K7U7V4_MAIZE Loading...

Response regulatory domain-containing protein

Functions as a response regulator involved in His-to-Asp phosphorelay signal transduction system. Phosphorylation of the Asp residue in the receiver domain activates the ability of the protein to promote the transcription of target genes. Type-A response regulators seem to act as negative regulators of the cytokinin signaling.

AlphaFold DB , UniProt , Accession K7U7V4, Species MAIZE (Zea mays, Maize), Gene LOC541624, Length 159 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	48.5	Very low	51.8	Low	248 Å²	248	127.3 Å²	127.3	100%	1.222	86%	0.86	S	S	*	*				0	119.2	0	-96.8	-173.8	160.7	0	0	107.3
2	A	48.3	Very low	52.1	Low	115 Å²	115	123.8 Å²	123.8	95%	0.95	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-77.3	133.8	-162.6	0	0	0	0	0	112.8
3	A	57.5	Low	51.8	Low	103 Å²	103	124.2 Å²	124.2	85%	0.851	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-102.6	156.8	179.8	0	0	0	0	0	111.4
4	A	47.5	Very low	51.8	Low	96 Å²	96	129 Å²	129	79%	0.793	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-84.8	157.4	-175.1	0	0	0	0	0	114.5
5	A	47.6	Very low	51.9	Low	84 Å²	84	127 Å²	127	69%	0.694	85%	0.848	S	S	*	*			trans	52	128.2	145.4	0	0	0	0	0	120.9
6	T	50.9	Low	51.4	Low	141 Å²	141	124.2 Å²	124.2	87%	0.865	85%	0.848	S	S	*	*				169.5	136.1	102.4	34.8	0	0	0	0	114
7	A	51.2	Low	51.5	Low	89 Å²	89	124.1 Å²	124.1	74%	0.736	84%	0.836	S	S	*	*			trans	21.9	135.8	149.5	0	0	0	0	0	123.6
8	T	60.1	Low	51.6	Low	140 Å²	140	129.4 Å²	129.4	86%	0.859	84%	0.836	S	S	*	*				-176.3	147.9	108.2	24.9	0	0	0	0	112
9	P	46.2	Very low	51.3	Low	125 Å²	125	133 Å²	133	81%	0.812	84%	0.837	S	S	*	*			trans	-102.3	160.6	-178.9	38.4	-30.6	0	0	0	113.2
10	S	61.4	Low	51.2	Low	116 Å²	116	131.1 Å²	131.1	81%	0.811	83%	0.834	S	S	*	*			trans	-157.5	107.2	162.8	-167	0	0	0	0	113.4
11	V	50.5	Low	50.9	Low	143 Å²	143	130.8 Å²	130.8	87%	0.867	83%	0.831	S	S	*	*			trans	37.1	127.9	137.1	-168	0	0	0	0	121.5
12	A	55.6	Low	51.1	Low	85 Å²	85	123.4 Å²	123.4	70%	0.702	81%	0.809	S	S	*	*			trans	-83.3	176.6	171.8	0	0	0	0	0	113.7
13	P	48.7	Very low	51.5	Low	129 Å²	129	123.1 Å²	123.1	84%	0.838	80%	0.797	S	S	*	*				-148.7	179.1	96	36.1	-15.9	0	0	0	116.8
14	E	51.6	Low	51.4	Low	192 Å²	192	124.1 Å²	124.1	90%	0.897	80%	0.795	S	S	*	*			trans	-67.5	158.3	-167.2	-61.9	169.1	96.3	0	0	118
15	A	52.7	Low	51.8	Low	99 Å²	99	126.2 Å²	126.2	82%	0.818	80%	0.798	S	S	*	*				163.2	121.8	106.3	0	0	0	0	0	114.1
16	G	44.8	Very low	51.9	Low	82 Å²	82	129.5 Å²	129.5	85%	0.845	80%	0.804	S	S	*	*			trans	51.7	153.2	143	0	0	0	0	0	121.6
17	D	52.5	Low	52	Low	123 Å²	123	127.4 Å²	127.4	66%	0.658	80%	0.8	S	S	*	*			cis	-166.9	152.7	4.4	-161.3	4.9	0	0	0	108.2
18	R	52.9	Low	52.1	Low	219 Å²	219	128.5 Å²	128.5	83%	0.826	80%	0.798	S	S	*	*			trans	67.2	107.8	160	-41.8	-167.1	-175.8	176.4	2.6	121.3
19	K	46.4	Very low	51.5	Low	198 Å²	198	129.2 Å²	129.2	86%	0.861	80%	0.796	S	S	*	*			trans	-96.6	115.2	157.8	-167.3	179.1	-175.9	-177.4	0	109.3
20	A	48.5	Very low	51.7	Low	94 Å²	94	129.5 Å²	129.5	78%	0.777	79%	0.79	S	S	*	*			trans	-94.6	125.7	167.2	0	0	0	0	0	109.3
21	V	46.5	Very low	51.1	Low	126 Å²	126	131.1 Å²	131.1	76%	0.764	79%	0.79	S	S	*	*			trans	-149.1	114.4	158.1	174.1	0	0	0	0	107.9
22	A	51.2	Low	51.1	Low	92 Å²	92	130.8 Å²	130.8	76%	0.76	78%	0.783	S	S	*	*			trans	-120.5	136.2	152.2	0	0	0	0	0	107
23	P	57.3	Low	50.7	Low	109 Å²	109	135.1 Å²	135.1	71%	0.708	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-73.8	157.3	178.7	31.1	-32.8	0	0	0	111.3
24	P	54.7	Low	50.9	Low	124 Å²	124	135.2 Å²	135.2	81%	0.805	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-74	137.8	-179.4	32.3	-32.1	0	0	0	110.1
25	V	56.3	Low	51	Low	141 Å²	141	134.5 Å²	134.5	86%	0.855	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-83.1	133.3	173.5	-72.1	0	0	0	0	109.8
26	D	49.9	Very low	51.3	Low	153 Å²	153	137.6 Å²	137.6	82%	0.818	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-56.7	130.9	179.8	-64.2	-56.8	0	0	0	112	V28	D26-V28 PolarHBondContact O-N 3.2Å
27	A	52.8	Low	52.6	Low	96 Å²	96	141.6 Å²	141.6	79%	0.793	78%	0.777	S	S	*	*			trans	-71.3	106.3	169.6	0	0	0	0	0	108.7
28	V	52.8	Low	54.2	Low	113 Å²	113	141.8 Å²	141.8	69%	0.685	77%	0.774	S	S	*	*			trans	-84.7	113.5	161.9	-75.1	0	0	0	0	107.5	D26 L30	D26-V28 PolarHBondContact O-N 3.2Å; V28-L30 VanDerWaalsContact C-N 3.31Å; V28-L30 HydrophobicContact CB-CD1 4.17Å; V28-L30 HydrophobicContact CG2-CD1 3.66Å; V28-L30 PolarHBondContact O-N 2.92Å
29	D	47.9	Very low	56	Low	154 Å²	154	134.3 Å²	134.3	82%	0.824	75%	0.747	S	S	*	*			trans	-61.7	94.7	166.1	-71.2	-51.3	0	0	0	107.8	D31	D29-D31 PolarHBondContact O-N 3.31Å
30	L	50	Low	58.4	Low	131 Å²	131	125 Å²	125	69%	0.686	71%	0.706	S	S	*	*			trans	-78.7	103	165.1	-99.4	79.1	0	0	0	106.6	V28 L32	V28-L30 VanDerWaalsContact C-N 3.31Å; V28-L30 HydrophobicContact CB-CD1 4.17Å; V28-L30 HydrophobicContact CG2-CD1 3.66Å; V28-L30 PolarHBondContact O-N 2.92Å; L30-L32 VanDerWaalsContact C-N 3.27Å; L30-L32 PolarHBondContact O-N 2.85Å
31	D	49.8	Very low	60.7	Low	150 Å²	150	120.5 Å²	120.5	80%	0.802	67%	0.669	S	S	*	*			trans	-52.5	97	157.8	-69.9	-47.9	0	0	0	107.8	D29 E33	D29-D31 PolarHBondContact O-N 3.31Å; D31-E33 PolarHBondContact O-N 2.83Å
32	L	50.8	Low	63.1	Low	137 Å²	137	114.5 Å²	114.5	72%	0.717	63%	0.633	S	S	*	*			trans	-69.4	80.9	166.7	-85.3	107.8	0	0	0	107.4	L30 L34	L30-L32 VanDerWaalsContact C-N 3.27Å; L30-L32 PolarHBondContact O-N 2.85Å; L32-L34 HydrophobicContact CB-CG 4.39Å; L32-L34 HydrophobicContact CD2-CD2 3.72Å; L32-L34 HydrophobicContact CD2-CG 4.38Å; L32-L34 PolarHBondContact O-N 2.86Å
33	E	46.3	Very low	65.4	Low	176 Å²	176	110.1 Å²	110.1	82%	0.822	60%	0.597	S	S	*	*			trans	-61.3	86.6	144.1	-73.9	169	143.5	0	0	105.4	D31 E35	D31-E33 PolarHBondContact O-N 2.83Å; E33-E35 PolarHBondContact O-N 2.75Å
34	L	53.7	Low	67.3	Low	130 Å²	130	104.9 Å²	104.9	68%	0.681	56%	0.563	S	S	*	*			trans	-58.5	91.4	162.7	-68.7	171.2	0	0	0	105.2	L32 L36	L32-L34 HydrophobicContact CB-CG 4.39Å; L32-L34 HydrophobicContact CD2-CD2 3.72Å; L32-L34 HydrophobicContact CD2-CG 4.38Å; L32-L34 PolarHBondContact O-N 2.86Å; L34-L36 VanDerWaalsContact C-N 3.25Å; L34-L36 PolarHBondContact O-N 2.81Å
35	E	53.1	Low	69.4	Low	178 Å²	178	99 Å²	99	83%	0.832	53%	0.525	S	S	*	.			trans	-51.1	103.2	160.1	-71	-168.2	149.2	0	0	104.5	E33 E37	E33-E35 PolarHBondContact O-N 2.75Å; E35-E37 PolarHBondContact O-N 2.73Å
36	L	59.7	Low	71.4	Confident	164 Å²	164	95.6 Å²	95.6	86%	0.859	50%	0.501	S	S	*	.			trans	-61.5	96.3	177.2	-74.9	168	0	0	0	105.7	L34 E38	L34-L36 VanDerWaalsContact C-N 3.25Å; L34-L36 PolarHBondContact O-N 2.81Å; L36-E38 PolarHBondContact O-N 3.12Å; L36-E38 VanDerWaalsContact O-N 3.12Å
37	E	71.4	Confident	73.7	Confident	166 Å²	166	90.1 Å²	90.1	78%	0.776	48%	0.475	S	S	*	.			trans	-51.3	123.5	-178.7	-77.8	-178.9	169.7	0	0	108.3	E35 K39	E35-E37 PolarHBondContact O-N 2.73Å; E37-K39 PolarHBondContact O-N 2.73Å
38	E	85.7	Confident	75.8	Confident	127 Å²	127	89.3 Å²	89.3	59%	0.593	46%	0.464	S	S	*	.			trans	-57.7	111.3	178.8	-71.1	-169.9	162.9	0	0	108.8	L36 H40 R64	L36-E38 PolarHBondContact O-N 3.12Å; L36-E38 VanDerWaalsContact O-N 3.12Å; E38-H40 PolarHBondContact O-N 2.95Å; E38-R64 HydrophobicContact CB-CB 4.33Å
39	K	92.2	Very high	78	Confident	62 Å²	62	88.6 Å²	88.6	27%	0.27	46%	0.459	S	S	.	.			trans	-58.8	132.4	-178.9	-63.9	-63.5	-172.8	174.9	0	109.9	E37 Y63 R64 N87 I158 R159	E37-K39 PolarHBondContact O-N 2.73Å; K39-Y63 HydrophobicContact CB-CD1 3.76Å; K39-Y63 HydrophobicContact CB-CE1 3.89Å; K39-Y63 WeakPolarHBondContact O-CA 3.45Å; K39-Y63 WeakPolarHBondContact O-CD1 3.12Å; K39-R64 PolarHBondContact O-N 2.73Å; K39-N87 WeakPolarHBondContact CA-OD1 3.33Å; K39-N87 HydrophobicContact CB-CB 4.45Å; K39-N87 HydrophobicContact CD-CB 4.24Å; K39-I158 HydrophobicContact CB-CG2 3.85Å; K39-I158 HydrophobicContact CD-CG2 3.74Å; K39-I158 HydrophobicContact CG-CG2 3.67Å; K39-R159 PolarHBondContact NZ-O 3.33Å; K39-R159 PolarHBondContact NZ-OXT 3.15Å
40	H	95.5	Very high	80.3	Confident	1 Å²	1	83.8 Å²	83.8	1%	0.005	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.8	-176.2	-172.7	-167.3	0	0	0	111.5	E38 R64 T66 V83 P84 D85 N87 M88	E38-H40 PolarHBondContact O-N 2.95Å; H40-R64 CarbonylContact C-O 3.37Å; H40-R64 WeakPolarHBondContact CA-O 3.3Å; H40-R64 HydrophobicContact CB-CB 4.47Å; H40-R64 PolarHBondContact CD2-O 3.15Å; H40-R64 VanDerWaalsContact ND1-CZ 3.28Å; H40-R64 PolarHBondContact ND1-NH2 3.24Å; H40-T66 PolarHBondContact CE1-OG1 2.94Å; H40-T66 WeakPolarHBondContact NE2-CB 3.12Å; H40-T66 PolarHBondContact NE2-OG1 3.15Å; H40-V83 WeakPolarHBondContact CE1-CG1 3.44Å; H40-P84 PolarHBondContact ND1-O 3.4Å; H40-D85 VanDerWaalsContact CB-O 3.3Å; H40-D85 WeakPolarHBondContact CB-O 3.46Å; H40-N87 PolarHBondContact N-OD1 3.26Å; H40-N87 PolarHBondContact O-N 2.99Å; H40-M88 PolarHBondContact O-N 2.97Å
41	V	96.6	Very high	82.6	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.1	175.3	-175.9	0	0	0	0	110.2	L58 Y63 R64 V65 T66 M88 I90 I158	V41-L58 HydrophobicContact CB-CD1 4.21Å; V41-L58 HydrophobicContact CG1-CD1 3.74Å; V41-L58 HydrophobicContact CG1-CD2 4.27Å; V41-L58 HydrophobicContact CG2-CD2 4.3Å; V41-Y63 HydrophobicContact CG2-CD1 3.77Å; V41-Y63 HydrophobicContact CG2-CD2 4.5Å; V41-Y63 HydrophobicContact CG2-CE1 4.46Å; V41-Y63 HydrophobicContact CG2-CG 3.81Å; V41-R64 PolarHBondContact N-O 2.91Å; V41-V65 WeakPolarHBondContact O-CA 3.46Å; V41-T66 PolarHBondContact O-N 3.36Å; V41-T66 VanDerWaalsContact O-N 3.07Å; V41-M88 WeakPolarHBondContact CA-O 3.44Å; V41-M88 HydrophobicContact CG1-CB 4.5Å; V41-M88 HydrophobicContact CG2-CB 4.3Å; V41-I90 HydrophobicContact CG1-CB 4.39Å; V41-I90 HydrophobicContact CG1-CG2 3.68Å; V41-I158 HydrophobicContact CG2-CD1 4.49Å
42	L	98.2	Very high	84.8	Confident	0 Å²	0	75.6 Å²	75.6	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	108.7	168.8	-175.8	63.5	0	0	0	109	V44 T66 V68 A74 L78 V83 V86 M88 I89 I90	L42-V44 HydrophobicContact CD2-CG2 4.36Å; L42-V44 HydrophobicContact CG-CG2 4.02Å; L42-T66 WeakPolarHBondContact CA-O 3.45Å; L42-T66 HydrophobicContact CD1-CG2 3.88Å; L42-V68 HydrophobicContact CD1-CG2 3.58Å; L42-A74 HydrophobicContact CD2-CB 4.12Å; L42-L78 HydrophobicContact CD2-CD1 4.02Å; L42-L78 HydrophobicContact CD2-CD2 4.14Å; L42-L78 HydrophobicContact CD2-CG 4.02Å; L42-V83 HydrophobicContact CD1-CG1 4.41Å; L42-V86 HydrophobicContact CB-CG1 3.86Å; L42-V86 HydrophobicContact CB-CG2 4.35Å; L42-M88 PolarHBondContact N-O 3Å; L42-I89 HydrophobicContact CB-CG1 4.25Å; L42-I89 HydrophobicContact CD2-CG1 4.31Å; L42-I89 WeakPolarHBondContact O-CA 3.47Å; L42-I90 PolarHBondContact O-N 3.44Å
43	A	98.2	Very high	87	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	117.8	178.8	0	0	0	0	0	111	I54 L58 V65 T66 T67 V68 I90	A43-I54 HydrophobicContact CB-CG2 4.11Å; A43-L58 HydrophobicContact CB-CD1 4.33Å; A43-V65 HydrophobicContact CB-CG1 4.03Å; A43-T66 PolarHBondContact N-O 3.02Å; A43-T67 HydrophobicContact CB-CG2 4.35Å; A43-T67 CarbonylContact O-C 3.58Å; A43-T67 VanDerWaalsContact O-CA 3.3Å; A43-T67 WeakPolarHBondContact O-CA 3.36Å; A43-V68 PolarHBondContact O-N 2.63Å; A43-I90 CarbonylContact C-O 3.58Å; A43-I90 WeakPolarHBondContact CA-O 3.38Å; A43-I90 HydrophobicContact CB-CG2 3.85Å
44	V	98.7	Very high	89.4	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.5	-173.9	-166.3	0	0	0	0	109.8	L42 V68 S70 A74 I89 I90 T91 D92 M95 L103	L42-V44 HydrophobicContact CD2-CG2 4.36Å; L42-V44 HydrophobicContact CG-CG2 4.02Å; V44-V68 WeakPolarHBondContact CA-O 3.43Å; V44-S70 VanDerWaalsContact CG1-C 3.49Å; V44-S70 WeakPolarHBondContact CG1-O 3.29Å; V44-A74 HydrophobicContact CG1-CB 4.08Å; V44-A74 HydrophobicContact CG2-CB 3.68Å; V44-I89 HydrophobicContact CG2-CG2 4.29Å; V44-I90 PolarHBondContact N-O 3.43Å; V44-T91 CarbonylContact O-C 3.39Å; V44-T91 WeakPolarHBondContact O-CA 3.49Å; V44-D92 PolarHBondContact O-N 3.38Å; V44-M95 HydrophobicContact CG1-CE 3.93Å; V44-M95 HydrophobicContact CG1-SD 3.74Å; V44-L103 HydrophobicContact CB-CD2 4.49Å; V44-L103 HydrophobicContact CG1-CD2 4.42Å; V44-L103 HydrophobicContact CG2-CD2 4.3Å
45	D	98.4	Very high	91.5	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	31%	0.31	C	S	.	.			trans	-161.8	133.4	-178.5	-165.6	-53.6	0	0	0	108	S47 D50 R51 V68 D69 D92 K144	D45-S47 VanDerWaalsContact OD1-CB 3.3Å; D45-S47 WeakPolarHBondContact OD1-CB 3.38Å; D45-S47 PolarHBondContact OD1-N 3.32Å; D45-D50 VanDerWaalsContact OD2-CB 3.28Å; D45-D50 WeakPolarHBondContact OD2-CB 3.19Å; D45-R51 HydrophobicContact CB-CB 4.04Å; D45-R51 HydrophobicContact CB-CG 4.48Å; D45-R51 WeakPolarHBondContact O-CD 3.38Å; D45-R51 PolarHBondContact O-NH1 2.95Å; D45-V68 PolarHBondContact N-O 3.01Å; D45-V68 VanDerWaalsContact N-O 3.13Å; D45-D69 WeakPolarHBondContact O-CA 3.32Å; D45-D92 HydrophobicContact CB-CB 4.3Å; D45-K144 IonicContact OD1-NZ 2.78Å; D45-K144 WeakPolarHBondContact OD2-CE 3.41Å; D45-K144 IonicContact OD2-NZ 2.83Å; D45-K144 PolarHBondContact OD2-NZ 3.12Å
46	D	98.2	Very high	93.6	Very high	68 Å²	68	57.1 Å²	57.1	36%	0.364	30%	0.304	S	S	.	.	S	Bend	trans	-75.4	-31.1	-179.3	69.6	-49.2	0	0	0	111.9	S48 R51 D69 M95 P96	D46-S48 PolarHBondContact O-N 3.15Å; D46-R51 PolarHBondContact O-NH1 2.83Å; D46-D69 VanDerWaalsContact CA-O 3.28Å; D46-D69 WeakPolarHBondContact CA-O 3.4Å; D46-M95 HydrophobicContact CB-CB 4.43Å; D46-M95 HydrophobicContact CB-CG 4.15Å; D46-P96 VanDerWaalsContact OD2-CD 3.26Å; D46-P96 WeakPolarHBondContact OD2-CD 3.48Å
47	S	98	Very high	95.3	Very high	38 Å²	38	50 Å²	50	27%	0.266	27%	0.267	S	S	.	.			trans	-70.5	115	175	174	0	0	0	0	110.8	D45 V49 D50 R51	D45-S47 VanDerWaalsContact OD1-CB 3.3Å; D45-S47 WeakPolarHBondContact OD1-CB 3.38Å; D45-S47 PolarHBondContact OD1-N 3.32Å; S47-V49 PolarHBondContact O-N 2.99Å; S47-D50 PolarHBondContact O-N 3.42Å; S47-D50 PolarHBondContact OG-N 3.17Å; S47-R51 WeakPolarHBondContact O-CB 3.38Å; S47-R51 PolarHBondContact O-N 2.98Å
48	S	97.5	Very high	96.5	Very high	80 Å²	80	42.2 Å²	42.2	56%	0.559	23%	0.23	S	C	*	.	H	α-helix	trans	-60	-30	177.1	59.9	0	0	0	0	113	D46 A52	D46-S48 PolarHBondContact O-N 3.15Å; S48-A52 VanDerWaalsContact O-CB 3.29Å; S48-A52 WeakPolarHBondContact O-CB 3.3Å; S48-A52 PolarHBondContact O-N 3.15Å; S48-A52 VanDerWaalsContact O-N 3.09Å
49	V	97.2	Very high	96.9	Very high	97 Å²	97	42.4 Å²	42.4	59%	0.588	23%	0.226	S	C	*	.	H	α-helix	trans	-71	-52.2	177.3	177.8	0	0	0	0	110.4	S47 R51 A52 V53	S47-V49 PolarHBondContact O-N 2.99Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.4Å; V49-A52 PolarHBondContact O-N 3.07Å; V49-V53 WeakPolarHBondContact O-CG2 3.47Å; V49-V53 PolarHBondContact O-N 3.45Å
50	D	96.8	Very high	97	Very high	53 Å²	53	43.2 Å²	43.2	28%	0.283	24%	0.239	S	C	.	.	H	α-helix	trans	-65.1	-41.5	-178.9	-69.1	-14.1	0	0	0	110.7	D45 S47 A52 V53 I54 K144	D45-D50 VanDerWaalsContact OD2-CB 3.28Å; D45-D50 WeakPolarHBondContact OD2-CB 3.19Å; S47-D50 PolarHBondContact O-N 3.42Å; S47-D50 PolarHBondContact OG-N 3.17Å; D50-A52 VanDerWaalsContact C-N 3.3Å; D50-A52 PolarHBondContact O-N 3.36Å; D50-V53 PolarHBondContact O-N 3.07Å; D50-V53 VanDerWaalsContact O-N 3.15Å; D50-I54 WeakPolarHBondContact O-CG2 3.21Å; D50-I54 PolarHBondContact O-N 3.32Å; D50-K144 IonicContact OD2-NZ 3.71Å; D50-K144 PolarHBondContact OD2-NZ 3.05Å
51	R	97.9	Very high	96.8	Very high	49 Å²	49	45 Å²	45	19%	0.185	25%	0.252	C	S	.	.	H	α-helix	trans	-56.1	-42.7	173	-165.7	163.3	64.5	-112	6.6	112.2	D45 D46 S47 V49 I54 A55 T67 V68	D45-R51 HydrophobicContact CB-CB 4.04Å; D45-R51 HydrophobicContact CB-CG 4.48Å; D45-R51 WeakPolarHBondContact O-CD 3.38Å; D45-R51 PolarHBondContact O-NH1 2.95Å; D46-R51 PolarHBondContact O-NH1 2.83Å; S47-R51 WeakPolarHBondContact O-CB 3.38Å; S47-R51 PolarHBondContact O-N 2.98Å; V49-R51 VanDerWaalsContact C-N 3.34Å; V49-R51 PolarHBondContact O-N 3.4Å; R51-I54 WeakPolarHBondContact O-CG2 3.37Å; R51-A55 WeakPolarHBondContact O-CB 3.44Å; R51-A55 PolarHBondContact O-N 2.83Å; R51-A55 VanDerWaalsContact O-N 3.1Å; R51-T67 HydrophobicContact CG-CG2 4.07Å; R51-V68 WeakPolarHBondContact CD-O 3.36Å
52	A	97.6	Very high	96.5	Very high	61 Å²	61	52.8 Å²	52.8	50%	0.504	29%	0.286	S	S	.	.	H	α-helix	trans	-69.4	-40	176.9	0	0	0	0	0	112.4	S48 V49 D50 K56	S48-A52 VanDerWaalsContact O-CB 3.29Å; S48-A52 WeakPolarHBondContact O-CB 3.3Å; S48-A52 PolarHBondContact O-N 3.15Å; S48-A52 VanDerWaalsContact O-N 3.09Å; V49-A52 PolarHBondContact O-N 3.07Å; D50-A52 VanDerWaalsContact C-N 3.3Å; D50-A52 PolarHBondContact O-N 3.36Å; A52-K56 WeakPolarHBondContact O-CB 3.42Å; A52-K56 PolarHBondContact O-N 3.15Å
53	V	96.5	Very high	96.3	Very high	65 Å²	65	53.7 Å²	53.7	39%	0.394	29%	0.289	S	S	.	.	H	α-helix	trans	-62.4	-52.9	177.2	170	0	0	0	0	110.5	V49 D50 A55 K56 I57	V49-V53 WeakPolarHBondContact O-CG2 3.47Å; V49-V53 PolarHBondContact O-N 3.45Å; D50-V53 PolarHBondContact O-N 3.07Å; D50-V53 VanDerWaalsContact O-N 3.15Å; V53-A55 VanDerWaalsContact C-N 3.34Å; V53-A55 PolarHBondContact O-N 2.78Å; V53-K56 PolarHBondContact O-N 3.11Å; V53-I57 HydrophobicContact CG1-CD1 3.9Å; V53-I57 WeakPolarHBondContact O-CG1 3.24Å; V53-I57 PolarHBondContact O-N 2.85Å
54	I	97	Very high	96.2	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.021	31%	0.307	C	S	.	.	H	α-helix	trans	-64.5	-40.3	-178.4	-169	57.8	0	0	0	111.5	A43 D50 R51 K56 I57 L58 I90 M121 V146 V151	A43-I54 HydrophobicContact CB-CG2 4.11Å; D50-I54 WeakPolarHBondContact O-CG2 3.21Å; D50-I54 PolarHBondContact O-N 3.32Å; R51-I54 WeakPolarHBondContact O-CG2 3.37Å; I54-K56 VanDerWaalsContact C-N 3.32Å; I54-K56 PolarHBondContact O-N 3.28Å; I54-I57 PolarHBondContact O-N 2.74Å; I54-L58 HydrophobicContact CD1-CD1 4.44Å; I54-L58 HydrophobicContact CD1-CG 4.32Å; I54-L58 HydrophobicContact CG1-CD1 3.91Å; I54-L58 HydrophobicContact CG1-CG 4.29Å; I54-L58 WeakPolarHBondContact O-CB 3.25Å; I54-L58 WeakPolarHBondContact O-CG 3.3Å; I54-L58 PolarHBondContact O-N 2.98Å; I54-I90 HydrophobicContact CD1-CD1 3.87Å; I54-I90 HydrophobicContact CG1-CD1 4.04Å; I54-I90 HydrophobicContact CG1-CG2 4.34Å; I54-M121 HydrophobicContact CB-SD 4.32Å; I54-M121 HydrophobicContact CD1-SD 4.05Å; I54-M121 HydrophobicContact CG1-CE 4.43Å; I54-M121 HydrophobicContact CG1-SD 3.84Å; I54-M121 HydrophobicContact CG2-CE 4.46Å; I54-V146 HydrophobicContact CD1-CB 4.12Å; I54-V146 HydrophobicContact CD1-CG1 3.73Å; I54-V146 HydrophobicContact CD1-CG2 4.49Å; I54-V151 HydrophobicContact CD1-CG2 4.22Å
55	A	97.4	Very high	96.1	Very high	1 Å²	1	59 Å²	59	1%	0.008	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-38.7	176.8	0	0	0	0	0	112.2	R51 V53 R59 V65 T67	R51-A55 WeakPolarHBondContact O-CB 3.44Å; R51-A55 PolarHBondContact O-N 2.83Å; R51-A55 VanDerWaalsContact O-N 3.1Å; V53-A55 VanDerWaalsContact C-N 3.34Å; V53-A55 PolarHBondContact O-N 2.78Å; A55-R59 VanDerWaalsContact O-CB 3.32Å; A55-R59 WeakPolarHBondContact O-CB 3.46Å; A55-R59 WeakPolarHBondContact O-CG 3.32Å; A55-R59 PolarHBondContact O-N 3.26Å; A55-V65 HydrophobicContact CB-CG1 4.12Å; A55-T67 HydrophobicContact CB-CG2 3.68Å
56	K	97.2	Very high	96.1	Very high	162 Å²	162	61 Å²	61	70%	0.704	32%	0.323	S	S	*	.	H	α-helix	trans	-64.1	-44.7	175	-177.3	177.6	179.7	178.3	0	111.5	A52 V53 I54 S60	A52-K56 WeakPolarHBondContact O-CB 3.42Å; A52-K56 PolarHBondContact O-N 3.15Å; V53-K56 PolarHBondContact O-N 3.11Å; I54-K56 VanDerWaalsContact C-N 3.32Å; I54-K56 PolarHBondContact O-N 3.28Å; K56-S60 WeakPolarHBondContact O-CB 3.46Å; K56-S60 PolarHBondContact O-N 3.24Å
57	I	95.8	Very high	96.1	Very high	16 Å²	16	60.5 Å²	60.5	8%	0.082	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-51	178.8	-64.9	168.5	0	0	0	110.2	V53 I54 R59 S60 S61 V146 P148 V151	V53-I57 HydrophobicContact CG1-CD1 3.9Å; V53-I57 WeakPolarHBondContact O-CG1 3.24Å; V53-I57 PolarHBondContact O-N 2.85Å; I54-I57 PolarHBondContact O-N 2.74Å; I57-R59 PolarHBondContact O-N 3.37Å; I57-S60 PolarHBondContact O-N 2.95Å; I57-S60 VanDerWaalsContact O-N 3.15Å; I57-S60 PolarHBondContact O-OG 3.06Å; I57-S61 PolarHBondContact O-N 3.46Å; I57-S61 VanDerWaalsContact O-N 3.12Å; I57-S61 PolarHBondContact O-OG 3.13Å; I57-V146 WeakPolarHBondContact CD1-O 3.34Å; I57-P148 HydrophobicContact CG1-CG 4.38Å; I57-P148 HydrophobicContact CG2-CB 4.26Å; I57-P148 HydrophobicContact CG2-CG 4.24Å; I57-V151 HydrophobicContact CG2-CB 3.96Å; I57-V151 HydrophobicContact CG2-CG1 4.48Å; I57-V151 HydrophobicContact CG2-CG2 3.6Å
58	L	95.4	Very high	96.1	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-59.7	-45	179.3	-71.7	167.1	0	0	0	112.7	V41 A43 I54 S60 S61 K62 Y63 V65 I90 V151	V41-L58 HydrophobicContact CB-CD1 4.21Å; V41-L58 HydrophobicContact CG1-CD1 3.74Å; V41-L58 HydrophobicContact CG1-CD2 4.27Å; V41-L58 HydrophobicContact CG2-CD2 4.3Å; A43-L58 HydrophobicContact CB-CD1 4.33Å; I54-L58 HydrophobicContact CD1-CD1 4.44Å; I54-L58 HydrophobicContact CD1-CG 4.32Å; I54-L58 HydrophobicContact CG1-CD1 3.91Å; I54-L58 HydrophobicContact CG1-CG 4.29Å; I54-L58 WeakPolarHBondContact O-CB 3.25Å; I54-L58 WeakPolarHBondContact O-CG 3.3Å; I54-L58 PolarHBondContact O-N 2.98Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 3Å; L58-S61 CarbonylContact O-C 3.58Å; L58-S61 WeakPolarHBondContact O-CA 3.37Å; L58-S61 WeakPolarHBondContact O-CB 3.33Å; L58-S61 PolarHBondContact O-N 3.32Å; L58-K62 PolarHBondContact O-N 3.49Å; L58-Y63 HydrophobicContact CB-CD2 4.28Å; L58-Y63 HydrophobicContact CD2-CD2 3.77Å; L58-Y63 HydrophobicContact CD2-CE2 4.26Å; L58-Y63 HydrophobicContact CD2-CG 4.44Å; L58-Y63 WeakPolarHBondContact O-CD2 3.37Å; L58-Y63 PolarHBondContact O-N 3.38Å; L58-Y63 VanDerWaalsContact O-N 3.17Å; L58-V65 HydrophobicContact CB-CG2 3.47Å; L58-V65 VanDerWaalsContact CB-CG2 3.47Å; L58-V65 HydrophobicContact CD1-CG1 4.16Å; L58-V65 HydrophobicContact CD1-CG2 4.17Å; L58-V65 HydrophobicContact CG-CG2 4.48Å; L58-I90 HydrophobicContact CD1-CG2 4.01Å; L58-V151 HydrophobicContact CD2-CG1 3.86Å; L58-V151 HydrophobicContact CD2-CG2 4.2Å
59	R	95.2	Very high	96.1	Very high	131 Å²	131	59.3 Å²	59.3	49%	0.494	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-36.7	176.3	-72.3	173.5	-173.1	136	4.3	112.1	A55 I57 S61 K62 V65	A55-R59 VanDerWaalsContact O-CB 3.32Å; A55-R59 WeakPolarHBondContact O-CB 3.46Å; A55-R59 WeakPolarHBondContact O-CG 3.32Å; A55-R59 PolarHBondContact O-N 3.26Å; I57-R59 PolarHBondContact O-N 3.37Å; R59-S61 PolarHBondContact O-N 3.34Å; R59-K62 PolarHBondContact O-N 3.28Å; R59-K62 VanDerWaalsContact O-N 3.07Å; R59-V65 HydrophobicContact CG-CB 4.18Å; R59-V65 HydrophobicContact CG-CG2 3.75Å; R59-V65 PolarHBondContact NH2-O 3.5Å
60	S	93.7	Very high	96.1	Very high	80 Å²	80	56.1 Å²	56.1	56%	0.559	29%	0.29	S	S	*	.	H	α-helix	trans	-64.5	-26.4	173.8	74.5	0	0	0	0	112.8	K56 I57 L58 K62	K56-S60 WeakPolarHBondContact O-CB 3.46Å; K56-S60 PolarHBondContact O-N 3.24Å; I57-S60 PolarHBondContact O-N 2.95Å; I57-S60 VanDerWaalsContact O-N 3.15Å; I57-S60 PolarHBondContact O-OG 3.06Å; L58-S60 VanDerWaalsContact C-N 3.3Å; L58-S60 PolarHBondContact O-N 3Å; S60-K62 VanDerWaalsContact C-N 3.31Å
61	S	91	Very high	96.2	Very high	39 Å²	39	53.7 Å²	53.7	27%	0.273	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	16.5	173	-61.1	0	0	0	0	114	I57 L58 R59 Y63	I57-S61 PolarHBondContact O-N 3.46Å; I57-S61 VanDerWaalsContact O-N 3.12Å; I57-S61 PolarHBondContact O-OG 3.13Å; L58-S61 CarbonylContact O-C 3.58Å; L58-S61 WeakPolarHBondContact O-CA 3.37Å; L58-S61 WeakPolarHBondContact O-CB 3.33Å; L58-S61 PolarHBondContact O-N 3.32Å; R59-S61 PolarHBondContact O-N 3.34Å; S61-Y63 VanDerWaalsContact C-N 3.3Å; S61-Y63 PolarHBondContact O-N 2.93Å
62	K	90.9	Very high	96.2	Very high	162 Å²	162	54.4 Å²	54.4	70%	0.704	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	24.3	175.8	-52.6	-62	-172.3	171.8	0	115.4	L58 R59 S60	L58-K62 PolarHBondContact O-N 3.49Å; R59-K62 PolarHBondContact O-N 3.28Å; R59-K62 VanDerWaalsContact O-N 3.07Å; S60-K62 VanDerWaalsContact C-N 3.31Å
63	Y	93.6	Very high	96.2	Very high	20 Å²	20	56.6 Å²	56.6	8%	0.078	28%	0.282	C	S	.	.			trans	-84.1	140.4	167.5	-64.2	-67.8	0	0	0	111.1	K39 V41 L58 S61 V151 C155 I158	K39-Y63 HydrophobicContact CB-CD1 3.76Å; K39-Y63 HydrophobicContact CB-CE1 3.89Å; K39-Y63 WeakPolarHBondContact O-CA 3.45Å; K39-Y63 WeakPolarHBondContact O-CD1 3.12Å; V41-Y63 HydrophobicContact CG2-CD1 3.77Å; V41-Y63 HydrophobicContact CG2-CD2 4.5Å; V41-Y63 HydrophobicContact CG2-CE1 4.46Å; V41-Y63 HydrophobicContact CG2-CG 3.81Å; L58-Y63 HydrophobicContact CB-CD2 4.28Å; L58-Y63 HydrophobicContact CD2-CD2 3.77Å; L58-Y63 HydrophobicContact CD2-CE2 4.26Å; L58-Y63 HydrophobicContact CD2-CG 4.44Å; L58-Y63 WeakPolarHBondContact O-CD2 3.37Å; L58-Y63 PolarHBondContact O-N 3.38Å; L58-Y63 VanDerWaalsContact O-N 3.17Å; S61-Y63 VanDerWaalsContact C-N 3.3Å; S61-Y63 PolarHBondContact O-N 2.93Å; Y63-V151 HydrophobicContact CD2-CG1 4.39Å; Y63-V151 HydrophobicContact CE2-CG1 3.88Å; Y63-C155 WeakPolarHBondContact OH-CA 3.19Å; Y63-C155 PolarHBondContact OH-SG 2.93Å; Y63-I158 HydrophobicContact CD1-CD1 4.17Å; Y63-I158 HydrophobicContact CE1-CD1 3.3Å; Y63-I158 WeakPolarHBondContact OH-CD1 3.44Å
64	R	95.3	Very high	96.3	Very high	95 Å²	95	53.5 Å²	53.5	36%	0.358	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.2	157.2	-178.2	173.1	69.2	127.9	-7.9	107.4	E38 K39 H40 V41 P84	E38-R64 HydrophobicContact CB-CB 4.33Å; K39-R64 PolarHBondContact O-N 2.73Å; H40-R64 CarbonylContact C-O 3.37Å; H40-R64 WeakPolarHBondContact CA-O 3.3Å; H40-R64 HydrophobicContact CB-CB 4.47Å; H40-R64 PolarHBondContact CD2-O 3.15Å; H40-R64 VanDerWaalsContact ND1-CZ 3.28Å; H40-R64 PolarHBondContact ND1-NH2 3.24Å; V41-R64 PolarHBondContact N-O 2.91Å; R64-P84 PolarHBondContact NH2-O 2.78Å; R64-P84 VanDerWaalsContact NH2-O 3.15Å
65	V	96.8	Very high	96.4	Very high	15 Å²	15	54.7 Å²	54.7	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118	-174.8	-172.2	0	0	0	0	111.9	V41 A43 A55 L58 R59 T67	V41-V65 WeakPolarHBondContact O-CA 3.46Å; A43-V65 HydrophobicContact CB-CG1 4.03Å; A55-V65 HydrophobicContact CB-CG1 4.12Å; L58-V65 HydrophobicContact CB-CG2 3.47Å; L58-V65 VanDerWaalsContact CB-CG2 3.47Å; L58-V65 HydrophobicContact CD1-CG1 4.16Å; L58-V65 HydrophobicContact CD1-CG2 4.17Å; L58-V65 HydrophobicContact CG-CG2 4.48Å; R59-V65 HydrophobicContact CG-CB 4.18Å; R59-V65 HydrophobicContact CG-CG2 3.75Å; R59-V65 PolarHBondContact NH2-O 3.5Å; V65-T67 HydrophobicContact CG1-CG2 4.12Å
66	T	98.2	Very high	96.3	Very high	44 Å²	44	58.7 Å²	58.7	27%	0.27	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	132	164.3	-64.2	0	0	0	0	108.9	H40 V41 L42 A43 V83	H40-T66 PolarHBondContact CE1-OG1 2.94Å; H40-T66 WeakPolarHBondContact NE2-CB 3.12Å; H40-T66 PolarHBondContact NE2-OG1 3.15Å; V41-T66 PolarHBondContact O-N 3.36Å; V41-T66 VanDerWaalsContact O-N 3.07Å; L42-T66 WeakPolarHBondContact CA-O 3.45Å; L42-T66 HydrophobicContact CD1-CG2 3.88Å; A43-T66 PolarHBondContact N-O 3.02Å; T66-V83 HydrophobicContact CG2-CG1 4.14Å; T66-V83 HydrophobicContact CG2-CG2 4.14Å
67	T	98.3	Very high	96.3	Very high	58 Å²	58	52 Å²	52	36%	0.356	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.7	-179	57.4	0	0	0	0	111	A43 R51 A55 V65	A43-T67 HydrophobicContact CB-CG2 4.35Å; A43-T67 CarbonylContact O-C 3.58Å; A43-T67 VanDerWaalsContact O-CA 3.3Å; A43-T67 WeakPolarHBondContact O-CA 3.36Å; R51-T67 HydrophobicContact CG-CG2 4.07Å; A55-T67 HydrophobicContact CB-CG2 3.68Å; V65-T67 HydrophobicContact CG1-CG2 4.12Å
68	V	98.2	Very high	96.4	Very high	8 Å²	8	52.1 Å²	52.1	5%	0.048	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	150.2	178.3	-171.6	0	0	0	0	109.3	L42 A43 V44 D45 R51 R73 A74 L77	L42-V68 HydrophobicContact CD1-CG2 3.58Å; A43-V68 PolarHBondContact O-N 2.63Å; V44-V68 WeakPolarHBondContact CA-O 3.43Å; D45-V68 PolarHBondContact N-O 3.01Å; D45-V68 VanDerWaalsContact N-O 3.13Å; R51-V68 WeakPolarHBondContact CD-O 3.36Å; V68-R73 HydrophobicContact CG1-CB 3.51Å; V68-R73 HydrophobicContact CG1-CG 3.49Å; V68-R73 VanDerWaalsContact CG1-CG 3.49Å; V68-A74 HydrophobicContact CG1-CB 4.45Å; V68-L77 HydrophobicContact CG1-CD1 4.29Å; V68-L77 HydrophobicContact CG2-CD1 3.52Å
69	D	98.1	Very high	96.3	Very high	85 Å²	85	56 Å²	56	46%	0.455	29%	0.293	S	S	.	.	S	Bend	trans	-97.2	-0.2	-172	61.6	2.9	0	0	0	114.8	D45 D46	D45-D69 WeakPolarHBondContact O-CA 3.32Å; D46-D69 VanDerWaalsContact CA-O 3.28Å; D46-D69 WeakPolarHBondContact CA-O 3.4Å
70	S	98.3	Very high	96.3	Very high	30 Å²	30	55.5 Å²	55.5	21%	0.21	30%	0.3	C	S	.	.			trans	-160.8	152.6	-177.6	57.4	0	0	0	0	112.2	V44 R73 A74	V44-S70 VanDerWaalsContact CG1-C 3.49Å; V44-S70 WeakPolarHBondContact CG1-O 3.29Å; S70-R73 PolarHBondContact O-N 3.4Å; S70-R73 VanDerWaalsContact OG-CB 3.24Å; S70-R73 WeakPolarHBondContact OG-CB 3.43Å; S70-R73 PolarHBondContact OG-N 3.21Å; S70-A74 PolarHBondContact O-N 2.9Å
71	A	98.3	Very high	96.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-40.6	174.9	0	0	0	0	0	112.9	R73 A74 L75 M95 M98 L103	A71-R73 VanDerWaalsContact C-N 3.35Å; A71-R73 PolarHBondContact O-N 2.99Å; A71-A74 WeakPolarHBondContact O-CB 3.3Å; A71-A74 PolarHBondContact O-N 2.9Å; A71-L75 PolarHBondContact O-N 3.09Å; A71-M95 HydrophobicContact CB-CE 3.61Å; A71-M98 HydrophobicContact CB-CB 3.88Å; A71-M98 HydrophobicContact CB-CG 3.7Å; A71-M98 HydrophobicContact CB-SD 3.61Å; A71-L103 HydrophobicContact CB-CB 3.84Å; A71-L103 HydrophobicContact CB-CD1 4.38Å; A71-L103 HydrophobicContact CB-CD2 4.12Å; A71-L103 HydrophobicContact CB-CG 4.34Å
72	T	98.1	Very high	96.4	Very high	65 Å²	65	57.2 Å²	57.2	40%	0.399	31%	0.311	S	S	.	.	H	α-helix	trans	-57.5	-48.3	176.9	-53.9	0	0	0	0	111.2	A74 L75 E76	T72-A74 VanDerWaalsContact C-N 3.32Å; T72-A74 PolarHBondContact O-N 2.87Å; T72-L75 PolarHBondContact O-N 2.86Å; T72-E76 WeakPolarHBondContact O-CG 3.44Å; T72-E76 PolarHBondContact O-N 3.21Å
73	R	97.9	Very high	96.4	Very high	107 Å²	107	50.2 Å²	50.2	40%	0.404	28%	0.282	S	S	.	.	H	α-helix	trans	-67.5	-34.7	179.6	-173.2	60.2	176.4	167.6	2	112	V68 S70 A71 E76 L77	V68-R73 HydrophobicContact CG1-CB 3.51Å; V68-R73 HydrophobicContact CG1-CG 3.49Å; V68-R73 VanDerWaalsContact CG1-CG 3.49Å; S70-R73 PolarHBondContact O-N 3.4Å; S70-R73 VanDerWaalsContact OG-CB 3.24Å; S70-R73 WeakPolarHBondContact OG-CB 3.43Å; S70-R73 PolarHBondContact OG-N 3.21Å; A71-R73 VanDerWaalsContact C-N 3.35Å; A71-R73 PolarHBondContact O-N 2.99Å; R73-E76 VanDerWaalsContact CD-OE2 3.3Å; R73-E76 WeakPolarHBondContact CD-OE2 3.16Å; R73-E76 IonicContact CZ-OE2 3.78Å; R73-E76 IonicContact NE-OE2 3.99Å; R73-E76 IonicContact NH1-OE2 2.78Å; R73-E76 PolarHBondContact NH1-OE2 2.87Å; R73-E76 PolarHBondContact O-N 3.43Å; R73-L77 HydrophobicContact CG-CD1 4.23Å; R73-L77 HydrophobicContact CG-CG 4.47Å; R73-L77 WeakPolarHBondContact O-CB 3.47Å; R73-L77 VanDerWaalsContact O-CG 3.24Å; R73-L77 WeakPolarHBondContact O-CG 3.45Å; R73-L77 PolarHBondContact O-N 3.1Å
74	A	98.2	Very high	96.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-45.9	174.1	0	0	0	0	0	111.5	L42 V44 V68 S70 A71 T72 L77 L78 L103	L42-A74 HydrophobicContact CD2-CB 4.12Å; V44-A74 HydrophobicContact CG1-CB 4.08Å; V44-A74 HydrophobicContact CG2-CB 3.68Å; V68-A74 HydrophobicContact CG1-CB 4.45Å; S70-A74 PolarHBondContact O-N 2.9Å; A71-A74 WeakPolarHBondContact O-CB 3.3Å; A71-A74 PolarHBondContact O-N 2.9Å; T72-A74 VanDerWaalsContact C-N 3.32Å; T72-A74 PolarHBondContact O-N 2.87Å; A74-L77 PolarHBondContact O-N 2.96Å; A74-L78 WeakPolarHBondContact O-CB 3.25Å; A74-L78 VanDerWaalsContact O-CG 3.25Å; A74-L78 WeakPolarHBondContact O-CG 3.47Å; A74-L78 PolarHBondContact O-N 3.49Å; A74-L103 HydrophobicContact CB-CD1 4.47Å; A74-L103 HydrophobicContact CB-CD2 4.4Å
75	L	97.6	Very high	96	Very high	29 Å²	29	53.6 Å²	53.6	15%	0.152	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-42.9	175.9	-72.9	173.9	0	0	0	112.5	A71 T72 L77 L78 A79 M98 L103 H106 V107	A71-L75 PolarHBondContact O-N 3.09Å; T72-L75 PolarHBondContact O-N 2.86Å; L75-L77 PolarHBondContact O-N 3.44Å; L75-L78 PolarHBondContact O-N 3.21Å; L75-A79 WeakPolarHBondContact O-CB 3.38Å; L75-A79 PolarHBondContact O-N 2.84Å; L75-M98 HydrophobicContact CD1-CE 3.98Å; L75-M98 HydrophobicContact CD1-SD 3.72Å; L75-L103 HydrophobicContact CD1-CD1 4.17Å; L75-L103 HydrophobicContact CD2-CD1 3.62Å; L75-L103 HydrophobicContact CG-CD1 3.54Å; L75-H106 HydrophobicContact CD1-CB 3.81Å; L75-H106 HydrophobicContact CD2-CB 3.81Å; L75-H106 HydrophobicContact CG-CB 4.47Å; L75-V107 HydrophobicContact CD2-CG2 4.42Å
76	E	97.1	Very high	96	Very high	84 Å²	84	53.6 Å²	53.6	39%	0.393	31%	0.312	S	S	.	.	H	α-helix	trans	-58.1	-47.9	175.7	-73.9	174.2	-175.8	0	0	111.8	T72 R73 L78 A79 L80	T72-E76 WeakPolarHBondContact O-CG 3.44Å; T72-E76 PolarHBondContact O-N 3.21Å; R73-E76 VanDerWaalsContact CD-OE2 3.3Å; R73-E76 WeakPolarHBondContact CD-OE2 3.16Å; R73-E76 IonicContact CZ-OE2 3.78Å; R73-E76 IonicContact NE-OE2 3.99Å; R73-E76 IonicContact NH1-OE2 2.78Å; R73-E76 PolarHBondContact NH1-OE2 2.87Å; R73-E76 PolarHBondContact O-N 3.43Å; E76-L78 PolarHBondContact O-N 3.06Å; E76-A79 PolarHBondContact O-N 3.03Å; E76-L80 VanDerWaalsContact O-CB 3.3Å; E76-L80 WeakPolarHBondContact O-CB 3.3Å; E76-L80 VanDerWaalsContact O-CG 3.25Å; E76-L80 WeakPolarHBondContact O-CG 3.24Å; E76-L80 PolarHBondContact O-N 3.48Å
77	L	97	Very high	95.8	Very high	22 Å²	22	53.5 Å²	53.5	12%	0.115	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-40.4	-179.6	-73.7	174.8	0	0	0	112.3	V68 R73 A74 L75 G81 L82 V83	V68-L77 HydrophobicContact CG1-CD1 4.29Å; V68-L77 HydrophobicContact CG2-CD1 3.52Å; R73-L77 HydrophobicContact CG-CD1 4.23Å; R73-L77 HydrophobicContact CG-CG 4.47Å; R73-L77 WeakPolarHBondContact O-CB 3.47Å; R73-L77 VanDerWaalsContact O-CG 3.24Å; R73-L77 WeakPolarHBondContact O-CG 3.45Å; R73-L77 PolarHBondContact O-N 3.1Å; A74-L77 PolarHBondContact O-N 2.96Å; L75-L77 PolarHBondContact O-N 3.44Å; L77-G81 PolarHBondContact O-N 3.21Å; L77-L82 HydrophobicContact CD2-CB 3.82Å; L77-L82 HydrophobicContact CD2-CD1 3.9Å; L77-L82 PolarHBondContact O-N 2.98Å; L77-V83 HydrophobicContact CB-CG2 3.79Å; L77-V83 HydrophobicContact CD1-CG2 4.09Å; L77-V83 HydrophobicContact CD2-CG2 4.28Å; L77-V83 HydrophobicContact CG-CG2 4.27Å
78	L	96.5	Very high	95.7	Very high	18 Å²	18	50.8 Å²	50.8	9%	0.094	29%	0.293	C	S	.	.	H	α-helix	trans	-67.6	-46.1	176	-71.3	167.6	0	0	0	111.6	L42 A74 L75 E76 L80 G81 V86 I89 L113 I116	L42-L78 HydrophobicContact CD2-CD1 4.02Å; L42-L78 HydrophobicContact CD2-CD2 4.14Å; L42-L78 HydrophobicContact CD2-CG 4.02Å; A74-L78 WeakPolarHBondContact O-CB 3.25Å; A74-L78 VanDerWaalsContact O-CG 3.25Å; A74-L78 WeakPolarHBondContact O-CG 3.47Å; A74-L78 PolarHBondContact O-N 3.49Å; L75-L78 PolarHBondContact O-N 3.21Å; E76-L78 PolarHBondContact O-N 3.06Å; L78-L80 PolarHBondContact O-N 3.44Å; L78-G81 PolarHBondContact O-N 3.41Å; L78-V86 HydrophobicContact CD2-CB 4.34Å; L78-V86 HydrophobicContact CD2-CG2 4.08Å; L78-I89 HydrophobicContact CD1-CD1 3.71Å; L78-L113 HydrophobicContact CB-CD1 4.12Å; L78-L113 HydrophobicContact CB-CD2 4.04Å; L78-L113 HydrophobicContact CD1-CD1 4.32Å; L78-L113 HydrophobicContact CD2-CD2 4.44Å; L78-I116 HydrophobicContact CD2-CD1 4.4Å
79	A	93.6	Very high	95.7	Very high	84 Å²	84	50.4 Å²	50.4	69%	0.694	29%	0.291	S	S	*	.	H	α-helix	trans	-67.1	-36.5	-178.4	0	0	0	0	0	112.7	L75 E76 G81	L75-A79 WeakPolarHBondContact O-CB 3.38Å; L75-A79 PolarHBondContact O-N 2.84Å; E76-A79 PolarHBondContact O-N 3.03Å; A79-G81 VanDerWaalsContact C-N 3.28Å
80	L	94.6	Very high	95.7	Very high	120 Å²	120	46.4 Å²	46.4	63%	0.628	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-2.5	177.3	-64.5	175	0	0	0	113.3	E76 L78 L82	E76-L80 VanDerWaalsContact O-CB 3.3Å; E76-L80 WeakPolarHBondContact O-CB 3.3Å; E76-L80 VanDerWaalsContact O-CG 3.25Å; E76-L80 WeakPolarHBondContact O-CG 3.24Å; E76-L80 PolarHBondContact O-N 3.48Å; L78-L80 PolarHBondContact O-N 3.44Å; L80-L82 HydrophobicContact CB-CD1 3.92Å; L80-L82 HydrophobicContact CB-CG 3.76Å; L80-L82 HydrophobicContact CD1-CD1 3.93Å; L80-L82 PolarHBondContact O-N 3.28Å
81	G	92.9	Very high	95.7	Very high	51 Å²	51	45 Å²	45	53%	0.526	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.7	21.3	-178.1	0	0	0	0	0	113.9	L77 L78 A79 V83	L77-G81 PolarHBondContact O-N 3.21Å; L78-G81 PolarHBondContact O-N 3.41Å; A79-G81 VanDerWaalsContact C-N 3.28Å; G81-V83 PolarHBondContact O-N 3.38Å
82	L	94.4	Very high	95.7	Very high	104 Å²	104	45.4 Å²	45.4	55%	0.545	26%	0.262	S	S	.	.	S	Bend	trans	-76.5	-11.2	-177.8	-64.8	176.5	0	0	0	112.8	L77 L80	L77-L82 HydrophobicContact CD2-CB 3.82Å; L77-L82 HydrophobicContact CD2-CD1 3.9Å; L77-L82 PolarHBondContact O-N 2.98Å; L80-L82 HydrophobicContact CB-CD1 3.92Å; L80-L82 HydrophobicContact CB-CG 3.76Å; L80-L82 HydrophobicContact CD1-CD1 3.93Å; L80-L82 PolarHBondContact O-N 3.28Å
83	V	92	Very high	95.7	Very high	15 Å²	15	44 Å²	44	9%	0.091	25%	0.249	C	C	.	.	S	Bend	trans	-129.1	83.5	177.2	-173.8	0	0	0	0	107.3	H40 L42 T66 L77 G81 V86	H40-V83 WeakPolarHBondContact CE1-CG1 3.44Å; L42-V83 HydrophobicContact CD1-CG1 4.41Å; T66-V83 HydrophobicContact CG2-CG1 4.14Å; T66-V83 HydrophobicContact CG2-CG2 4.14Å; L77-V83 HydrophobicContact CB-CG2 3.79Å; L77-V83 HydrophobicContact CD1-CG2 4.09Å; L77-V83 HydrophobicContact CD2-CG2 4.28Å; L77-V83 HydrophobicContact CG-CG2 4.27Å; G81-V83 PolarHBondContact O-N 3.38Å; V83-V86 HydrophobicContact CB-CG2 4.27Å; V83-V86 HydrophobicContact CG1-CG2 3.51Å; V83-V86 WeakPolarHBondContact O-CG2 3.22Å
84	P	89.2	Confident	95.7	Very high	70 Å²	70	45.2 Å²	45.2	46%	0.455	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	158.3	-177.2	30.4	-35.6	0	0	0	111.8	H40 R64 V86	H40-P84 PolarHBondContact ND1-O 3.4Å; R64-P84 PolarHBondContact NH2-O 2.78Å; R64-P84 VanDerWaalsContact NH2-O 3.15Å; P84-V86 VanDerWaalsContact C-N 3.29Å; P84-V86 PolarHBondContact O-N 3.01Å
85	D	91.7	Very high	95.7	Very high	115 Å²	115	45.6 Å²	45.6	62%	0.615	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	30.3	170.5	-41.3	-51.8	0	0	0	115	H40 N87	H40-D85 VanDerWaalsContact CB-O 3.3Å; H40-D85 WeakPolarHBondContact CB-O 3.46Å; D85-N87 PolarHBondContact O-N 3.42Å; D85-N87 VanDerWaalsContact O-N 3.11Å; D85-N87 PolarHBondContact O-OD1 3.48Å
86	V	95.4	Very high	95.6	Very high	15 Å²	15	49 Å²	49	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	113	175.2	177.9	0	0	0	0	109.7	L42 L78 V83 P84 M88 I89 I116	L42-V86 HydrophobicContact CB-CG1 3.86Å; L42-V86 HydrophobicContact CB-CG2 4.35Å; L78-V86 HydrophobicContact CD2-CB 4.34Å; L78-V86 HydrophobicContact CD2-CG2 4.08Å; V83-V86 HydrophobicContact CB-CG2 4.27Å; V83-V86 HydrophobicContact CG1-CG2 3.51Å; V83-V86 WeakPolarHBondContact O-CG2 3.22Å; P84-V86 VanDerWaalsContact C-N 3.29Å; P84-V86 PolarHBondContact O-N 3.01Å; V86-M88 VanDerWaalsContact CG1-O 3.3Å; V86-M88 WeakPolarHBondContact CG1-O 3.27Å; V86-I89 HydrophobicContact CG1-CG1 4.09Å; V86-I116 HydrophobicContact CB-CD1 4.44Å; V86-I116 HydrophobicContact CG1-CG2 4.08Å
87	N	95.1	Very high	95.6	Very high	43 Å²	43	49 Å²	49	23%	0.23	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-14.8	179	-50.5	108.5	0	0	0	112.8	K39 H40 D85 P117 I158	K39-N87 WeakPolarHBondContact CA-OD1 3.33Å; K39-N87 HydrophobicContact CB-CB 4.45Å; K39-N87 HydrophobicContact CD-CB 4.24Å; H40-N87 PolarHBondContact N-OD1 3.26Å; H40-N87 PolarHBondContact O-N 2.99Å; D85-N87 PolarHBondContact O-N 3.42Å; D85-N87 VanDerWaalsContact O-N 3.11Å; D85-N87 PolarHBondContact O-OD1 3.48Å; N87-P117 WeakPolarHBondContact O-CD 3.43Å; N87-P117 WeakPolarHBondContact O-CG 3.3Å; N87-I158 HydrophobicContact CB-CG2 3.67Å
88	M	96.5	Very high	95.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	144.6	175.8	177.4	178.1	-81.4	0	0	111	H40 V41 L42 V86 P117 V119 L154 I158	H40-M88 PolarHBondContact O-N 2.97Å; V41-M88 WeakPolarHBondContact CA-O 3.44Å; V41-M88 HydrophobicContact CG1-CB 4.5Å; V41-M88 HydrophobicContact CG2-CB 4.3Å; L42-M88 PolarHBondContact N-O 3Å; V86-M88 VanDerWaalsContact CG1-O 3.3Å; V86-M88 WeakPolarHBondContact CG1-O 3.27Å; M88-P117 WeakPolarHBondContact CA-O 3.38Å; M88-P117 HydrophobicContact CB-CG 4.11Å; M88-P117 HydrophobicContact CE-CB 4.46Å; M88-P117 HydrophobicContact CE-CG 4.28Å; M88-P117 HydrophobicContact CG-CG 4.37Å; M88-V119 HydrophobicContact CE-CG2 3.94Å; M88-V119 HydrophobicContact CG-CG2 4.45Å; M88-V119 HydrophobicContact SD-CG2 3.9Å; M88-L154 HydrophobicContact CE-CB 4.13Å; M88-L154 HydrophobicContact SD-CB 4.44Å; M88-L154 HydrophobicContact SD-CD1 4.11Å; M88-I158 HydrophobicContact CB-CD1 4.24Å; M88-I158 HydrophobicContact CB-CG1 4.22Å; M88-I158 HydrophobicContact CE-CD1 3.74Å; M88-I158 HydrophobicContact CE-CG1 3.32Å; M88-I158 HydrophobicContact SD-CD1 3.88Å; M88-I158 HydrophobicContact SD-CG1 4.11Å
89	I	97.8	Very high	95.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	132	165.7	-61.3	164.6	0	0	0	107.6	L42 V44 L78 V86 L103 V107 I116 P117 V118 V119	L42-I89 HydrophobicContact CB-CG1 4.25Å; L42-I89 HydrophobicContact CD2-CG1 4.31Å; L42-I89 WeakPolarHBondContact O-CA 3.47Å; V44-I89 HydrophobicContact CG2-CG2 4.29Å; L78-I89 HydrophobicContact CD1-CD1 3.71Å; V86-I89 HydrophobicContact CG1-CG1 4.09Å; I89-L103 HydrophobicContact CG2-CD2 4.34Å; I89-V107 HydrophobicContact CD1-CG1 4.28Å; I89-V107 HydrophobicContact CD1-CG2 3.75Å; I89-I116 HydrophobicContact CD1-CG2 4.08Å; I89-I116 HydrophobicContact CG1-CG2 3.9Å; I89-P117 PolarHBondContact N-O 3.24Å; I89-V118 HydrophobicContact CB-CG2 4.28Å; I89-V118 HydrophobicContact CD1-CG2 4.35Å; I89-V118 HydrophobicContact CG2-CG1 4.46Å; I89-V118 CarbonylContact O-C 3.56Å; I89-V118 WeakPolarHBondContact O-CA 3.44Å; I89-V119 PolarHBondContact O-N 3.12Å
90	I	97.9	Very high	95.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.3	167.6	-170.8	166.2	0	0	0	108.2	V41 L42 A43 V44 I54 L58 V119 M121 L142 L154	V41-I90 HydrophobicContact CG1-CB 4.39Å; V41-I90 HydrophobicContact CG1-CG2 3.68Å; L42-I90 PolarHBondContact O-N 3.44Å; A43-I90 CarbonylContact C-O 3.58Å; A43-I90 WeakPolarHBondContact CA-O 3.38Å; A43-I90 HydrophobicContact CB-CG2 3.85Å; V44-I90 PolarHBondContact N-O 3.43Å; I54-I90 HydrophobicContact CD1-CD1 3.87Å; I54-I90 HydrophobicContact CG1-CD1 4.04Å; I54-I90 HydrophobicContact CG1-CG2 4.34Å; L58-I90 HydrophobicContact CD1-CG2 4.01Å; I90-V119 CarbonylContact C-O 3.54Å; I90-V119 VanDerWaalsContact CA-O 3.31Å; I90-V119 WeakPolarHBondContact CA-O 3.49Å; I90-V119 HydrophobicContact CB-CB 4.41Å; I90-V119 HydrophobicContact CD1-CB 4.46Å; I90-V119 HydrophobicContact CD1-CG1 4.13Å; I90-V119 HydrophobicContact CG1-CB 4.09Å; I90-V119 HydrophobicContact CG1-CG1 4.11Å; I90-M121 HydrophobicContact CD1-CG 3.99Å; I90-M121 HydrophobicContact CD1-SD 3.71Å; I90-M121 HydrophobicContact CG1-CE 4.01Å; I90-M121 HydrophobicContact CG1-CG 3.75Å; I90-M121 HydrophobicContact CG1-SD 3.68Å; I90-L142 HydrophobicContact CD1-CD1 4.34Å; I90-L154 HydrophobicContact CD1-CD1 4.46Å
91	T	98.6	Very high	96.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.9	-170.3	-177.2	0	0	0	0	111.9	V44 M95 L103 V118 V119 I120 M121	V44-T91 CarbonylContact O-C 3.39Å; V44-T91 WeakPolarHBondContact O-CA 3.49Å; T91-M95 VanDerWaalsContact OG1-CE 3.22Å; T91-M95 WeakPolarHBondContact OG1-CE 3.22Å; T91-L103 HydrophobicContact CG2-CD2 4.16Å; T91-V118 HydrophobicContact CG2-CG1 4.2Å; T91-V119 PolarHBondContact N-O 3.13Å; T91-I120 HydrophobicContact CG2-CD1 3.4Å; T91-I120 CarbonylContact O-C 3.57Å; T91-I120 WeakPolarHBondContact O-CA 3.36Å; T91-M121 PolarHBondContact O-N 2.91Å
92	D	98.3	Very high	96.4	Very high	11 Å²	11	43.8 Å²	43.8	6%	0.059	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	147.3	163.5	-162.2	12.6	0	0	0	110.5	V44 D45 M95 G100 M121 K144	V44-D92 PolarHBondContact O-N 3.38Å; D45-D92 HydrophobicContact CB-CB 4.3Å; D92-M95 HydrophobicContact CB-CG 4.16Å; D92-G100 WeakPolarHBondContact O-CA 3.4Å; D92-G100 PolarHBondContact O-N 2.81Å; D92-M121 CarbonylContact C-O 3.53Å; D92-M121 VanDerWaalsContact OD1-O 3.05Å; D92-K144 VanDerWaalsContact OD1-CE 3.31Å; D92-K144 WeakPolarHBondContact OD1-CE 3.45Å; D92-K144 IonicContact OD1-NZ 3.74Å; D92-K144 PolarHBondContact OD1-NZ 2.81Å; D92-K144 IonicContact OD2-NZ 3.13Å; D92-K144 PolarHBondContact OD2-NZ 3.21Å
93	Y	98.4	Very high	96.6	Very high	35 Å²	35	38.9 Å²	38.9	14%	0.137	22%	0.22	C	C	.	.	S	Bend	trans	-73.4	-47.2	176.7	178.9	-86.2	0	0	0	110.6	T99 G100 I120 M121 R129 F141	Y93-T99 CarbonylContact O-C 3.46Å; Y93-T99 WeakPolarHBondContact O-CA 3.17Å; Y93-T99 VanDerWaalsContact O-CB 3.31Å; Y93-T99 WeakPolarHBondContact O-CB 3.07Å; Y93-G100 PolarHBondContact O-N 3.3Å; Y93-I120 HydrophobicContact CD2-CG2 4.05Å; Y93-I120 HydrophobicContact CG-CG2 4.45Å; Y93-M121 WeakPolarHBondContact CB-O 3.31Å; Y93-M121 PolarHBondContact N-O 2.93Å; Y93-R129 HydrophobicContact CD2-CG 3.85Å; Y93-R129 HydrophobicContact CE1-CG 4.3Å; Y93-R129 HydrophobicContact CE2-CG 3.29Å; Y93-R129 VanDerWaalsContact CZ-NE 3.26Å; Y93-F141 HydrophobicContact CD2-CE2 4.49Å
94	W	96.8	Very high	96.9	Very high	132 Å²	132	38.2 Å²	38.2	50%	0.5	22%	0.216	S	C	.	.			trans	-98.7	110.2	-177.5	-84	125.2	0	0	0	109.9	T99	W94-T99 HydrophobicContact CE3-CG2 3.95Å; W94-T99 HydrophobicContact CZ3-CG2 3.89Å
95	M	97.5	Very high	97.3	Very high	9 Å²	9	38.2 Å²	38.2	4%	0.044	21%	0.209	C	C	.	.			trans	-135	144.8	169.1	-67.5	-179.9	-71.3	0	0	108.8	V44 D46 A71 T91 D92 M98	V44-M95 HydrophobicContact CG1-CE 3.93Å; V44-M95 HydrophobicContact CG1-SD 3.74Å; D46-M95 HydrophobicContact CB-CB 4.43Å; D46-M95 HydrophobicContact CB-CG 4.15Å; A71-M95 HydrophobicContact CB-CE 3.61Å; T91-M95 VanDerWaalsContact OG1-CE 3.22Å; T91-M95 WeakPolarHBondContact OG1-CE 3.22Å; D92-M95 HydrophobicContact CB-CG 4.16Å; M95-M98 WeakPolarHBondContact CB-O 3.35Å
96	P	96.2	Very high	97.6	Very high	100 Å²	100	36.9 Å²	36.9	65%	0.649	20%	0.199	S	C	*	.	S	Bend	trans	-59.5	141	175.2	-24.4	33.9	0	0	0	112.6	D46 M98	D46-P96 VanDerWaalsContact OD2-CD 3.26Å; D46-P96 WeakPolarHBondContact OD2-CD 3.48Å; P96-M98 PolarHBondContact O-N 2.91Å
97	G	97	Very high	97.7	Very high	85 Å²	85	36.2 Å²	36.2	88%	0.876	19%	0.194	S	C	*	.	S	Bend	trans	82.4	-50.4	177.1	0	0	0	0	0	114.2
98	M	97.8	Very high	97.8	Very high	31 Å²	31	36.5 Å²	36.5	15%	0.153	19%	0.193	C	C	.	.	S	Bend	trans	-143.9	124.7	176.5	-179.3	-174.4	-61.7	0	0	110.4	A71 L75 M95 P96 E102	A71-M98 HydrophobicContact CB-CB 3.88Å; A71-M98 HydrophobicContact CB-CG 3.7Å; A71-M98 HydrophobicContact CB-SD 3.61Å; L75-M98 HydrophobicContact CD1-CE 3.98Å; L75-M98 HydrophobicContact CD1-SD 3.72Å; M95-M98 WeakPolarHBondContact CB-O 3.35Å; P96-M98 PolarHBondContact O-N 2.91Å; M98-E102 HydrophobicContact CG-CB 3.6Å; M98-E102 HydrophobicContact SD-CB 4.41Å
99	T	98	Very high	97.9	Very high	19 Å²	19	42.8 Å²	42.8	12%	0.117	22%	0.223	C	C	.	.			trans	-71.4	157.9	178.2	60.9	0	0	0	0	112	Y93 W94 Y101 E102 L103	Y93-T99 CarbonylContact O-C 3.46Å; Y93-T99 WeakPolarHBondContact O-CA 3.17Å; Y93-T99 VanDerWaalsContact O-CB 3.31Å; Y93-T99 WeakPolarHBondContact O-CB 3.07Å; W94-T99 HydrophobicContact CE3-CG2 3.95Å; W94-T99 HydrophobicContact CZ3-CG2 3.89Å; T99-Y101 PolarHBondContact O-N 3.46Å; T99-E102 WeakPolarHBondContact CB-OE2 3.32Å; T99-E102 PolarHBondContact N-OE2 2.93Å; T99-E102 PolarHBondContact O-N 2.82Å; T99-E102 VanDerWaalsContact O-N 3.12Å; T99-E102 VanDerWaalsContact OG1-CG 3.31Å; T99-E102 WeakPolarHBondContact OG1-CG 3.4Å; T99-E102 PolarHBondContact OG1-N 3.02Å; T99-E102 VanDerWaalsContact OG1-N 3.1Å; T99-E102 PolarHBondContact OG1-OE2 2.89Å; T99-L103 PolarHBondContact O-N 3.2Å
100	G	98.2	Very high	97.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-26.8	170	0	0	0	0	0	113.3	D92 Y93 L104	D92-G100 WeakPolarHBondContact O-CA 3.4Å; D92-G100 PolarHBondContact O-N 2.81Å; Y93-G100 PolarHBondContact O-N 3.3Å; G100-L104 WeakPolarHBondContact O-CB 3.39Å; G100-L104 PolarHBondContact O-N 3.39Å
101	Y	98.4	Very high	97.6	Very high	53 Å²	53	49.3 Å²	49.3	21%	0.208	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-43.9	171.9	178	-105.8	0	0	0	111.6	T99 L103 L104 K105 R132 E136	T99-Y101 PolarHBondContact O-N 3.46Å; Y101-L103 VanDerWaalsContact C-N 3.34Å; Y101-L103 PolarHBondContact O-N 3.17Å; Y101-L104 HydrophobicContact CD2-CD2 4.37Å; Y101-L104 WeakPolarHBondContact O-CB 3.07Å; Y101-L104 PolarHBondContact O-N 3.32Å; Y101-K105 HydrophobicContact CE1-CD 3.83Å; Y101-K105 HydrophobicContact CE1-CG 4.26Å; Y101-K105 WeakPolarHBondContact O-CG 3.31Å; Y101-K105 PolarHBondContact O-N 2.9Å; Y101-R132 HydrophobicContact CE2-CB 4.48Å; Y101-E136 HydrophobicContact CE2-CB 3.87Å; Y101-E136 HydrophobicContact CE2-CG 3.97Å; Y101-E136 PolarHBondContact OH-OE2 2.95Å
102	E	98.5	Very high	97.4	Very high	82 Å²	82	53.1 Å²	53.1	38%	0.383	30%	0.3	S	S	.	.	H	α-helix	trans	-63.6	-40.3	173.2	-72.5	163.9	126.8	0	0	111.5	M98 T99 L104 K105 H106	M98-E102 HydrophobicContact CG-CB 3.6Å; M98-E102 HydrophobicContact SD-CB 4.41Å; T99-E102 WeakPolarHBondContact CB-OE2 3.32Å; T99-E102 PolarHBondContact N-OE2 2.93Å; T99-E102 PolarHBondContact O-N 2.82Å; T99-E102 VanDerWaalsContact O-N 3.12Å; T99-E102 VanDerWaalsContact OG1-CG 3.31Å; T99-E102 WeakPolarHBondContact OG1-CG 3.4Å; T99-E102 PolarHBondContact OG1-N 3.02Å; T99-E102 VanDerWaalsContact OG1-N 3.1Å; T99-E102 PolarHBondContact OG1-OE2 2.89Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.29Å; E102-K105 PolarHBondContact O-N 2.71Å; E102-H106 PolarHBondContact O-N 3.36Å; E102-H106 PolarHBondContact O-ND1 2.84Å
103	L	98.6	Very high	97.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-56.8	-47.1	172.4	177.6	58.7	0	0	0	111.6	V44 A71 A74 L75 I89 T91 T99 Y101 K105 H106 V107	V44-L103 HydrophobicContact CB-CD2 4.49Å; V44-L103 HydrophobicContact CG1-CD2 4.42Å; V44-L103 HydrophobicContact CG2-CD2 4.3Å; A71-L103 HydrophobicContact CB-CB 3.84Å; A71-L103 HydrophobicContact CB-CD1 4.38Å; A71-L103 HydrophobicContact CB-CD2 4.12Å; A71-L103 HydrophobicContact CB-CG 4.34Å; A74-L103 HydrophobicContact CB-CD1 4.47Å; A74-L103 HydrophobicContact CB-CD2 4.4Å; L75-L103 HydrophobicContact CD1-CD1 4.17Å; L75-L103 HydrophobicContact CD2-CD1 3.62Å; L75-L103 HydrophobicContact CG-CD1 3.54Å; I89-L103 HydrophobicContact CG2-CD2 4.34Å; T91-L103 HydrophobicContact CG2-CD2 4.16Å; T99-L103 PolarHBondContact O-N 3.2Å; Y101-L103 VanDerWaalsContact C-N 3.34Å; Y101-L103 PolarHBondContact O-N 3.17Å; L103-K105 VanDerWaalsContact C-N 3.35Å; L103-K105 PolarHBondContact O-N 2.81Å; L103-H106 PolarHBondContact O-N 2.94Å; L103-V107 HydrophobicContact CD1-CG2 4.2Å; L103-V107 WeakPolarHBondContact O-CG2 3.22Å; L103-V107 PolarHBondContact O-N 2.82Å
104	L	98.6	Very high	97.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-55.1	-49.2	175.5	169.6	68.5	0	0	0	111.1	G100 Y101 E102 H106 V107 K108 V118 I120 C133 E136 A138	G100-L104 WeakPolarHBondContact O-CB 3.39Å; G100-L104 PolarHBondContact O-N 3.39Å; Y101-L104 HydrophobicContact CD2-CD2 4.37Å; Y101-L104 WeakPolarHBondContact O-CB 3.07Å; Y101-L104 PolarHBondContact O-N 3.32Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.29Å; L104-H106 PolarHBondContact O-N 3.2Å; L104-V107 PolarHBondContact O-N 3.15Å; L104-K108 HydrophobicContact CD1-CD 4.4Å; L104-K108 HydrophobicContact CD1-CG 3.81Å; L104-K108 HydrophobicContact CG-CG 4.43Å; L104-K108 WeakPolarHBondContact O-CG 3.34Å; L104-K108 PolarHBondContact O-N 3.32Å; L104-V118 HydrophobicContact CB-CG1 4.31Å; L104-V118 HydrophobicContact CD1-CB 3.66Å; L104-V118 HydrophobicContact CD1-CG1 3.85Å; L104-V118 HydrophobicContact CD1-CG2 4.02Å; L104-I120 HydrophobicContact CB-CD1 4.34Å; L104-C133 HydrophobicContact CD2-CB 4.4Å; L104-C133 WeakPolarHBondContact CD2-O 3.2Å; L104-E136 HydrophobicContact CD2-CB 3.8Å; L104-E136 HydrophobicContact CD2-CG 3.97Å; L104-E136 HydrophobicContact CG-CB 4.38Å; L104-E136 HydrophobicContact CG-CG 4.06Å; L104-A138 HydrophobicContact CD1-CB 4.28Å; L104-A138 HydrophobicContact CD2-CB 3.85Å
105	K	98.3	Very high	97	Very high	71 Å²	71	57.6 Å²	57.6	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-55.8	-50.9	177.3	-65.8	-160.8	75.7	175.3	0	111.8	Y101 E102 L103 V107 K108 E109 E136	Y101-K105 HydrophobicContact CE1-CD 3.83Å; Y101-K105 HydrophobicContact CE1-CG 4.26Å; Y101-K105 WeakPolarHBondContact O-CG 3.31Å; Y101-K105 PolarHBondContact O-N 2.9Å; E102-K105 PolarHBondContact O-N 2.71Å; L103-K105 VanDerWaalsContact C-N 3.35Å; L103-K105 PolarHBondContact O-N 2.81Å; K105-V107 VanDerWaalsContact C-N 3.3Å; K105-V107 PolarHBondContact O-N 2.93Å; K105-K108 PolarHBondContact O-N 3.21Å; K105-K108 VanDerWaalsContact O-N 3.15Å; K105-E109 WeakPolarHBondContact O-CB 3.28Å; K105-E109 VanDerWaalsContact O-CG 3.31Å; K105-E109 WeakPolarHBondContact O-CG 3.3Å; K105-E109 PolarHBondContact O-N 2.94Å; K105-E136 WeakPolarHBondContact CE-OE1 3.26Å; K105-E136 HydrophobicContact CG-CG 3.78Å
106	H	98	Very high	96.9	Very high	87 Å²	87	58.3 Å²	58.3	40%	0.403	34%	0.341	S	S	.	.	H	α-helix	trans	-59.2	-40.5	179.4	-72.8	88.7	0	0	0	112.4	L75 E102 L103 L104 S110	L75-H106 HydrophobicContact CD1-CB 3.81Å; L75-H106 HydrophobicContact CD2-CB 3.81Å; L75-H106 HydrophobicContact CG-CB 4.47Å; E102-H106 PolarHBondContact O-N 3.36Å; E102-H106 PolarHBondContact O-ND1 2.84Å; L103-H106 PolarHBondContact O-N 2.94Å; L104-H106 PolarHBondContact O-N 3.2Å; H106-S110 VanDerWaalsContact O-CB 3.3Å; H106-S110 WeakPolarHBondContact O-CB 3.21Å; H106-S110 PolarHBondContact O-N 3.13Å; H106-S110 VanDerWaalsContact O-N 3.15Å
107	V	97.6	Very high	97	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-44.4	176.8	170.4	0	0	0	0	110.9	L75 I89 L103 L104 K105 S110 L113 R114 V118	L75-V107 HydrophobicContact CD2-CG2 4.42Å; I89-V107 HydrophobicContact CD1-CG1 4.28Å; I89-V107 HydrophobicContact CD1-CG2 3.75Å; L103-V107 HydrophobicContact CD1-CG2 4.2Å; L103-V107 WeakPolarHBondContact O-CG2 3.22Å; L103-V107 PolarHBondContact O-N 2.82Å; L104-V107 PolarHBondContact O-N 3.15Å; K105-V107 VanDerWaalsContact C-N 3.3Å; K105-V107 PolarHBondContact O-N 2.93Å; V107-S110 PolarHBondContact O-N 3.48Å; V107-L113 HydrophobicContact CG1-CB 4.02Å; V107-L113 WeakPolarHBondContact CG1-O 3.49Å; V107-L113 CarbonylContact O-C 3.52Å; V107-R114 WeakPolarHBondContact O-CA 3.39Å; V107-R114 PolarHBondContact O-N 3.05Å; V107-V118 HydrophobicContact CB-CG2 4.18Å; V107-V118 HydrophobicContact CG1-CG2 3.68Å
108	K	97.5	Very high	97	Very high	49 Å²	49	50.4 Å²	50.4	21%	0.213	27%	0.274	C	S	.	.	H	α-helix	trans	-75.9	-30.1	-177.1	-62.2	-47.6	-175	-177.9	0	113.8	L104 K105 R114 I116 G137	L104-K108 HydrophobicContact CD1-CD 4.4Å; L104-K108 HydrophobicContact CD1-CG 3.81Å; L104-K108 HydrophobicContact CG-CG 4.43Å; L104-K108 WeakPolarHBondContact O-CG 3.34Å; L104-K108 PolarHBondContact O-N 3.32Å; K105-K108 PolarHBondContact O-N 3.21Å; K105-K108 VanDerWaalsContact O-N 3.15Å; K108-R114 PolarHBondContact NZ-O 2.97Å; K108-R114 WeakPolarHBondContact O-CB 3.23Å; K108-I116 PolarHBondContact NZ-O 3.41Å; K108-G137 WeakPolarHBondContact CE-O 3.2Å
109	E	97.1	Very high	97	Very high	134 Å²	134	48.9 Å²	48.9	63%	0.626	27%	0.267	S	S	*	.	H	α-helix	trans	-75.2	-26	174.1	-70.4	172.9	-177.3	0	0	112.2	K105	K105-E109 WeakPolarHBondContact O-CB 3.28Å; K105-E109 VanDerWaalsContact O-CG 3.31Å; K105-E109 WeakPolarHBondContact O-CG 3.3Å; K105-E109 PolarHBondContact O-N 2.94Å
110	S	96.1	Very high	97	Very high	38 Å²	38	48 Å²	48	27%	0.266	26%	0.261	S	S	.	.			trans	-76.6	122.8	178.1	175.1	0	0	0	0	112.5	H106 V107 A112 L113 R114	H106-S110 VanDerWaalsContact O-CB 3.3Å; H106-S110 WeakPolarHBondContact O-CB 3.21Å; H106-S110 PolarHBondContact O-N 3.13Å; H106-S110 VanDerWaalsContact O-N 3.15Å; V107-S110 PolarHBondContact O-N 3.48Å; S110-A112 PolarHBondContact O-N 2.9Å; S110-A112 PolarHBondContact OG-N 3.26Å; S110-L113 PolarHBondContact O-N 3.17Å; S110-L113 PolarHBondContact OG-N 2.66Å; S110-R114 VanDerWaalsContact O-CB 3.23Å; S110-R114 WeakPolarHBondContact O-CB 3.42Å; S110-R114 WeakPolarHBondContact O-CG 3.28Å; S110-R114 PolarHBondContact O-N 3.43Å
111	S	94.7	Very high	97	Very high	98 Å²	98	48.1 Å²	48.1	69%	0.685	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-30.9	177.5	57.4	0	0	0	0	113.6
112	A	94.2	Very high	97	Very high	81 Å²	81	45.6 Å²	45.6	67%	0.669	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-30.6	179.8	0	0	0	0	0	113.1	S110	S110-A112 PolarHBondContact O-N 2.9Å; S110-A112 PolarHBondContact OG-N 3.26Å
113	L	95.7	Very high	96.8	Very high	23 Å²	23	45.8 Å²	45.8	12%	0.12	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-19.8	-172.4	-53.2	177.6	0	0	0	113.5	L78 V107 S110 A115 I116	L78-L113 HydrophobicContact CB-CD1 4.12Å; L78-L113 HydrophobicContact CB-CD2 4.04Å; L78-L113 HydrophobicContact CD1-CD1 4.32Å; L78-L113 HydrophobicContact CD2-CD2 4.44Å; V107-L113 HydrophobicContact CG1-CB 4.02Å; V107-L113 WeakPolarHBondContact CG1-O 3.49Å; V107-L113 CarbonylContact O-C 3.52Å; S110-L113 PolarHBondContact O-N 3.17Å; S110-L113 PolarHBondContact OG-N 2.66Å; L113-A115 PolarHBondContact O-N 3.42Å; L113-I116 HydrophobicContact CD2-CD1 4.11Å; L113-I116 WeakPolarHBondContact O-CB 3.39Å; L113-I116 WeakPolarHBondContact O-CG1 3.39Å; L113-I116 PolarHBondContact O-N 3.15Å
114	R	95.4	Very high	96.7	Very high	157 Å²	157	49.8 Å²	49.8	59%	0.592	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.3	-172.2	66.3	-178.7	-176	-167.3	2	115.2	V107 K108 S110 I116	V107-R114 WeakPolarHBondContact O-CA 3.39Å; V107-R114 PolarHBondContact O-N 3.05Å; K108-R114 PolarHBondContact NZ-O 2.97Å; K108-R114 WeakPolarHBondContact O-CB 3.23Å; S110-R114 VanDerWaalsContact O-CB 3.23Å; S110-R114 WeakPolarHBondContact O-CB 3.42Å; S110-R114 WeakPolarHBondContact O-CG 3.28Å; S110-R114 PolarHBondContact O-N 3.43Å; R114-I116 VanDerWaalsContact C-N 3.29Å
115	A	94.3	Very high	96.5	Very high	92 Å²	92	55 Å²	55	76%	0.76	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-20	178.3	0	0	0	0	0	113.2	L113 P117	L113-A115 PolarHBondContact O-N 3.42Å; A115-P117 WeakPolarHBondContact O-CD 3.29Å
116	I	95.6	Very high	96.5	Very high	24 Å²	24	53.9 Å²	53.9	12%	0.123	31%	0.308	C	S	.	.	S	Bend	trans	-74.4	122.6	179.3	-53.9	173.9	0	0	0	108.3	L78 V86 I89 K108 L113 R114	L78-I116 HydrophobicContact CD2-CD1 4.4Å; V86-I116 HydrophobicContact CB-CD1 4.44Å; V86-I116 HydrophobicContact CG1-CG2 4.08Å; I89-I116 HydrophobicContact CD1-CG2 4.08Å; I89-I116 HydrophobicContact CG1-CG2 3.9Å; K108-I116 PolarHBondContact NZ-O 3.41Å; L113-I116 HydrophobicContact CD2-CD1 4.11Å; L113-I116 WeakPolarHBondContact O-CB 3.39Å; L113-I116 WeakPolarHBondContact O-CG1 3.39Å; L113-I116 PolarHBondContact O-N 3.15Å; R114-I116 VanDerWaalsContact C-N 3.29Å
117	P	96.6	Very high	96.4	Very high	18 Å²	18	54 Å²	54	12%	0.117	32%	0.317	C	S	.	.			trans	-65.7	139.5	173.2	26.5	-32.4	0	0	0	110.1	N87 M88 I89 A115 E139	N87-P117 WeakPolarHBondContact O-CD 3.43Å; N87-P117 WeakPolarHBondContact O-CG 3.3Å; M88-P117 WeakPolarHBondContact CA-O 3.38Å; M88-P117 HydrophobicContact CB-CG 4.11Å; M88-P117 HydrophobicContact CE-CB 4.46Å; M88-P117 HydrophobicContact CE-CG 4.28Å; M88-P117 HydrophobicContact CG-CG 4.37Å; I89-P117 PolarHBondContact N-O 3.24Å; A115-P117 WeakPolarHBondContact O-CD 3.29Å; P117-E139 HydrophobicContact CB-CB 3.88Å; P117-E139 HydrophobicContact CB-CG 3.94Å
118	V	98	Very high	96.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	121.7	-179.3	-178.5	0	0	0	0	108.3	I89 T91 L104 V107 I120 A138 E139	I89-V118 HydrophobicContact CB-CG2 4.28Å; I89-V118 HydrophobicContact CD1-CG2 4.35Å; I89-V118 HydrophobicContact CG2-CG1 4.46Å; I89-V118 CarbonylContact O-C 3.56Å; I89-V118 WeakPolarHBondContact O-CA 3.44Å; T91-V118 HydrophobicContact CG2-CG1 4.2Å; L104-V118 HydrophobicContact CB-CG1 4.31Å; L104-V118 HydrophobicContact CD1-CB 3.66Å; L104-V118 HydrophobicContact CD1-CG1 3.85Å; L104-V118 HydrophobicContact CD1-CG2 4.02Å; V107-V118 HydrophobicContact CB-CG2 4.18Å; V107-V118 HydrophobicContact CG1-CG2 3.68Å; V118-I120 HydrophobicContact CG1-CD1 4Å; V118-A138 CarbonylContact O-C 3.52Å; V118-A138 WeakPolarHBondContact O-CA 3.37Å; V118-E139 PolarHBondContact O-N 3.4Å
119	V	97.8	Very high	96.4	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128	175.2	176.6	0	0	0	0	108.6	M88 I89 I90 T91 E139 D140 L142 L154	M88-V119 HydrophobicContact CE-CG2 3.94Å; M88-V119 HydrophobicContact CG-CG2 4.45Å; M88-V119 HydrophobicContact SD-CG2 3.9Å; I89-V119 PolarHBondContact O-N 3.12Å; I90-V119 CarbonylContact C-O 3.54Å; I90-V119 VanDerWaalsContact CA-O 3.31Å; I90-V119 WeakPolarHBondContact CA-O 3.49Å; I90-V119 HydrophobicContact CB-CB 4.41Å; I90-V119 HydrophobicContact CD1-CB 4.46Å; I90-V119 HydrophobicContact CD1-CG1 4.13Å; I90-V119 HydrophobicContact CG1-CB 4.09Å; I90-V119 HydrophobicContact CG1-CG1 4.11Å; T91-V119 PolarHBondContact N-O 3.13Å; V119-E139 HydrophobicContact CG2-CB 4.33Å; V119-D140 WeakPolarHBondContact CA-O 3.36Å; V119-D140 HydrophobicContact CG1-CB 4.17Å; V119-D140 HydrophobicContact CG2-CB 4.18Å; V119-L142 HydrophobicContact CG1-CD1 3.96Å; V119-L142 HydrophobicContact CG1-CG 3.91Å; V119-L154 HydrophobicContact CG1-CD1 4.32Å; V119-L154 HydrophobicContact CG1-CD2 4.41Å; V119-L154 HydrophobicContact CG2-CD1 4.2Å; V119-L154 HydrophobicContact CG2-CD2 3.86Å
120	I	98.3	Very high	96.4	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.5	178.2	-55.4	-58.8	0	0	0	109.6	T91 Y93 L104 V118 C133 A138 D140 F141 L142	T91-I120 HydrophobicContact CG2-CD1 3.4Å; T91-I120 CarbonylContact O-C 3.57Å; T91-I120 WeakPolarHBondContact O-CA 3.36Å; Y93-I120 HydrophobicContact CD2-CG2 4.05Å; Y93-I120 HydrophobicContact CG-CG2 4.45Å; L104-I120 HydrophobicContact CB-CD1 4.34Å; V118-I120 HydrophobicContact CG1-CD1 4Å; I120-C133 HydrophobicContact CG1-CB 4.16Å; I120-A138 HydrophobicContact CG1-CB 4.09Å; I120-D140 PolarHBondContact N-O 3.07Å; I120-F141 HydrophobicContact CB-CD2 3.68Å; I120-F141 HydrophobicContact CB-CE2 4Å; I120-F141 HydrophobicContact CB-CG 4.4Å; I120-F141 HydrophobicContact CG1-CD2 4.47Å; I120-F141 HydrophobicContact CG2-CD2 3.74Å; I120-F141 HydrophobicContact CG2-CE2 3.49Å; I120-F141 VanDerWaalsContact CG2-CE2 3.49Å; I120-F141 HydrophobicContact CG2-CZ 4.22Å; I120-F141 CarbonylContact O-C 3.52Å; I120-F141 WeakPolarHBondContact O-CA 3.34Å; I120-L142 PolarHBondContact O-N 2.87Å
121	M	98	Very high	96.5	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	144.3	169.4	-56.9	179.8	-65.3	0	0	109.2	I54 I90 T91 D92 Y93 L142 K144 V146	I54-M121 HydrophobicContact CB-SD 4.32Å; I54-M121 HydrophobicContact CD1-SD 4.05Å; I54-M121 HydrophobicContact CG1-CE 4.43Å; I54-M121 HydrophobicContact CG1-SD 3.84Å; I54-M121 HydrophobicContact CG2-CE 4.46Å; I90-M121 HydrophobicContact CD1-CG 3.99Å; I90-M121 HydrophobicContact CD1-SD 3.71Å; I90-M121 HydrophobicContact CG1-CE 4.01Å; I90-M121 HydrophobicContact CG1-CG 3.75Å; I90-M121 HydrophobicContact CG1-SD 3.68Å; T91-M121 PolarHBondContact O-N 2.91Å; D92-M121 CarbonylContact C-O 3.53Å; D92-M121 VanDerWaalsContact OD1-O 3.05Å; Y93-M121 WeakPolarHBondContact CB-O 3.31Å; Y93-M121 PolarHBondContact N-O 2.93Å; M121-L142 CarbonylContact C-O 3.59Å; M121-L142 VanDerWaalsContact CA-O 3.29Å; M121-L142 WeakPolarHBondContact CA-O 3.39Å; M121-K144 HydrophobicContact CB-CG 4.27Å; M121-V146 HydrophobicContact CG-CG2 4.02Å; M121-V146 HydrophobicContact SD-CG2 3.75Å
122	S	97.4	Very high	96.6	Very high	1 Å²	1	57 Å²	57	1%	0.007	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	139.6	176.5	172.3	0	0	0	0	111.2	E124 L142 L143 K144	S122-E124 PolarHBondContact OG-N 2.94Å; S122-E124 PolarHBondContact OG-O 2.86Å; S122-L142 PolarHBondContact N-O 3.44Å; S122-L143 CarbonylContact O-C 3.53Å; S122-L143 WeakPolarHBondContact O-CA 3.49Å; S122-K144 PolarHBondContact O-N 3.01Å
123	S	95.9	Very high	96.8	Very high	86 Å²	86	53.1 Å²	53.1	60%	0.601	29%	0.289	S	S	*	.	S	Bend	trans	-73.8	-17.6	169.9	-60.3	0	0	0	0	113	K144	S123-K144 WeakPolarHBondContact OG-CD 3.31Å
124	E	95.3	Very high	96.9	Very high	85 Å²	85	55.9 Å²	55.9	40%	0.397	30%	0.304	S	S	.	.	S	Bend	trans	-106.8	137.5	-178	-62.7	171.3	-164.2	0	0	111.4	S122 V126 R129 L143	S122-E124 PolarHBondContact OG-N 2.94Å; S122-E124 PolarHBondContact OG-O 2.86Å; E124-V126 HydrophobicContact CB-CG2 4.18Å; E124-R129 IonicContact OE2-CZ 3.7Å; E124-R129 IonicContact OE2-NH1 2.91Å; E124-R129 PolarHBondContact OE2-NH1 3.35Å; E124-R129 IonicContact OE2-NH2 2.93Å; E124-R129 PolarHBondContact OE2-NH2 2.83Å; E124-L143 WeakPolarHBondContact O-CD2 3.39Å
125	N	95.6	Very high	97	Very high	109 Å²	109	55.9 Å²	55.9	58%	0.583	31%	0.311	S	S	*	.			trans	-99.6	82	175.2	-172.9	7.8	0	0	0	110.8	I130 L143	N125-I130 WeakPolarHBondContact OD1-CD1 3.48Å; N125-L143 HydrophobicContact CB-CD1 3.78Å; N125-L143 HydrophobicContact CB-CD2 3.85Å
126	V	97	Very high	97.2	Very high	48 Å²	48	54.2 Å²	54.2	29%	0.291	29%	0.287	S	S	.	.			trans	-111.4	106.4	-179.9	-179.6	0	0	0	0	109.1	E124 T128 R129 I130	E124-V126 HydrophobicContact CB-CG2 4.18Å; V126-T128 VanDerWaalsContact C-N 3.31Å; V126-T128 WeakPolarHBondContact CG1-OG1 3.46Å; V126-T128 PolarHBondContact O-N 2.77Å; V126-R129 HydrophobicContact CB-CB 3.99Å; V126-R129 HydrophobicContact CG1-CB 4.13Å; V126-R129 WeakPolarHBondContact O-CB 3.34Å; V126-R129 PolarHBondContact O-N 3.03Å; V126-I130 WeakPolarHBondContact O-CG1 3.14Å; V126-I130 PolarHBondContact O-N 2.79Å; V126-I130 VanDerWaalsContact O-N 3.13Å
127	P	96.8	Very high	97.3	Very high	90 Å²	90	54.7 Å²	54.7	58%	0.584	30%	0.298	S	S	*	.	H	α-helix	trans	-54.5	-42.3	-173.5	-30.1	35.9	0	0	0	114.2	R129 I130 S131	P127-R129 VanDerWaalsContact C-N 3.27Å; P127-R129 PolarHBondContact O-N 2.77Å; P127-I130 PolarHBondContact O-N 2.75Å; P127-S131 PolarHBondContact O-N 2.95Å; P127-S131 PolarHBondContact O-OG 3.33Å
128	T	97.2	Very high	97.3	Very high	94 Å²	94	54.3 Å²	54.3	58%	0.577	30%	0.296	S	S	*	.	H	α-helix	trans	-63.9	-31.3	179.1	52.2	0	0	0	0	113	V126 R132	V126-T128 VanDerWaalsContact C-N 3.31Å; V126-T128 WeakPolarHBondContact CG1-OG1 3.46Å; V126-T128 PolarHBondContact O-N 2.77Å; T128-R132 WeakPolarHBondContact O-CB 3.42Å; T128-R132 WeakPolarHBondContact O-CG 3.37Å; T128-R132 PolarHBondContact O-N 3.26Å; T128-R132 VanDerWaalsContact O-N 3.11Å
129	R	96.9	Very high	97.3	Very high	27 Å²	27	57.8 Å²	57.8	10%	0.102	31%	0.313	C	S	.	.	H	α-helix	trans	-71.6	-45.4	174.8	179.2	-174.7	-66.3	159.4	9.2	111.2	Y93 E124 V126 P127 S131 R132 C133 F141	Y93-R129 HydrophobicContact CD2-CG 3.85Å; Y93-R129 HydrophobicContact CE1-CG 4.3Å; Y93-R129 HydrophobicContact CE2-CG 3.29Å; Y93-R129 VanDerWaalsContact CZ-NE 3.26Å; E124-R129 IonicContact OE2-CZ 3.7Å; E124-R129 IonicContact OE2-NH1 2.91Å; E124-R129 PolarHBondContact OE2-NH1 3.35Å; E124-R129 IonicContact OE2-NH2 2.93Å; E124-R129 PolarHBondContact OE2-NH2 2.83Å; V126-R129 HydrophobicContact CB-CB 3.99Å; V126-R129 HydrophobicContact CG1-CB 4.13Å; V126-R129 WeakPolarHBondContact O-CB 3.34Å; V126-R129 PolarHBondContact O-N 3.03Å; P127-R129 VanDerWaalsContact C-N 3.27Å; P127-R129 PolarHBondContact O-N 2.77Å; R129-S131 VanDerWaalsContact C-N 3.34Å; R129-R132 PolarHBondContact O-N 3.45Å; R129-C133 PolarHBondContact O-N 3.29Å; R129-C133 PolarHBondContact O-SG 2.85Å; R129-F141 HydrophobicContact CG-CE2 4.35Å; R129-F141 HydrophobicContact CG-CZ 4.48Å
130	I	97.5	Very high	97.2	Very high	38 Å²	38	59.3 Å²	59.3	20%	0.195	32%	0.321	C	S	.	.	H	α-helix	trans	-57.9	-51.5	178.1	-60.6	174.1	0	0	0	108.9	N125 V126 P127 R132 C133 L134 F141	N125-I130 WeakPolarHBondContact OD1-CD1 3.48Å; V126-I130 WeakPolarHBondContact O-CG1 3.14Å; V126-I130 PolarHBondContact O-N 2.79Å; V126-I130 VanDerWaalsContact O-N 3.13Å; P127-I130 PolarHBondContact O-N 2.75Å; I130-R132 PolarHBondContact O-N 2.78Å; I130-C133 PolarHBondContact O-N 3.21Å; I130-L134 HydrophobicContact CG2-CD1 3.98Å; I130-L134 WeakPolarHBondContact O-CG 3.31Å; I130-L134 PolarHBondContact O-N 3.41Å; I130-F141 HydrophobicContact CB-CG 4.4Å; I130-F141 HydrophobicContact CD1-CD1 4.2Å; I130-F141 HydrophobicContact CD1-CE1 4.19Å; I130-F141 HydrophobicContact CG1-CD1 3.72Å; I130-F141 HydrophobicContact CG1-CD2 4.3Å; I130-F141 HydrophobicContact CG1-CE1 3.64Å; I130-F141 HydrophobicContact CG1-CE2 4.23Å; I130-F141 HydrophobicContact CG1-CG 4.05Å; I130-F141 HydrophobicContact CG1-CZ 3.9Å; I130-F141 HydrophobicContact CG2-CB 4.02Å; I130-F141 HydrophobicContact CG2-CD1 4.35Å; I130-F141 HydrophobicContact CG2-CD2 4.48Å; I130-F141 HydrophobicContact CG2-CG 4.05Å
131	S	97.8	Very high	97.1	Very high	57 Å²	57	60.3 Å²	60.3	40%	0.399	33%	0.325	S	S	.	.	H	α-helix	trans	-55.9	-48.1	177	-61.6	0	0	0	0	112.2	P127 R129 C133 L134 E135	P127-S131 PolarHBondContact O-N 2.95Å; P127-S131 PolarHBondContact O-OG 3.33Å; R129-S131 VanDerWaalsContact C-N 3.34Å; S131-C133 VanDerWaalsContact C-N 3.34Å; S131-C133 PolarHBondContact O-N 2.82Å; S131-L134 PolarHBondContact O-N 2.94Å; S131-E135 WeakPolarHBondContact O-CB 3.41Å; S131-E135 VanDerWaalsContact O-CG 3.26Å; S131-E135 WeakPolarHBondContact O-CG 3.15Å; S131-E135 PolarHBondContact O-N 3.44Å
132	R	97.8	Very high	97	Very high	164 Å²	164	60.9 Å²	60.9	62%	0.619	33%	0.328	S	S	*	.	H	α-helix	trans	-59.4	-40.8	178.1	-77.4	174	-179	-166.7	0.5	113.4	Y101 T128 R129 I130 E136	Y101-R132 HydrophobicContact CE2-CB 4.48Å; T128-R132 WeakPolarHBondContact O-CB 3.42Å; T128-R132 WeakPolarHBondContact O-CG 3.37Å; T128-R132 PolarHBondContact O-N 3.26Å; T128-R132 VanDerWaalsContact O-N 3.11Å; R129-R132 PolarHBondContact O-N 3.45Å; I130-R132 PolarHBondContact O-N 2.78Å; R132-E136 WeakPolarHBondContact O-CB 3.36Å; R132-E136 PolarHBondContact O-N 3.12Å; R132-E136 VanDerWaalsContact O-N 3.09Å
133	C	98.2	Very high	97	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.2	-43.6	178.2	-63.8	0	0	0	0	111.2	L104 I120 R129 I130 S131 E136 G137 A138 F141	L104-C133 HydrophobicContact CD2-CB 4.4Å; L104-C133 WeakPolarHBondContact CD2-O 3.2Å; I120-C133 HydrophobicContact CG1-CB 4.16Å; R129-C133 PolarHBondContact O-N 3.29Å; R129-C133 PolarHBondContact O-SG 2.85Å; I130-C133 PolarHBondContact O-N 3.21Å; S131-C133 VanDerWaalsContact C-N 3.34Å; S131-C133 PolarHBondContact O-N 2.82Å; C133-E136 PolarHBondContact O-N 3.45Å; C133-G137 PolarHBondContact O-N 2.74Å; C133-A138 HydrophobicContact CB-CB 4.16Å; C133-A138 WeakPolarHBondContact O-CB 3.45Å; C133-A138 PolarHBondContact O-N 3.05Å; C133-F141 HydrophobicContact CB-CD2 3.95Å; C133-F141 HydrophobicContact CB-CE2 4.32Å
134	L	97.8	Very high	97	Very high	81 Å²	81	61.5 Å²	61.5	42%	0.424	32%	0.323	S	S	.	.	H	α-helix	trans	-66.9	-40.6	178.8	-64.2	174.1	0	0	0	111.7	I130 S131 E136 G137 A138	I130-L134 HydrophobicContact CG2-CD1 3.98Å; I130-L134 WeakPolarHBondContact O-CG 3.31Å; I130-L134 PolarHBondContact O-N 3.41Å; S131-L134 PolarHBondContact O-N 2.94Å; L134-E136 VanDerWaalsContact C-N 3.31Å; L134-E136 PolarHBondContact O-N 3.01Å; L134-G137 WeakPolarHBondContact O-CA 3.36Å; L134-G137 PolarHBondContact O-N 3.23Å; L134-A138 HydrophobicContact CD2-CB 4.45Å
135	E	98	Very high	97	Very high	158 Å²	158	62.8 Å²	62.8	74%	0.738	34%	0.338	S	S	*	.	H	α-helix	trans	-62.4	-36	175.5	-74.8	167.2	-169.9	0	0	112.6	S131 G137	S131-E135 WeakPolarHBondContact O-CB 3.41Å; S131-E135 VanDerWaalsContact O-CG 3.26Å; S131-E135 WeakPolarHBondContact O-CG 3.15Å; S131-E135 PolarHBondContact O-N 3.44Å; E135-G137 PolarHBondContact O-N 3.04Å
136	E	98	Very high	96.9	Very high	56 Å²	56	58.2 Å²	58.2	26%	0.262	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.5	174.1	-163.9	70.6	-135.7	0	0	112.8	Y101 L104 K105 R132 C133 L134	Y101-E136 HydrophobicContact CE2-CB 3.87Å; Y101-E136 HydrophobicContact CE2-CG 3.97Å; Y101-E136 PolarHBondContact OH-OE2 2.95Å; L104-E136 HydrophobicContact CD2-CB 3.8Å; L104-E136 HydrophobicContact CD2-CG 3.97Å; L104-E136 HydrophobicContact CG-CB 4.38Å; L104-E136 HydrophobicContact CG-CG 4.06Å; K105-E136 WeakPolarHBondContact CE-OE1 3.26Å; K105-E136 HydrophobicContact CG-CG 3.78Å; R132-E136 WeakPolarHBondContact O-CB 3.36Å; R132-E136 PolarHBondContact O-N 3.12Å; R132-E136 VanDerWaalsContact O-N 3.09Å; C133-E136 PolarHBondContact O-N 3.45Å; L134-E136 VanDerWaalsContact C-N 3.31Å; L134-E136 PolarHBondContact O-N 3.01Å
137	G	97.5	Very high	96.7	Very high	34 Å²	34	63 Å²	63	35%	0.351	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.9	21.7	176.3	0	0	0	0	0	114.9	K108 C133 L134 E135	K108-G137 WeakPolarHBondContact CE-O 3.2Å; C133-G137 PolarHBondContact O-N 2.74Å; L134-G137 WeakPolarHBondContact O-CA 3.36Å; L134-G137 PolarHBondContact O-N 3.23Å; E135-G137 PolarHBondContact O-N 3.04Å
138	A	97.6	Very high	96.5	Very high	10 Å²	10	62.4 Å²	62.4	8%	0.083	32%	0.324	C	S	.	.			trans	-59.4	137.2	164.5	0	0	0	0	0	110.1	L104 V118 I120 C133 L134	L104-A138 HydrophobicContact CD1-CB 4.28Å; L104-A138 HydrophobicContact CD2-CB 3.85Å; V118-A138 CarbonylContact O-C 3.52Å; V118-A138 WeakPolarHBondContact O-CA 3.37Å; I120-A138 HydrophobicContact CG1-CB 4.09Å; C133-A138 HydrophobicContact CB-CB 4.16Å; C133-A138 WeakPolarHBondContact O-CB 3.45Å; C133-A138 PolarHBondContact O-N 3.05Å; L134-A138 HydrophobicContact CD2-CB 4.45Å
139	E	96.4	Very high	96.3	Very high	74 Å²	74	60.3 Å²	60.3	35%	0.346	32%	0.316	S	S	.	.	S	Bend	trans	-73.1	-35.4	179.8	-179.2	61.8	-141.9	0	0	111.6	P117 V118 V119 R157	P117-E139 HydrophobicContact CB-CB 3.88Å; P117-E139 HydrophobicContact CB-CG 3.94Å; V118-E139 PolarHBondContact O-N 3.4Å; V119-E139 HydrophobicContact CG2-CB 4.33Å; E139-R157 HydrophobicContact CG-CB 3.97Å; E139-R157 HydrophobicContact CG-CG 4.24Å; E139-R157 WeakPolarHBondContact OE1-CD 3.44Å; E139-R157 WeakPolarHBondContact OE1-CG 3.45Å; E139-R157 IonicContact OE1-NE 3.3Å; E139-R157 PolarHBondContact OE1-NE 3.3Å
140	D	95.8	Very high	96.1	Very high	32 Å²	32	59.9 Å²	59.9	17%	0.171	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	167.5	175	-144.9	-28.3	0	0	0	110.7	V119 I120 L154 R157	V119-D140 WeakPolarHBondContact CA-O 3.36Å; V119-D140 HydrophobicContact CG1-CB 4.17Å; V119-D140 HydrophobicContact CG2-CB 4.18Å; I120-D140 PolarHBondContact N-O 3.07Å; D140-L154 HydrophobicContact CB-CD2 3.99Å; D140-R157 IonicContact OD2-CZ 3.1Å; D140-R157 IonicContact OD2-NH1 2.81Å; D140-R157 PolarHBondContact OD2-NH1 3.11Å; D140-R157 IonicContact OD2-NH2 2.7Å; D140-R157 PolarHBondContact OD2-NH2 3.21Å
141	F	96.7	Very high	95.7	Very high	21 Å²	21	58 Å²	58	9%	0.092	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	119.9	174.9	-166.5	-72.4	0	0	0	110.2	Y93 I120 R129 I130 C133 L143	Y93-F141 HydrophobicContact CD2-CE2 4.49Å; I120-F141 HydrophobicContact CB-CD2 3.68Å; I120-F141 HydrophobicContact CB-CE2 4Å; I120-F141 HydrophobicContact CB-CG 4.4Å; I120-F141 HydrophobicContact CG1-CD2 4.47Å; I120-F141 HydrophobicContact CG2-CD2 3.74Å; I120-F141 HydrophobicContact CG2-CE2 3.49Å; I120-F141 VanDerWaalsContact CG2-CE2 3.49Å; I120-F141 HydrophobicContact CG2-CZ 4.22Å; I120-F141 CarbonylContact O-C 3.52Å; I120-F141 WeakPolarHBondContact O-CA 3.34Å; R129-F141 HydrophobicContact CG-CE2 4.35Å; R129-F141 HydrophobicContact CG-CZ 4.48Å; I130-F141 HydrophobicContact CB-CG 4.4Å; I130-F141 HydrophobicContact CD1-CD1 4.2Å; I130-F141 HydrophobicContact CD1-CE1 4.19Å; I130-F141 HydrophobicContact CG1-CD1 3.72Å; I130-F141 HydrophobicContact CG1-CD2 4.3Å; I130-F141 HydrophobicContact CG1-CE1 3.64Å; I130-F141 HydrophobicContact CG1-CE2 4.23Å; I130-F141 HydrophobicContact CG1-CG 4.05Å; I130-F141 HydrophobicContact CG1-CZ 3.9Å; I130-F141 HydrophobicContact CG2-CB 4.02Å; I130-F141 HydrophobicContact CG2-CD1 4.35Å; I130-F141 HydrophobicContact CG2-CD2 4.48Å; I130-F141 HydrophobicContact CG2-CG 4.05Å; C133-F141 HydrophobicContact CB-CD2 3.95Å; C133-F141 HydrophobicContact CB-CE2 4.32Å; F141-L143 HydrophobicContact CE1-CD2 4.23Å
142	L	96.6	Very high	95.1	Very high	14 Å²	14	58.6 Å²	58.6	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.8	-176.3	-56.3	-176.6	0	0	0	111.3	I90 V119 I120 M121 S122 V146 D150 L154	I90-L142 HydrophobicContact CD1-CD1 4.34Å; V119-L142 HydrophobicContact CG1-CD1 3.96Å; V119-L142 HydrophobicContact CG1-CG 3.91Å; I120-L142 PolarHBondContact O-N 2.87Å; M121-L142 CarbonylContact C-O 3.59Å; M121-L142 VanDerWaalsContact CA-O 3.29Å; M121-L142 WeakPolarHBondContact CA-O 3.39Å; S122-L142 PolarHBondContact N-O 3.44Å; L142-V146 HydrophobicContact CB-CG2 4.21Å; L142-V146 HydrophobicContact CD1-CG1 4.05Å; L142-V146 HydrophobicContact CD1-CG2 4.4Å; L142-D150 HydrophobicContact CD1-CB 4.21Å; L142-D150 HydrophobicContact CD2-CB 4.16Å; L142-L154 HydrophobicContact CD1-CD1 4.29Å
143	L	96.7	Very high	94.5	Very high	70 Å²	70	58.5 Å²	58.5	37%	0.366	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	135	169.9	-69	175.7	0	0	0	110.7	S122 E124 N125 F141 P145	S122-L143 CarbonylContact O-C 3.53Å; S122-L143 WeakPolarHBondContact O-CA 3.49Å; E124-L143 WeakPolarHBondContact O-CD2 3.39Å; N125-L143 HydrophobicContact CB-CD1 3.78Å; N125-L143 HydrophobicContact CB-CD2 3.85Å; F141-L143 HydrophobicContact CE1-CD2 4.23Å; L143-P145 CarbonylContact O-C 3.53Å
144	K	96.2	Very high	93.9	Very high	30 Å²	30	58.6 Å²	58.6	13%	0.13	31%	0.31	C	S	.	.	S	Bend	trans	-74.4	146.4	171.8	-66	179.4	174	-171.9	0	109.9	D45 D50 D92 M121 S122 S123 V146	D45-K144 IonicContact OD1-NZ 2.78Å; D45-K144 WeakPolarHBondContact OD2-CE 3.41Å; D45-K144 IonicContact OD2-NZ 2.83Å; D45-K144 PolarHBondContact OD2-NZ 3.12Å; D50-K144 IonicContact OD2-NZ 3.71Å; D50-K144 PolarHBondContact OD2-NZ 3.05Å; D92-K144 VanDerWaalsContact OD1-CE 3.31Å; D92-K144 WeakPolarHBondContact OD1-CE 3.45Å; D92-K144 IonicContact OD1-NZ 3.74Å; D92-K144 PolarHBondContact OD1-NZ 2.81Å; D92-K144 IonicContact OD2-NZ 3.13Å; D92-K144 PolarHBondContact OD2-NZ 3.21Å; M121-K144 HydrophobicContact CB-CG 4.27Å; S122-K144 PolarHBondContact O-N 3.01Å; S123-K144 WeakPolarHBondContact OG-CD 3.31Å; K144-V146 HydrophobicContact CG-CG2 4.49Å
145	P	94	Very high	92.7	Very high	111 Å²	111	57.8 Å²	57.8	72%	0.721	31%	0.311	S	S	*	.	S	Bend	cis	-74.5	130.1	-2.3	30.8	-34	0	0	0	111.6	L143	L143-P145 CarbonylContact O-C 3.53Å
146	V	94	Very high	91.5	Very high	14 Å²	14	55.3 Å²	55.3	9%	0.085	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-66.7	134.8	176.6	179.3	0	0	0	0	109.2	I54 I57 M121 L142 K144 D150 V151	I54-V146 HydrophobicContact CD1-CB 4.12Å; I54-V146 HydrophobicContact CD1-CG1 3.73Å; I54-V146 HydrophobicContact CD1-CG2 4.49Å; I57-V146 WeakPolarHBondContact CD1-O 3.34Å; M121-V146 HydrophobicContact CG-CG2 4.02Å; M121-V146 HydrophobicContact SD-CG2 3.75Å; L142-V146 HydrophobicContact CB-CG2 4.21Å; L142-V146 HydrophobicContact CD1-CG1 4.05Å; L142-V146 HydrophobicContact CD1-CG2 4.4Å; K144-V146 HydrophobicContact CG-CG2 4.49Å; V146-D150 HydrophobicContact CG1-CB 4.18Å; V146-V151 HydrophobicContact CG1-CG2 4.18Å
147	R	94	Very high	90.2	Very high	147 Å²	147	56.3 Å²	56.3	56%	0.555	31%	0.312	S	S	*	.			trans	-109.6	158.3	-179.5	-55.1	165	-61.8	177.4	4.4	110.3	A149 D150 V151	R147-A149 PolarHBondContact O-N 2.81Å; R147-A149 VanDerWaalsContact O-N 3.12Å; R147-D150 WeakPolarHBondContact CA-OD2 3.5Å; R147-D150 VanDerWaalsContact CB-OD2 3.27Å; R147-D150 WeakPolarHBondContact CB-OD2 3.31Å; R147-D150 IonicContact CZ-OD1 2.71Å; R147-D150 IonicContact CZ-OD2 3.21Å; R147-D150 PolarHBondContact N-OD2 3.4Å; R147-D150 IonicContact NE-OD1 3.88Å; R147-D150 IonicContact NE-OD2 3.15Å; R147-D150 PolarHBondContact NE-OD2 3.1Å; R147-D150 VanDerWaalsContact NE-OD2 3.13Å; R147-D150 IonicContact NH2-OD1 3.65Å; R147-D150 PolarHBondContact NH2-OD1 3.28Å; R147-D150 IonicContact NH2-OD2 2.71Å; R147-D150 WeakPolarHBondContact O-CB 3.49Å; R147-D150 PolarHBondContact O-N 2.99Å; R147-V151 PolarHBondContact O-N 3.09Å
148	P	92.8	Very high	88.8	Confident	78 Å²	78	55.7 Å²	55.7	51%	0.506	30%	0.301	S	S	.	.	H	α-helix	trans	-52.6	-34.6	173.8	-27.8	35.2	0	0	0	114.5	I57 D150 V151 S152	I57-P148 HydrophobicContact CG1-CG 4.38Å; I57-P148 HydrophobicContact CG2-CB 4.26Å; I57-P148 HydrophobicContact CG2-CG 4.24Å; P148-D150 PolarHBondContact O-N 3.5Å; P148-V151 PolarHBondContact O-N 2.76Å; P148-S152 PolarHBondContact O-N 3.18Å
149	A	92.8	Very high	86.9	Confident	50 Å²	50	67.8 Å²	67.8	41%	0.413	34%	0.344	S	S	.	.	H	α-helix	trans	-69.5	-18.2	177.6	0	0	0	0	0	114.3	R147 S152 R153	R147-A149 PolarHBondContact O-N 2.81Å; R147-A149 VanDerWaalsContact O-N 3.12Å; A149-S152 WeakPolarHBondContact CA-OG 3.38Å; A149-S152 PolarHBondContact O-OG 3.2Å; A149-R153 WeakPolarHBondContact O-CG 3.49Å; A149-R153 PolarHBondContact O-NE 2.98Å
150	D	92.4	Very high	86.4	Confident	18 Å²	18	67.5 Å²	67.5	10%	0.096	34%	0.344	C	S	.	.	H	α-helix	trans	-80.6	-43.2	174.9	-54	-46.6	0	0	0	108.9	L142 V146 R147 P148 S152 R153	L142-D150 HydrophobicContact CD1-CB 4.21Å; L142-D150 HydrophobicContact CD2-CB 4.16Å; V146-D150 HydrophobicContact CG1-CB 4.18Å; R147-D150 WeakPolarHBondContact CA-OD2 3.5Å; R147-D150 VanDerWaalsContact CB-OD2 3.27Å; R147-D150 WeakPolarHBondContact CB-OD2 3.31Å; R147-D150 IonicContact CZ-OD1 2.71Å; R147-D150 IonicContact CZ-OD2 3.21Å; R147-D150 PolarHBondContact N-OD2 3.4Å; R147-D150 IonicContact NE-OD1 3.88Å; R147-D150 IonicContact NE-OD2 3.15Å; R147-D150 PolarHBondContact NE-OD2 3.1Å; R147-D150 VanDerWaalsContact NE-OD2 3.13Å; R147-D150 IonicContact NH2-OD1 3.65Å; R147-D150 PolarHBondContact NH2-OD1 3.28Å; R147-D150 IonicContact NH2-OD2 2.71Å; R147-D150 WeakPolarHBondContact O-CB 3.49Å; R147-D150 PolarHBondContact O-N 2.99Å; P148-D150 PolarHBondContact O-N 3.5Å; D150-S152 PolarHBondContact O-N 2.94Å; D150-R153 WeakPolarHBondContact O-CB 3.34Å; D150-R153 PolarHBondContact O-N 2.78Å
151	V	89.1	Confident	86	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65	-36	176	170.2	0	0	0	0	112.8	I54 I57 L58 Y63 V146 R147 P148 R153 L154	I54-V151 HydrophobicContact CD1-CG2 4.22Å; I57-V151 HydrophobicContact CG2-CB 3.96Å; I57-V151 HydrophobicContact CG2-CG1 4.48Å; I57-V151 HydrophobicContact CG2-CG2 3.6Å; L58-V151 HydrophobicContact CD2-CG1 3.86Å; L58-V151 HydrophobicContact CD2-CG2 4.2Å; Y63-V151 HydrophobicContact CD2-CG1 4.39Å; Y63-V151 HydrophobicContact CE2-CG1 3.88Å; V146-V151 HydrophobicContact CG1-CG2 4.18Å; R147-V151 PolarHBondContact O-N 3.09Å; P148-V151 PolarHBondContact O-N 2.76Å; V151-R153 PolarHBondContact O-N 3.22Å; V151-R153 VanDerWaalsContact O-N 3.13Å; V151-L154 WeakPolarHBondContact O-CB 3.26Å; V151-L154 PolarHBondContact O-N 3.31Å
152	S	84.7	Confident	85.4	Confident	69 Å²	69	72 Å²	72	48%	0.483	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.3	176.6	60.8	0	0	0	0	113.3	P148 A149 D150 L154	P148-S152 PolarHBondContact O-N 3.18Å; A149-S152 WeakPolarHBondContact CA-OG 3.38Å; A149-S152 PolarHBondContact O-OG 3.2Å; D150-S152 PolarHBondContact O-N 2.94Å; S152-L154 VanDerWaalsContact C-N 3.31Å
153	R	86.2	Confident	84.7	Confident	162 Å²	162	75.4 Å²	75.4	61%	0.611	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-13.1	176.3	-58.3	168	-172.9	-117.3	-0.8	112.7	A149 D150 V151 R157	A149-R153 WeakPolarHBondContact O-CG 3.49Å; A149-R153 PolarHBondContact O-NE 2.98Å; D150-R153 WeakPolarHBondContact O-CB 3.34Å; D150-R153 PolarHBondContact O-N 2.78Å; V151-R153 PolarHBondContact O-N 3.22Å; V151-R153 VanDerWaalsContact O-N 3.13Å; R153-R157 PolarHBondContact O-NH1 3.13Å
154	L	84.1	Confident	83.9	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.005	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-19.7	175.9	-57.3	-179.3	0	0	0	111.8	M88 I90 V119 D140 L142 V151 S152 S156 R157 I158	M88-L154 HydrophobicContact CE-CB 4.13Å; M88-L154 HydrophobicContact SD-CB 4.44Å; M88-L154 HydrophobicContact SD-CD1 4.11Å; I90-L154 HydrophobicContact CD1-CD1 4.46Å; V119-L154 HydrophobicContact CG1-CD1 4.32Å; V119-L154 HydrophobicContact CG1-CD2 4.41Å; V119-L154 HydrophobicContact CG2-CD1 4.2Å; V119-L154 HydrophobicContact CG2-CD2 3.86Å; D140-L154 HydrophobicContact CB-CD2 3.99Å; L142-L154 HydrophobicContact CD1-CD1 4.29Å; V151-L154 WeakPolarHBondContact O-CB 3.26Å; V151-L154 PolarHBondContact O-N 3.31Å; S152-L154 VanDerWaalsContact C-N 3.31Å; L154-S156 PolarHBondContact O-N 3.23Å; L154-S156 VanDerWaalsContact O-N 3.15Å; L154-R157 WeakPolarHBondContact O-CB 3.21Å; L154-R157 PolarHBondContact O-N 3.36Å; L154-I158 PolarHBondContact O-N 2.7Å
155	C	73.3	Confident	83.1	Confident	65 Å²	65	78.8 Å²	78.8	44%	0.439	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-33	179.8	-65.6	0	0	0	0	113.4	Y63 R157	Y63-C155 WeakPolarHBondContact OH-CA 3.19Å; Y63-C155 PolarHBondContact OH-SG 2.93Å; C155-R157 PolarHBondContact O-N 2.71Å
156	S	73.6	Confident	82.4	Confident	106 Å²	106	76.5 Å²	76.5	74%	0.741	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-6.5	178.9	61	0	0	0	0	114.3	L154	L154-S156 PolarHBondContact O-N 3.23Å; L154-S156 VanDerWaalsContact O-N 3.15Å
157	R	69.4	Low	81.5	Confident	77 Å²	77	81.3 Å²	81.3	29%	0.291	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-12.7	-171.4	-65.4	165.3	159.1	138.4	-23.7	113.3	E139 D140 R153 L154 C155	E139-R157 HydrophobicContact CG-CB 3.97Å; E139-R157 HydrophobicContact CG-CG 4.24Å; E139-R157 WeakPolarHBondContact OE1-CD 3.44Å; E139-R157 WeakPolarHBondContact OE1-CG 3.45Å; E139-R157 IonicContact OE1-NE 3.3Å; E139-R157 PolarHBondContact OE1-NE 3.3Å; D140-R157 IonicContact OD2-CZ 3.1Å; D140-R157 IonicContact OD2-NH1 2.81Å; D140-R157 PolarHBondContact OD2-NH1 3.11Å; D140-R157 IonicContact OD2-NH2 2.7Å; D140-R157 PolarHBondContact OD2-NH2 3.21Å; R153-R157 PolarHBondContact O-NH1 3.13Å; L154-R157 WeakPolarHBondContact O-CB 3.21Å; L154-R157 PolarHBondContact O-N 3.36Å; C155-R157 PolarHBondContact O-N 2.71Å
158	I	68	Low	80.4	Confident	20 Å²	20	75.8 Å²	75.8	10%	0.103	39%	0.39	C	S	.	.			trans	-88.2	111.3	176.6	-62.4	174.3	0	0	0	107.6	K39 V41 Y63 N87 M88 L154	K39-I158 HydrophobicContact CB-CG2 3.85Å; K39-I158 HydrophobicContact CD-CG2 3.74Å; K39-I158 HydrophobicContact CG-CG2 3.67Å; V41-I158 HydrophobicContact CG2-CD1 4.49Å; Y63-I158 HydrophobicContact CD1-CD1 4.17Å; Y63-I158 HydrophobicContact CE1-CD1 3.3Å; Y63-I158 WeakPolarHBondContact OH-CD1 3.44Å; N87-I158 HydrophobicContact CB-CG2 3.67Å; M88-I158 HydrophobicContact CB-CD1 4.24Å; M88-I158 HydrophobicContact CB-CG1 4.22Å; M88-I158 HydrophobicContact CE-CD1 3.74Å; M88-I158 HydrophobicContact CE-CG1 3.32Å; M88-I158 HydrophobicContact SD-CD1 3.88Å; M88-I158 HydrophobicContact SD-CG1 4.11Å; L154-I158 PolarHBondContact O-N 2.7Å
159	R	58.7	Low	79.3	Confident	264 Å²	264	75.6 Å²	75.6	100%	0.996	38%	0.38	S	S	*	.			trans	-78.8	0	175.6	-65	-176.9	-176.6	170.7	2.1	111.1	K39	K39-R159 PolarHBondContact NZ-O 3.33Å; K39-R159 PolarHBondContact NZ-OXT 3.15Å

Retrieved 159 of 159 residues in 128.6 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).