195-E225 IonicContact CZ-OE2 2.66Å; R195-E225 IonicContact NH1-OE2 3.14Å; R195-E225 PolarHBondContact NH1-OE2 2.9Å; A221-E225 WeakPolarHBondContact O-CB 3.09Å; A221-E225 WeakPolarHBondContact O-CG 3.19Å; A221-E225 PolarHBondContact O-N 3.23Å; I222-E225 PolarHBondContact O-N 3.03Å; M223-E225 PolarHBondContact O-N 2.89Å
226	N	93.7	Very high	95.3	Very high	48 Å²	48	57.6 Å²	57.6	26%	0.257	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	28.8	-179.4	-63.3	-83.1	0	0	0	112.4	H157 I222 M223 W224 G228 D229	H157-N226 PolarHBondContact NE2-OD1 2.96Å; I222-N226 WeakPolarHBondContact O-CB 3.24Å; I222-N226 PolarHBondContact O-N 2.78Å; I222-N226 PolarHBondContact O-ND2 3.48Å; M223-N226 CarbonylContact O-C 3.56Å; M223-N226 PolarHBondContact O-N 3.27Å; W224-N226 VanDerWaalsContact C-N 3.26Å; W224-N226 PolarHBondContact O-N 2.63Å; N226-G228 PolarHBondContact O-N 3.43Å; N226-D229 WeakPolarHBondContact O-CB 3.47Å; N226-D229 PolarHBondContact O-N 3.42Å
227	E	90.8	Very high	95.3	Very high	156 Å²	156	62.9 Å²	62.9	73%	0.729	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	22.3	175.6	-58.4	-173.4	-160.2	0	0	116	M223 W224	M223-E227 PolarHBondContact O-N 3.22Å; W224-E227 PolarHBondContact O-N 3.09Å
228	G	86.8	Confident	95.2	Very high	27 Å²	27	60 Å²	60	28%	0.278	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-0	-177.1	0	0	0	0	0	114	M223 N226	M223-G228 WeakPolarHBondContact O-CA 3.36Å; M223-G228 PolarHBondContact O-N 2.76Å; N226-G228 PolarHBondContact O-N 3.43Å
229	D	90.3	Very high	95.2	Very high	99 Å²	99	57.9 Å²	57.9	53%	0.529	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-82.6	152.6	-174.9	-75.9	-33.1	0	0	0	113.3	H157 N226	H157-D229 PolarHBondContact CE1-O 2.97Å; N226-D229 WeakPolarHBondContact O-CB 3.47Å; N226-D229 PolarHBondContact O-N 3.42Å
230	Y	95.6	Very high	95.1	Very high	68 Å²	68	59.9 Å²	59.9	27%	0.267	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-84.7	156.4	168	48.6	-93.9	0	0	0	110.4	P121 G122 P123 S232 Q240	P121-Y230 HydrophobicContact CB-CD2 4.4Å; P121-Y230 HydrophobicContact CB-CE1 4.45Å; P121-Y230 HydrophobicContact CB-CE2 3.59Å; P121-Y230 HydrophobicContact CG-CD1 4.25Å; P121-Y230 HydrophobicContact CG-CD2 4.22Å; P121-Y230 HydrophobicContact CG-CE1 3.73Å; P121-Y230 HydrophobicContact CG-CE2 3.68Å; P121-Y230 HydrophobicContact CG-CG 4.48Å; P121-Y230 VanDerWaalsContact CG-CZ 3.41Å; P121-Y230 VanDerWaalsContact O-CE2 3.29Å; P121-Y230 WeakPolarHBondContact O-CE2 3.23Å; G122-Y230 WeakPolarHBondContact O-CB 3.35Å; P123-Y230 WeakPolarHBondContact O-CB 3.48Å; Y230-S232 PolarHBondContact O-N 2.85Å; Y230-Q240 PolarHBondContact OH-NE2 2.86Å
231	Y	97.7	Very high	95	Very high	13 Å²	13	61.7 Å²	61.7	5%	0.051	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-61.5	134.6	172.3	168.9	-98.6	0	0	0	110.5	G122 P123 F150 V154 H157 N233 Y236	G122-Y231 WeakPolarHBondContact CA-O 3.37Å; P123-Y231 HydrophobicContact CG-CD1 4.1Å; P123-Y231 PolarHBondContact O-N 2.85Å; F150-Y231 HydrophobicContact CB-CE1 4.19Å; F150-Y231 HydrophobicContact CD1-CE1 4.03Å; F150-Y231 PolarHBondContact O-OH 3.37Å; V154-Y231 HydrophobicContact CB-CD2 4.26Å; V154-Y231 HydrophobicContact CB-CE2 3.87Å; V154-Y231 HydrophobicContact CG2-CD1 4.37Å; V154-Y231 HydrophobicContact CG2-CD2 4.29Å; V154-Y231 HydrophobicContact CG2-CE1 4.3Å; V154-Y231 HydrophobicContact CG2-CE2 4.19Å; V154-Y231 HydrophobicContact CG2-CG 4.39Å; H157-Y231 AromaticContact CD2-CD2 3.97Å; H157-Y231 PolarHBondContact CE1-N 2.93Å; Y231-N233 WeakPolarHBondContact OH-CB 3.24Å; Y231-N233 PolarHBondContact OH-ND2 2.9Å; Y231-Y236 HydrophobicContact CD1-CD2 4.28Å; Y231-Y236 AromaticContact CD1-CE2 3.92Å; Y231-Y236 HydrophobicContact CD1-CE2 3.92Å; Y231-Y236 AromaticContact CE1-CD2 3.92Å; Y231-Y236 HydrophobicContact CE1-CD2 3.92Å; Y231-Y236 AromaticContact CE1-CE2 3.65Å; Y231-Y236 HydrophobicContact CE1-CE2 3.65Å
232	S	96.8	Very high	94.9	Very high	48 Å²	48	61.4 Å²	61.4	34%	0.336	29%	0.291	S	S	.	.			trans	-143.6	157.8	176.7	-159.2	0	0	0	0	112.1	Y230	Y230-S232 PolarHBondContact O-N 2.85Å
233	N	96.3	Very high	94.7	Very high	19 Å²	19	65.1 Å²	65.1	10%	0.102	31%	0.307	C	S	.	.			trans	-151.1	-175	175	67.9	18.3	0	0	0	109.9	Y231 A235 Y236 Q237	Y231-N233 WeakPolarHBondContact OH-CB 3.24Å; Y231-N233 PolarHBondContact OH-ND2 2.9Å; N233-A235 VanDerWaalsContact C-N 3.3Å; N233-A235 PolarHBondContact O-N 3.27Å; N233-A235 WeakPolarHBondContact OD1-CA 3.44Å; N233-A235 WeakPolarHBondContact OD1-CB 3.44Å; N233-A235 PolarHBondContact OD1-N 2.82Å; N233-Y236 PolarHBondContact O-N 2.88Å; N233-Y236 WeakPolarHBondContact OD1-CD2 3.37Å; N233-Y236 PolarHBondContact OD1-N 2.68Å; N233-Q237 WeakPolarHBondContact O-CB 3.46Å; N233-Q237 VanDerWaalsContact O-CG 3.27Å; N233-Q237 WeakPolarHBondContact O-CG 3.42Å; N233-Q237 PolarHBondContact O-N 2.89Å
234	K	97.2	Very high	94.5	Very high	145 Å²	145	71.4 Å²	71.4	63%	0.63	33%	0.331	S	S	*	.	H	α-helix	trans	-56.4	-41.3	179.9	-67.1	-177.5	179.8	178.6	0	113.1	Q237 Y238 I275	K234-Q237 PolarHBondContact O-N 3.39Å; K234-Y238 WeakPolarHBondContact O-CB 3.42Å; K234-Y238 PolarHBondContact O-N 3.3Å; K234-I275 HydrophobicContact CB-CG2 3.91Å
235	A	97.6	Very high	94.3	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-45.9	179.5	0	0	0	0	0	111.2	I116 N233 Q237 Y238 T239 L272 I275	I116-A235 HydrophobicContact CD1-CB 3.89Å; I116-A235 HydrophobicContact CG2-CB 4.39Å; N233-A235 VanDerWaalsContact C-N 3.3Å; N233-A235 PolarHBondContact O-N 3.27Å; N233-A235 WeakPolarHBondContact OD1-CA 3.44Å; N233-A235 WeakPolarHBondContact OD1-CB 3.44Å; N233-A235 PolarHBondContact OD1-N 2.82Å; A235-Q237 PolarHBondContact O-N 3.19Å; A235-Y238 PolarHBondContact O-N 3.46Å; A235-T239 PolarHBondContact O-N 2.96Å; A235-T239 PolarHBondContact O-OG1 2.8Å; A235-L272 HydrophobicContact CB-CD1 3.8Å; A235-I275 HydrophobicContact CB-CG2 4.36Å
236	Y	97.9	Very high	94	Very high	1 Å²	1	65.1 Å²	65.1	0%	0.004	31%	0.31	C	S	.	.	H	α-helix	trans	-61.8	-41.7	174.6	-81.4	-66.5	0	0	0	113.2	I116 S119 A120 P121 P123 F150 Y231 N233 T239 Q240	I116-Y236 HydrophobicContact CB-CE1 4.26Å; I116-Y236 HydrophobicContact CG1-CE2 4.37Å; I116-Y236 HydrophobicContact CG2-CD1 3.8Å; I116-Y236 HydrophobicContact CG2-CE1 3.82Å; I116-Y236 HydrophobicContact CG2-CG 4.21Å; I116-Y236 WeakPolarHBondContact O-CE1 3.49Å; S119-Y236 VanDerWaalsContact OG-CE1 3.31Å; S119-Y236 WeakPolarHBondContact OG-CE1 3.34Å; S119-Y236 PolarHBondContact OG-OH 3.37Å; A120-Y236 HydrophobicContact CB-CD1 4.39Å; P121-Y236 WeakPolarHBondContact O-CB 3.12Å; P123-Y236 WeakPolarHBondContact CD-OH 3.26Å; F150-Y236 HydrophobicContact CD1-CE2 4.24Å; F150-Y236 HydrophobicContact CE1-CE2 4.22Å; Y231-Y236 HydrophobicContact CD1-CD2 4.28Å; Y231-Y236 AromaticContact CD1-CE2 3.92Å; Y231-Y236 HydrophobicContact CD1-CE2 3.92Å; Y231-Y236 AromaticContact CE1-CD2 3.92Å; Y231-Y236 HydrophobicContact CE1-CD2 3.92Å; Y231-Y236 AromaticContact CE1-CE2 3.65Å; Y231-Y236 HydrophobicContact CE1-CE2 3.65Å; N233-Y236 PolarHBondContact O-N 2.88Å; N233-Y236 WeakPolarHBondContact OD1-CD2 3.37Å; N233-Y236 PolarHBondContact OD1-N 2.68Å; Y236-T239 PolarHBondContact O-N 3.34Å; Y236-Q240 WeakPolarHBondContact O-CB 3.38Å; Y236-Q240 PolarHBondContact O-N 3.06Å
237	Q	97.2	Very high	93.7	Very high	115 Å²	115	67.8 Å²	67.8	54%	0.537	32%	0.321	S	S	.	.	H	α-helix	trans	-62.1	-44.8	176.2	-72	169.4	-0.7	0	0	111.2	N233 K234 A235 Q240 Q241	N233-Q237 WeakPolarHBondContact O-CB 3.46Å; N233-Q237 VanDerWaalsContact O-CG 3.27Å; N233-Q237 WeakPolarHBondContact O-CG 3.42Å; N233-Q237 PolarHBondContact O-N 2.89Å; K234-Q237 PolarHBondContact O-N 3.39Å; A235-Q237 PolarHBondContact O-N 3.19Å; Q237-Q240 PolarHBondContact O-N 2.87Å; Q237-Q241 WeakPolarHBondContact O-CB 3.36Å; Q237-Q241 PolarHBondContact O-N 3.1Å
238	Y	96.8	Very high	93.5	Very high	56 Å²	56	65 Å²	65	22%	0.22	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-45.3	175.9	-178.1	-96.2	0	0	0	111.8	K234 A235 Q240 Q241 N242 W268 L272 I275	K234-Y238 WeakPolarHBondContact O-CB 3.42Å; K234-Y238 PolarHBondContact O-N 3.3Å; A235-Y238 PolarHBondContact O-N 3.46Å; Y238-Q240 PolarHBondContact O-N 2.94Å; Y238-Q241 PolarHBondContact O-N 3.01Å; Y238-N242 WeakPolarHBondContact CD1-ND2 3.42Å; Y238-N242 WeakPolarHBondContact CE1-ND2 3.26Å; Y238-N242 PolarHBondContact O-N 3.23Å; Y238-N242 PolarHBondContact O-ND2 2.8Å; Y238-W268 HydrophobicContact CE1-CB 4.47Å; Y238-W268 HydrophobicContact CE1-CE3 4.31Å; Y238-W268 WeakPolarHBondContact CE1-O 3.24Å; Y238-L272 HydrophobicContact CD1-CB 4.07Å; Y238-L272 HydrophobicContact CD1-CD1 4.29Å; Y238-L272 HydrophobicContact CE1-CB 4.07Å; Y238-I275 HydrophobicContact CD1-CD1 3.97Å; Y238-I275 HydrophobicContact CD2-CD1 3.3Å; Y238-I275 HydrophobicContact CE1-CD1 4.41Å; Y238-I275 HydrophobicContact CE2-CD1 3.81Å; Y238-I275 HydrophobicContact CG-CD1 3.39Å
239	T	96.4	Very high	93.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-45.1	175	-56.3	0	0	0	0	111.7	V117 A120 A235 Y236 Q241 N242 F243 W268	V117-T239 HydrophobicContact CG2-CG2 4.26Å; A120-T239 HydrophobicContact CB-CG2 3.68Å; A235-T239 PolarHBondContact O-N 2.96Å; A235-T239 PolarHBondContact O-OG1 2.8Å; Y236-T239 PolarHBondContact O-N 3.34Å; T239-Q241 VanDerWaalsContact C-N 3.34Å; T239-Q241 PolarHBondContact O-N 2.92Å; T239-N242 PolarHBondContact O-N 2.86Å; T239-F243 HydrophobicContact CG2-CD2 4.21Å; T239-F243 HydrophobicContact CG2-CE1 4.16Å; T239-F243 HydrophobicContact CG2-CE2 3.83Å; T239-F243 HydrophobicContact CG2-CZ 3.81Å; T239-F243 WeakPolarHBondContact O-CG 3.44Å; T239-F243 PolarHBondContact O-N 3.28Å; T239-W268 HydrophobicContact CG2-CZ3 4.31Å
240	Q	94.6	Very high	92.9	Very high	42 Å²	42	67 Å²	67	20%	0.196	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-41.7	178.6	-175.2	-174	76.8	0	0	111.7	P121 Y230 Y236 Q237 Y238 F243 R244	P121-Q240 HydrophobicContact CB-CB 4.48Å; P121-Q240 HydrophobicContact CB-CG 4.32Å; Y230-Q240 PolarHBondContact OH-NE2 2.86Å; Y236-Q240 WeakPolarHBondContact O-CB 3.38Å; Y236-Q240 PolarHBondContact O-N 3.06Å; Q237-Q240 PolarHBondContact O-N 2.87Å; Y238-Q240 PolarHBondContact O-N 2.94Å; Q240-F243 PolarHBondContact O-N 2.91Å; Q240-R244 WeakPolarHBondContact O-CG 3.13Å; Q240-R244 PolarHBondContact O-N 3.25Å; Q240-R244 VanDerWaalsContact OE1-CZ 3.31Å
241	Q	94.2	Very high	92.5	Very high	119 Å²	119	71.2 Å²	71.2	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-62.5	-44.2	177.4	-174	173.5	3.5	0	0	111.3	Q237 Y238 T239 R244 L245	Q237-Q241 WeakPolarHBondContact O-CB 3.36Å; Q237-Q241 PolarHBondContact O-N 3.1Å; Y238-Q241 PolarHBondContact O-N 3.01Å; T239-Q241 VanDerWaalsContact C-N 3.34Å; T239-Q241 PolarHBondContact O-N 2.92Å; Q241-R244 PolarHBondContact O-N 3.05Å; Q241-L245 HydrophobicContact CG-CD1 4.26Å; Q241-L245 WeakPolarHBondContact O-CG 3.4Å; Q241-L245 PolarHBondContact O-N 2.92Å
242	N	93.8	Very high	91.8	Very high	32 Å²	32	75.7 Å²	75.7	17%	0.171	35%	0.346	C	S	.	.	H	α-helix	trans	-65.5	-40.8	177.6	-78.6	-76.9	0	0	0	112.5	Y238 T239 R244 L245 K246 W268	Y238-N242 WeakPolarHBondContact CD1-ND2 3.42Å; Y238-N242 WeakPolarHBondContact CE1-ND2 3.26Å; Y238-N242 PolarHBondContact O-N 3.23Å; Y238-N242 PolarHBondContact O-ND2 2.8Å; T239-N242 PolarHBondContact O-N 2.86Å; N242-R244 PolarHBondContact O-N 3.39Å; N242-L245 PolarHBondContact O-N 3.26Å; N242-K246 WeakPolarHBondContact O-CB 3.4Å; N242-K246 PolarHBondContact O-N 2.81Å; N242-W268 HydrophobicContact CB-CD2 4.19Å; N242-W268 HydrophobicContact CB-CE3 4.08Å; N242-W268 HydrophobicContact CB-CG 4.42Å; N242-W268 WeakPolarHBondContact OD1-CB 3.28Å
243	F	92.2	Very high	91	Very high	77 Å²	77	78.3 Å²	78.3	34%	0.338	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-44.7	173.4	-73.7	-10	0	0	0	112.3	V117 A120 T239 Q240 L245 K246 E247 W268	V117-F243 HydrophobicContact CG1-CE1 4.39Å; V117-F243 HydrophobicContact CG1-CZ 3.84Å; A120-F243 HydrophobicContact CB-CD2 4.35Å; A120-F243 HydrophobicContact CB-CE2 3.8Å; T239-F243 HydrophobicContact CG2-CD2 4.21Å; T239-F243 HydrophobicContact CG2-CE1 4.16Å; T239-F243 HydrophobicContact CG2-CE2 3.83Å; T239-F243 HydrophobicContact CG2-CZ 3.81Å; T239-F243 WeakPolarHBondContact O-CG 3.44Å; T239-F243 PolarHBondContact O-N 3.28Å; Q240-F243 PolarHBondContact O-N 2.91Å; F243-L245 PolarHBondContact O-N 3.43Å; F243-K246 PolarHBondContact O-N 2.84Å; F243-E247 WeakPolarHBondContact O-CG 3.48Å; F243-E247 PolarHBondContact O-N 3.19Å; F243-W268 HydrophobicContact CE1-CH2 4.07Å; F243-W268 HydrophobicContact CE1-CZ2 4.38Å
244	R	91.5	Very high	90.2	Very high	141 Å²	141	82.4 Å²	82.4	53%	0.532	39%	0.39	S	S	.	.	H	α-helix	trans	-62.4	-41.6	176.1	-73.6	178.3	-178.3	155.2	4.8	112.3	Q240 Q241 N242 E247 L248	Q240-R244 WeakPolarHBondContact O-CG 3.13Å; Q240-R244 PolarHBondContact O-N 3.25Å; Q240-R244 VanDerWaalsContact OE1-CZ 3.31Å; Q241-R244 PolarHBondContact O-N 3.05Å; N242-R244 PolarHBondContact O-N 3.39Å; R244-E247 PolarHBondContact O-N 3.14Å; R244-L248 WeakPolarHBondContact O-CB 3.24Å; R244-L248 VanDerWaalsContact O-CG 3.28Å; R244-L248 WeakPolarHBondContact O-CG 3.39Å; R244-L248 PolarHBondContact O-N 3.29Å
245	L	89.7	Confident	89.4	Confident	81 Å²	81	82.1 Å²	82.1	42%	0.424	39%	0.391	S	S	.	.	H	α-helix	trans	-63.1	-44.7	177.4	-73.3	170.4	0	0	0	111.4	Q241 N242 F243 L248 Q249	Q241-L245 HydrophobicContact CG-CD1 4.26Å; Q241-L245 WeakPolarHBondContact O-CG 3.4Å; Q241-L245 PolarHBondContact O-N 2.92Å; N242-L245 PolarHBondContact O-N 3.26Å; F243-L245 PolarHBondContact O-N 3.43Å; L245-L248 PolarHBondContact O-N 2.95Å; L245-Q249 WeakPolarHBondContact O-CG 3.47Å; L245-Q249 PolarHBondContact O-N 3.37Å
246	K	86.4	Confident	88.1	Confident	81 Å²	81	85.6 Å²	85.6	35%	0.352	43%	0.427	S	S	.	.	H	α-helix	trans	-60.8	-46.7	177	-168.6	176.7	179.8	-176.8	0	111.6	N242 F243 L248 Q249 E250 E265	N242-K246 WeakPolarHBondContact O-CB 3.4Å; N242-K246 PolarHBondContact O-N 2.81Å; F243-K246 PolarHBondContact O-N 2.84Å; K246-L248 PolarHBondContact O-N 2.62Å; K246-Q249 PolarHBondContact O-N 3Å; K246-E250 WeakPolarHBondContact CE-OE1 3.49Å; K246-E250 WeakPolarHBondContact O-CG 3.49Å; K246-E250 PolarHBondContact O-N 2.79Å; K246-E265 IonicContact NZ-OE1 2.78Å; K246-E265 PolarHBondContact NZ-OE1 2.96Å
247	E	87.2	Confident	86.3	Confident	104 Å²	104	92.4 Å²	92.4	49%	0.486	46%	0.459	S	S	.	.	H	α-helix	trans	-61.3	-40.1	176.4	-74.5	-177.1	171.7	0	0	113	F243 R244 R251	F243-E247 WeakPolarHBondContact O-CG 3.48Å; F243-E247 PolarHBondContact O-N 3.19Å; R244-E247 PolarHBondContact O-N 3.14Å; E247-R251 VanDerWaalsContact O-CG 3.29Å; E247-R251 WeakPolarHBondContact O-CG 3.19Å; E247-R251 PolarHBondContact O-N 3.11Å
248	L	87.7	Confident	84.5	Confident	98 Å²	98	90 Å²	90	51%	0.513	46%	0.464	S	S	.	.	H	α-helix	trans	-65.4	-41.2	177	-74.7	170.5	0	0	0	111.7	R244 L245 K246 R251 Q252	R244-L248 WeakPolarHBondContact O-CB 3.24Å; R244-L248 VanDerWaalsContact O-CG 3.28Å; R244-L248 WeakPolarHBondContact O-CG 3.39Å; R244-L248 PolarHBondContact O-N 3.29Å; L245-L248 PolarHBondContact O-N 2.95Å; K246-L248 PolarHBondContact O-N 2.62Å; L248-R251 PolarHBondContact O-N 3.18Å; L248-Q252 WeakPolarHBondContact O-CG 3.34Å; L248-Q252 PolarHBondContact O-N 3.4Å
249	Q	80.6	Confident	82.5	Confident	63 Å²	63	93 Å²	93	29%	0.294	49%	0.494	S	S	.	.	H	α-helix	trans	-67.7	-44.8	177.9	-74.2	173.3	-10.4	0	0	111.7	L245 K246 R251 Q252 V253	L245-Q249 WeakPolarHBondContact O-CG 3.47Å; L245-Q249 PolarHBondContact O-N 3.37Å; K246-Q249 PolarHBondContact O-N 3Å; Q249-R251 PolarHBondContact O-N 3.26Å; Q249-Q252 WeakPolarHBondContact O-CB 3.46Å; Q249-Q252 PolarHBondContact O-N 2.91Å; Q249-V253 WeakPolarHBondContact O-CG2 3.48Å; Q249-V253 PolarHBondContact O-N 3.39Å
250	E	84.5	Confident	80.4	Confident	104 Å²	104	101.7 Å²	101.7	49%	0.486	53%	0.534	S	S	.	.	H	α-helix	trans	-57.4	-36.9	175.8	-74.7	174.2	-176.3	0	0	111.6	K246 S254	K246-E250 WeakPolarHBondContact CE-OE1 3.49Å; K246-E250 WeakPolarHBondContact O-CG 3.49Å; K246-E250 PolarHBondContact O-N 2.79Å; E250-S254 VanDerWaalsContact O-CB 3.31Å; E250-S254 WeakPolarHBondContact O-CB 3.37Å; E250-S254 PolarHBondContact O-N 2.93Å; E250-S254 PolarHBondContact O-OG 3.23Å
251	R	85.5	Confident	78.7	Confident	156 Å²	156	107.3 Å²	107.3	59%	0.589	57%	0.566	S	S	*	*	H	α-helix	trans	-68.3	-38.9	173.2	-70.7	174.1	-172.5	-170.7	6.1	113	E247 L248 Q249 Q255	E247-R251 VanDerWaalsContact O-CG 3.29Å; E247-R251 WeakPolarHBondContact O-CG 3.19Å; E247-R251 PolarHBondContact O-N 3.11Å; L248-R251 PolarHBondContact O-N 3.18Å; Q249-R251 PolarHBondContact O-N 3.26Å; R251-Q255 VanDerWaalsContact O-CG 3.27Å; R251-Q255 WeakPolarHBondContact O-CG 3.31Å; R251-Q255 PolarHBondContact O-N 3.29Å
252	Q	82.8	Confident	76.8	Confident	107 Å²	107	106 Å²	106	50%	0.5	57%	0.566	S	S	.	*	H	α-helix	trans	-68.4	-44.2	177.2	-75.9	179.1	-4.9	0	0	112.4	L248 Q249 S254 Q255 G256 Q257	L248-Q252 WeakPolarHBondContact O-CG 3.34Å; L248-Q252 PolarHBondContact O-N 3.4Å; Q249-Q252 WeakPolarHBondContact O-CB 3.46Å; Q249-Q252 PolarHBondContact O-N 2.91Å; Q252-S254 VanDerWaalsContact C-N 3.31Å; Q252-S254 PolarHBondContact O-N 3.43Å; Q252-Q255 CarbonylContact O-C 3.42Å; Q252-Q255 WeakPolarHBondContact O-CA 3.38Å; Q252-Q255 PolarHBondContact O-N 3.49Å; Q252-G256 PolarHBondContact O-N 3.03Å; Q252-Q257 PolarHBondContact O-N 3.16Å
253	V	80.5	Confident	75	Confident	104 Å²	104	108.2 Å²	108.2	63%	0.63	58%	0.582	S	S	*	*	H	α-helix	trans	-59.5	-44.9	174.6	173.7	0	0	0	0	110	Q249 Q255 G256	Q249-V253 WeakPolarHBondContact O-CG2 3.48Å; Q249-V253 PolarHBondContact O-N 3.39Å; V253-Q255 PolarHBondContact O-N 3.25Å; V253-G256 PolarHBondContact O-N 2.84Å; V253-G256 VanDerWaalsContact O-N 3.11Å
254	S	79.7	Confident	73.8	Confident	104 Å²	104	106.4 Å²	106.4	73%	0.727	59%	0.585	S	S	*	*	H	α-helix	trans	-63.7	-20.2	175.9	-58.4	0	0	0	0	113.6	E250 Q252	E250-S254 VanDerWaalsContact O-CB 3.31Å; E250-S254 WeakPolarHBondContact O-CB 3.37Å; E250-S254 PolarHBondContact O-N 2.93Å; E250-S254 PolarHBondContact O-OG 3.23Å; Q252-S254 VanDerWaalsContact C-N 3.31Å; Q252-S254 PolarHBondContact O-N 3.43Å
255	Q	80.9	Confident	72.7	Confident	140 Å²	140	105.4 Å²	105.4	65%	0.654	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	5.9	177.9	-71	178.8	24.2	0	0	113.5	R251 Q252 V253 Q257	R251-Q255 VanDerWaalsContact O-CG 3.27Å; R251-Q255 WeakPolarHBondContact O-CG 3.31Å; R251-Q255 PolarHBondContact O-N 3.29Å; Q252-Q255 CarbonylContact O-C 3.42Å; Q252-Q255 WeakPolarHBondContact O-CA 3.38Å; Q252-Q255 PolarHBondContact O-N 3.49Å; V253-Q255 PolarHBondContact O-N 3.25Å; Q255-Q257 PolarHBondContact O-N 3.18Å
256	G	69.2	Low	72	Confident	73 Å²	73	109 Å²	109	75%	0.753	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.9	18.5	175.8	0	0	0	0	0	114.6	Q252 V253	Q252-G256 PolarHBondContact O-N 3.03Å; V253-G256 PolarHBondContact O-N 2.84Å; V253-G256 VanDerWaalsContact O-N 3.11Å
257	Q	61.6	Low	71.9	Confident	144 Å²	144	108.1 Å²	108.1	67%	0.673	61%	0.605	S	S	*	*			trans	-116.5	85.9	178.3	-70.1	-177.2	-14.5	0	0	109.8	Q252 Q255	Q252-Q257 PolarHBondContact O-N 3.16Å; Q255-Q257 PolarHBondContact O-N 3.18Å
258	G	58.5	Low	71.9	Confident	64 Å²	64	104.5 Å²	104.5	66%	0.66	59%	0.587	S	S	*	*			trans	149.5	135	166	0	0	0	0	0	116
259	S	54.2	Low	72.1	Confident	120 Å²	120	103.4 Å²	103.4	84%	0.839	58%	0.581	S	S	*	*			trans	-90.5	152.3	170.4	57.6	0	0	0	0	111.7	D261	S259-D261 PolarHBondContact O-N 3.48Å
260	E	53.7	Low	72.7	Confident	182 Å²	182	106.7 Å²	106.7	85%	0.85	60%	0.597	S	S	*	*			trans	-70.4	112.1	-172.1	-63.8	170.7	151.1	0	0	113.3
261	D	58.1	Low	73.2	Confident	159 Å²	159	102.7 Å²	102.7	85%	0.85	58%	0.583	S	S	*	*			trans	-141.8	70.3	149.6	-89.5	-37.8	0	0	0	106.7	S259	S259-D261 PolarHBondContact O-N 3.48Å
262	V	54.5	Low	73.7	Confident	92 Å²	92	95.3 Å²	95.3	56%	0.558	56%	0.555	S	S	*	*			trans	-85.6	123	173.8	-179.7	0	0	0	0	107.1	G264	V262-G264 PolarHBondContact O-N 3.39Å
263	P	57	Low	74.3	Confident	78 Å²	78	92.1 Å²	92.1	51%	0.506	55%	0.545	S	S	.	.			trans	-56.9	113.1	162.4	-15.9	28.5	0	0	0	106.7
264	G	65.3	Low	75	Confident	40 Å²	40	91.8 Å²	91.8	41%	0.412	54%	0.536	S	S	.	.			trans	-52.1	156.9	-176.4	0	0	0	0	0	111.2	V262 E266 S267	V262-G264 PolarHBondContact O-N 3.39Å; G264-E266 PolarHBondContact O-N 3.4Å; G264-S267 WeakPolarHBondContact O-CB 3.46Å; G264-S267 PolarHBondContact O-N 3.36Å
265	E	69.8	Low	75.8	Confident	120 Å²	120	88.8 Å²	88.8	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-50.5	-31.9	179.9	-75.8	-170.2	155.6	0	0	112.7	K246 W268 L269	K246-E265 IonicContact NZ-OE1 2.78Å; K246-E265 PolarHBondContact NZ-OE1 2.96Å; E265-W268 VanDerWaalsContact O-CD1 3.22Å; E265-W268 PolarHBondContact O-NE1 3.46Å; E265-L269 WeakPolarHBondContact O-CB 3.38Å; E265-L269 VanDerWaalsContact O-CG 3.25Å; E265-L269 WeakPolarHBondContact O-CG 3.45Å; E265-L269 PolarHBondContact O-N 3.15Å
266	E	75	Confident	76.6	Confident	157 Å²	157	82.3 Å²	82.3	73%	0.734	48%	0.482	S	S	*	.	H	α-helix	trans	-59.9	-42.9	174.5	-142.7	162	-160.1	0	0	112.9	G264 L269 E270	G264-E266 PolarHBondContact O-N 3.4Å; E266-L269 PolarHBondContact O-N 3.46Å; E266-E270 WeakPolarHBondContact O-CG 3.27Å; E266-E270 PolarHBondContact O-N 3.4Å
267	S	83	Confident	77.8	Confident	62 Å²	62	84.4 Å²	84.4	43%	0.434	47%	0.47	S	S	.	.	H	α-helix	trans	-67.2	-41.6	-174.9	178.9	0	0	0	0	113.1	G264 G271	G264-S267 WeakPolarHBondContact O-CB 3.46Å; G264-S267 PolarHBondContact O-N 3.36Å; S267-G271 PolarHBondContact O-N 3.33Å
268	W	88.7	Confident	79.5	Confident	28 Å²	28	82.6 Å²	82.6	11%	0.106	46%	0.462	C	S	.	.	H	α-helix	trans	-80.1	-27.9	177.9	77.9	-91.1	0	0	0	112	V117 Y238 T239 N242 F243 E265 E270 G271 L272	V117-W268 HydrophobicContact CG1-CH2 4.35Å; V117-W268 HydrophobicContact CG2-CH2 3.73Å; V117-W268 HydrophobicContact CG2-CZ3 4.09Å; Y238-W268 HydrophobicContact CE1-CB 4.47Å; Y238-W268 HydrophobicContact CE1-CE3 4.31Å; Y238-W268 WeakPolarHBondContact CE1-O 3.24Å; T239-W268 HydrophobicContact CG2-CZ3 4.31Å; N242-W268 HydrophobicContact CB-CD2 4.19Å; N242-W268 HydrophobicContact CB-CE3 4.08Å; N242-W268 HydrophobicContact CB-CG 4.42Å; N242-W268 WeakPolarHBondContact OD1-CB 3.28Å; F243-W268 HydrophobicContact CE1-CH2 4.07Å; F243-W268 HydrophobicContact CE1-CZ2 4.38Å; E265-W268 VanDerWaalsContact O-CD1 3.22Å; E265-W268 PolarHBondContact O-NE1 3.46Å; W268-E270 VanDerWaalsContact C-N 3.33Å; W268-G271 PolarHBondContact O-N 3.41Å; W268-L272 HydrophobicContact CZ3-CD2 4.14Å; W268-L272 PolarHBondContact O-N 2.67Å
269	L	91.6	Very high	81.2	Confident	74 Å²	74	80.1 Å²	80.1	39%	0.387	43%	0.434	S	S	.	.	H	α-helix	trans	-65.1	-37.8	172	-74.5	173.9	0	0	0	111.7	V117 E265 E266 L272 S273	V117-L269 HydrophobicContact CG2-CD2 4.32Å; E265-L269 WeakPolarHBondContact O-CB 3.38Å; E265-L269 VanDerWaalsContact O-CG 3.25Å; E265-L269 WeakPolarHBondContact O-CG 3.45Å; E265-L269 PolarHBondContact O-N 3.15Å; E266-L269 PolarHBondContact O-N 3.46Å; L269-L272 PolarHBondContact O-N 3.11Å; L269-S273 WeakPolarHBondContact O-CB 3.44Å; L269-S273 PolarHBondContact O-N 2.87Å
270	E	92.6	Very high	83.2	Confident	133 Å²	133	75.2 Å²	75.2	62%	0.621	40%	0.398	S	S	*	.	H	α-helix	trans	-59.7	-45.7	169.3	-75.7	178.7	175.3	0	0	111.5	E266 W268 L272 S273 Q274	E266-E270 WeakPolarHBondContact O-CG 3.27Å; E266-E270 PolarHBondContact O-N 3.4Å; W268-E270 VanDerWaalsContact C-N 3.33Å; E270-L272 VanDerWaalsContact C-N 3.35Å; E270-L272 PolarHBondContact O-N 3.29Å; E270-S273 WeakPolarHBondContact O-CB 3.35Å; E270-S273 PolarHBondContact O-N 3.5Å; E270-Q274 PolarHBondContact O-N 2.71Å
271	G	94.6	Very high	85.1	Confident	20 Å²	20	71.4 Å²	71.4	21%	0.206	38%	0.38	C	S	.	.	H	α-helix	trans	-59.8	-42.2	175.6	0	0	0	0	0	113.2	S267 W268 Q274 I275	S267-G271 PolarHBondContact O-N 3.33Å; W268-G271 PolarHBondContact O-N 3.41Å; G271-Q274 PolarHBondContact O-N 2.82Å; G271-I275 WeakPolarHBondContact O-CG1 3.3Å; G271-I275 PolarHBondContact O-N 3.06Å
272	L	95.9	Very high	86.9	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-62.1	-45.8	174.7	176.9	62.3	0	0	0	111.1	C113 I116 V117 A235 Y238 W268 L269 E270 Q274 I275 Q276	C113-L272 HydrophobicContact CB-CD2 4.01Å; C113-L272 HydrophobicContact CB-CG 4.41Å; I116-L272 HydrophobicContact CG2-CD1 4.31Å; V117-L272 HydrophobicContact CG2-CD2 3.64Å; A235-L272 HydrophobicContact CB-CD1 3.8Å; Y238-L272 HydrophobicContact CD1-CB 4.07Å; Y238-L272 HydrophobicContact CD1-CD1 4.29Å; Y238-L272 HydrophobicContact CE1-CB 4.07Å; W268-L272 HydrophobicContact CZ3-CD2 4.14Å; W268-L272 PolarHBondContact O-N 2.67Å; L269-L272 PolarHBondContact O-N 3.11Å; E270-L272 VanDerWaalsContact C-N 3.35Å; E270-L272 PolarHBondContact O-N 3.29Å; L272-Q274 VanDerWaalsContact C-N 3.33Å; L272-Q274 PolarHBondContact O-N 2.87Å; L272-I275 PolarHBondContact O-N 2.69Å; L272-Q276 VanDerWaalsContact O-CB 3.26Å; L272-Q276 WeakPolarHBondContact O-CB 3.39Å; L272-Q276 PolarHBondContact O-N 3.31Å
273	S	95.2	Very high	88.8	Confident	40 Å²	40	63.8 Å²	63.8	28%	0.28	34%	0.342	S	S	.	.	H	α-helix	trans	-59.8	-43.7	178.3	-171.6	0	0	0	0	111.7	L269 E270 Q276 K277	L269-S273 WeakPolarHBondContact O-CB 3.44Å; L269-S273 PolarHBondContact O-N 2.87Å; E270-S273 WeakPolarHBondContact O-CB 3.35Å; E270-S273 PolarHBondContact O-N 3.5Å; S273-Q276 PolarHBondContact O-N 3.42Å; S273-K277 WeakPolarHBondContact O-CB 3.5Å; S273-K277 PolarHBondContact O-N 3.18Å
274	Q	96	Very high	90.5	Very high	97 Å²	97	64.7 Å²	64.7	45%	0.453	34%	0.335	S	S	.	.	H	α-helix	trans	-63.7	-48.1	176.8	-175.3	61.6	27.3	0	0	112.1	E270 G271 L272 Q276 K277 E278	E270-Q274 PolarHBondContact O-N 2.71Å; G271-Q274 PolarHBondContact O-N 2.82Å; L272-Q274 VanDerWaalsContact C-N 3.33Å; L272-Q274 PolarHBondContact O-N 2.87Å; Q274-Q276 VanDerWaalsContact C-N 3.29Å; Q274-Q276 PolarHBondContact O-N 3.1Å; Q274-K277 PolarHBondContact O-N 3.22Å; Q274-E278 PolarHBondContact NE2-OE1 3.35Å; Q274-E278 WeakPolarHBondContact O-CG 3.36Å; Q274-E278 PolarHBondContact O-N 3.19Å
275	I	97	Very high	91.9	Very high	41 Å²	41	66 Å²	66	21%	0.21	34%	0.338	C	S	.	.	H	α-helix	trans	-60.7	-41.3	177.5	-71.6	166.9	0	0	0	111.1	K234 A235 Y238 G271 L272 S279	K234-I275 HydrophobicContact CB-CG2 3.91Å; A235-I275 HydrophobicContact CB-CG2 4.36Å; Y238-I275 HydrophobicContact CD1-CD1 3.97Å; Y238-I275 HydrophobicContact CD2-CD1 3.3Å; Y238-I275 HydrophobicContact CE1-CD1 4.41Å; Y238-I275 HydrophobicContact CE2-CD1 3.81Å; Y238-I275 HydrophobicContact CG-CD1 3.39Å; G271-I275 WeakPolarHBondContact O-CG1 3.3Å; G271-I275 PolarHBondContact O-N 3.06Å; L272-I275 PolarHBondContact O-N 2.69Å; I275-S279 WeakPolarHBondContact O-CB 3.36Å; I275-S279 PolarHBondContact O-N 3.13Å; I275-S279 PolarHBondContact O-OG 2.95Å
276	Q	96.5	Very high	92.9	Very high	5 Å²	5	65.7 Å²	65.7	2%	0.023	34%	0.339	C	S	.	.	H	α-helix	trans	-65.8	-44.5	179.7	-178.5	54	37.6	0	0	111	I112 I116 V149 L272 S273 Q274 S279 E280	I112-Q276 HydrophobicContact CG2-CG 3.87Å; I116-Q276 HydrophobicContact CD1-CG 4.28Å; I116-Q276 VanDerWaalsContact CD1-OE1 3.26Å; V149-Q276 PolarHBondContact O-NE2 2.87Å; L272-Q276 VanDerWaalsContact O-CB 3.26Å; L272-Q276 WeakPolarHBondContact O-CB 3.39Å; L272-Q276 PolarHBondContact O-N 3.31Å; S273-Q276 PolarHBondContact O-N 3.42Å; Q274-Q276 VanDerWaalsContact C-N 3.29Å; Q274-Q276 PolarHBondContact O-N 3.1Å; Q276-S279 PolarHBondContact O-N 3.05Å; Q276-E280 WeakPolarHBondContact O-CB 3.49Å; Q276-E280 PolarHBondContact O-N 3.33Å
277	K	95.1	Very high	93.7	Very high	116 Å²	116	59.3 Å²	59.3	50%	0.504	31%	0.31	S	S	.	.	H	α-helix	trans	-59.5	-49.4	176.3	-178.2	-177.6	174.4	-174.1	0	111.9	S273 Q274 S279 E280 E281	S273-K277 WeakPolarHBondContact O-CB 3.5Å; S273-K277 PolarHBondContact O-N 3.18Å; Q274-K277 PolarHBondContact O-N 3.22Å; K277-S279 VanDerWaalsContact C-N 3.33Å; K277-S279 PolarHBondContact O-N 3.07Å; K277-E280 PolarHBondContact O-N 2.98Å; K277-E281 WeakPolarHBondContact CE-OE1 3.5Å; K277-E281 WeakPolarHBondContact O-CG 3.17Å; K277-E281 PolarHBondContact O-N 3.36Å
278	E	96.5	Very high	93.7	Very high	107 Å²	107	57.8 Å²	57.8	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-40.6	178.7	-72	174.6	-171	0	0	112.2	Q274 A282	Q274-E278 PolarHBondContact NE2-OE1 3.35Å; Q274-E278 WeakPolarHBondContact O-CG 3.36Å; Q274-E278 PolarHBondContact O-N 3.19Å; E278-A282 WeakPolarHBondContact O-CB 3.48Å; E278-A282 PolarHBondContact O-N 3.11Å
279	S	95.7	Very high	92.8	Very high	11 Å²	11	63.1 Å²	63.1	8%	0.077	33%	0.328	C	S	.	.	H	α-helix	trans	-64.8	-43.9	177.2	-59.7	0	0	0	0	111.2	I275 Q276 K277 A282 H283	I275-S279 WeakPolarHBondContact O-CB 3.36Å; I275-S279 PolarHBondContact O-N 3.13Å; I275-S279 PolarHBondContact O-OG 2.95Å; Q276-S279 PolarHBondContact O-N 3.05Å; K277-S279 VanDerWaalsContact C-N 3.33Å; K277-S279 PolarHBondContact O-N 3.07Å; S279-A282 PolarHBondContact O-N 3.14Å; S279-H283 PolarHBondContact O-N 3.13Å; S279-H283 PolarHBondContact O-ND1 3.15Å; S279-H283 VanDerWaalsContact O-ND1 3.09Å
280	E	94.7	Very high	91.4	Very high	18 Å²	18	63.3 Å²	63.3	8%	0.084	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-43.9	178.2	-171	-175.6	140.7	0	0	112.2	R145 E148 Q276 K277 A282 H283 R284	R145-E280 IonicContact CZ-OE1 2.83Å; R145-E280 IonicContact NH1-OE1 3.66Å; R145-E280 PolarHBondContact NH1-OE1 3.15Å; R145-E280 IonicContact NH2-OE1 3.64Å; R145-E280 PolarHBondContact NH2-OE1 3.44Å; R145-E280 IonicContact NH2-OE2 3.77Å; E148-E280 HydrophobicContact CB-CG 4.29Å; E148-E280 WeakPolarHBondContact O-CA 3.29Å; Q276-E280 WeakPolarHBondContact O-CB 3.49Å; Q276-E280 PolarHBondContact O-N 3.33Å; K277-E280 PolarHBondContact O-N 2.98Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.1Å; E280-H283 PolarHBondContact O-N 2.94Å; E280-R284 VanDerWaalsContact O-CB 3.31Å; E280-R284 WeakPolarHBondContact O-CB 3.38Å; E280-R284 PolarHBondContact O-N 3.07Å; E280-R284 IonicContact OE1-CZ 3.98Å; E280-R284 IonicContact OE1-NH2 3.71Å; E280-R284 PolarHBondContact OE1-NH2 3.17Å
281	E	94.3	Very high	89.8	Confident	101 Å²	101	62.8 Å²	62.8	47%	0.472	34%	0.342	S	S	.	.	H	α-helix	trans	-60.6	-41.8	175	-73.6	175.6	-173	0	0	111.6	K277 R284 C285	K277-E281 WeakPolarHBondContact CE-OE1 3.5Å; K277-E281 WeakPolarHBondContact O-CG 3.17Å; K277-E281 PolarHBondContact O-N 3.36Å; E281-R284 PolarHBondContact O-N 2.97Å; E281-C285 WeakPolarHBondContact O-CB 3.34Å; E281-C285 PolarHBondContact O-N 3.49Å
282	A	95.8	Very high	87.1	Confident	52 Å²	52	71.6 Å²	71.6	43%	0.43	38%	0.383	S	S	.	.	H	α-helix	trans	-63.7	-47.5	176.6	0	0	0	0	0	112.1	E278 S279 E280 C285 L286	E278-A282 WeakPolarHBondContact O-CB 3.48Å; E278-A282 PolarHBondContact O-N 3.11Å; S279-A282 PolarHBondContact O-N 3.14Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.1Å; A282-C285 WeakPolarHBondContact O-CB 3.46Å; A282-C285 PolarHBondContact O-N 3.14Å; A282-L286 WeakPolarHBondContact O-CG 3.43Å; A282-L286 PolarHBondContact O-N 3.29Å
283	H	95.3	Very high	86.6	Confident	40 Å²	40	75.2 Å²	75.2	19%	0.185	40%	0.402	C	S	.	.	H	α-helix	trans	-64	-41.2	177.4	-60.2	144.3	0	0	0	112.1	E148 G151 S279 E280 C285 L286 L287	E148-H283 VanDerWaalsContact O-CB 3.29Å; E148-H283 WeakPolarHBondContact O-CB 3.34Å; E148-H283 PolarHBondContact O-ND1 2.88Å; G151-H283 VanDerWaalsContact CA-CE1 3.41Å; G151-H283 WeakPolarHBondContact CA-CE1 3.46Å; G151-H283 WeakPolarHBondContact CA-ND1 3.21Å; G151-H283 PolarHBondContact N-CE1 2.82Å; G151-H283 VanDerWaalsContact N-CE1 3.34Å; G151-H283 PolarHBondContact N-ND1 2.96Å; S279-H283 PolarHBondContact O-N 3.13Å; S279-H283 PolarHBondContact O-ND1 3.15Å; S279-H283 VanDerWaalsContact O-ND1 3.09Å; E280-H283 PolarHBondContact O-N 2.94Å; H283-C285 VanDerWaalsContact C-N 3.3Å; H283-C285 PolarHBondContact O-N 3.39Å; H283-L286 PolarHBondContact O-N 3.12Å; H283-L286 VanDerWaalsContact O-N 3.14Å; H283-L287 WeakPolarHBondContact O-CG 3.47Å; H283-L287 PolarHBondContact O-N 2.89Å
284	R	92.9	Very high	86.2	Confident	96 Å²	96	77 Å²	77	36%	0.362	41%	0.409	S	S	.	.	H	α-helix	trans	-60	-40.9	176.1	-167.8	-173.1	-60	156	5	111.6	E148 E280 E281 G288	E148-R284 HydrophobicContact CG-CB 4.22Å; E148-R284 HydrophobicContact CG-CG 4.36Å; E148-R284 IonicContact OE2-NE 3.72Å; E280-R284 VanDerWaalsContact O-CB 3.31Å; E280-R284 WeakPolarHBondContact O-CB 3.38Å; E280-R284 PolarHBondContact O-N 3.07Å; E280-R284 IonicContact OE1-CZ 3.98Å; E280-R284 IonicContact OE1-NH2 3.71Å; E280-R284 PolarHBondContact OE1-NH2 3.17Å; E281-R284 PolarHBondContact O-N 2.97Å; R284-G288 PolarHBondContact O-N 3.42Å
285	C	93.2	Very high	85.6	Confident	69 Å²	69	75.9 Å²	75.9	47%	0.466	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-39.4	174.9	-176.2	0	0	0	0	112.3	E281 A282 H283 K289	E281-C285 WeakPolarHBondContact O-CB 3.34Å; E281-C285 PolarHBondContact O-N 3.49Å; A282-C285 WeakPolarHBondContact O-CB 3.46Å; A282-C285 PolarHBondContact O-N 3.14Å; H283-C285 VanDerWaalsContact C-N 3.3Å; H283-C285 PolarHBondContact O-N 3.39Å; C285-K289 WeakPolarHBondContact O-CG 3.11Å; C285-K289 PolarHBondContact O-N 3.08Å
286	L	91.8	Very high	85	Confident	112 Å²	112	77.9 Å²	77.9	59%	0.586	42%	0.418	S	S	*	.	H	α-helix	trans	-66.5	-45.1	176.4	-70.5	170.7	0	0	0	112.1	A282 H283 K289 A290	A282-L286 WeakPolarHBondContact O-CG 3.43Å; A282-L286 PolarHBondContact O-N 3.29Å; H283-L286 PolarHBondContact O-N 3.12Å; H283-L286 VanDerWaalsContact O-N 3.14Å; L286-K289 PolarHBondContact O-N 3.31Å; L286-A290 PolarHBondContact O-N 3.27Å
287	L	90.8	Very high	84.2	Confident	24 Å²	24	82.5 Å²	82.5	13%	0.126	44%	0.442	C	S	.	.	H	α-helix	trans	-65.2	-43.9	179	-72.1	166.4	0	0	0	111.9	Q147 E148 V152 H283 K289 A290 D291	Q147-L287 HydrophobicContact CB-CD1 3.78Å; Q147-L287 HydrophobicContact CB-CD2 4.4Å; E148-L287 HydrophobicContact CG-CD1 3.6Å; V152-L287 HydrophobicContact CG2-CD2 4.08Å; H283-L287 WeakPolarHBondContact O-CG 3.47Å; H283-L287 PolarHBondContact O-N 2.89Å; L287-K289 PolarHBondContact O-N 3.5Å; L287-A290 WeakPolarHBondContact O-CB 3.17Å; L287-A290 PolarHBondContact O-N 2.65Å; L287-D291 PolarHBondContact O-N 2.93Å
288	G	84.2	Confident	83.5	Confident	30 Å²	30	80.3 Å²	80.3	31%	0.309	44%	0.438	S	S	.	.	H	α-helix	trans	-65	-20.5	178.7	0	0	0	0	0	114.4	R284	R284-G288 PolarHBondContact O-N 3.42Å
289	K	69.2	Low	82.6	Confident	139 Å²	139	78.4 Å²	78.4	60%	0.604	43%	0.434	S	S	*	.	H	α-helix	trans	-81.5	-19.9	172.2	-72.7	175.8	-176.9	178.1	0	113.3	C285 L286 L287	C285-K289 WeakPolarHBondContact O-CG 3.11Å; C285-K289 PolarHBondContact O-N 3.08Å; L286-K289 PolarHBondContact O-N 3.31Å; L287-K289 PolarHBondContact O-N 3.5Å
290	A	62.4	Low	81.6	Confident	79 Å²	79	83.5 Å²	83.5	65%	0.653	46%	0.461	S	S	*	.	H	α-helix	trans	-83	-19.1	178.1	0	0	0	0	0	112.6	L286 L287 L292	L286-A290 PolarHBondContact O-N 3.27Å; L287-A290 WeakPolarHBondContact O-CB 3.17Å; L287-A290 PolarHBondContact O-N 2.65Å; A290-L292 VanDerWaalsContact C-N 3.32Å
291	D	58	Low	80.5	Confident	122 Å²	122	89 Å²	89	65%	0.652	49%	0.493	S	S	*	.			trans	-85	0.5	176.3	-63.8	-32.3	0	0	0	113.2	R144 L287	R144-D291 IonicContact NH2-OD2 3.93Å; L287-D291 PolarHBondContact O-N 2.93Å
292	L	38.1	Very low	79.2	Confident	204 Å²	204	87.9 Å²	87.9	100%	1.068	50%	0.495	S	S	*	.			trans	-110.9	0	-179.8	-74.5	169.7	0	0	0	111.8	A290	A290-L292 VanDerWaalsContact C-N 3.32Å

Retrieved 292 of 292 residues in 119.4 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).