A0A096MNK4_PAPAN Loading...

Copine-8

Probable calcium-dependent phospholipid-binding protein that may play a role in calcium-mediated intracellular processes.

AlphaFold DB (G7PHL3), UniProt , Accession A0A096MNK4, Species PAPAN (Papio anubis, Olive baboon), Gene CPNE8, Length 564 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.6	Very low	26.3	Very low	239 Å²	239	154.6 Å²	154.6	100%	1.177	86%	0.863	S	S	*	*				0	118.7	0	-83.1	172.4	170.7	0	0	107.3
2	D	27.4	Very low	26.5	Very low	140 Å²	140	146.9 Å²	146.9	75%	0.749	84%	0.844	S	S	*	*			trans	37	121.3	159.8	-62.8	-37.6	0	0	0	120.5
3	S	24.5	Very low	26.4	Very low	116 Å²	116	148.4 Å²	148.4	81%	0.811	85%	0.848	S	S	*	*				178.1	138.2	99.3	-69.6	0	0	0	0	111.5
4	R	26.6	Very low	26.3	Very low	226 Å²	226	147.5 Å²	147.5	85%	0.853	84%	0.838	S	S	*	*			trans	-69.3	135.3	-175.9	-63.9	162.7	-133.2	-177.3	1.7	111.1
5	Y	26.1	Very low	26.2	Very low	238 Å²	238	149.1 Å²	149.1	93%	0.933	84%	0.843	S	S	*	*			trans	-87.3	104.7	156.8	-92.1	-87.8	0	0	0	108.6
6	T	25.4	Very low	26.1	Very low	133 Å²	133	149.6 Å²	149.6	82%	0.816	84%	0.836	S	S	*	*			trans	-77.8	115.5	159.7	38.5	0	0	0	0	108.3
7	S	24.8	Very low	26.2	Very low	113 Å²	113	150.3 Å²	150.3	79%	0.79	84%	0.837	S	S	*	*			trans	-117	120.5	161	-176	0	0	0	0	108.2	A9	S7-A9 PolarHBondContact O-N 2.87Å
8	T	26.7	Very low	26.3	Very low	138 Å²	138	148.5 Å²	148.5	85%	0.847	84%	0.836	S	S	*	*			trans	-53.7	113.2	176.6	41.9	0	0	0	0	112.2
9	A	25.9	Very low	26.5	Very low	100 Å²	100	145.3 Å²	145.3	83%	0.826	83%	0.83	S	S	*	*			trans	-84.3	121.5	160.5	0	0	0	0	0	108.2	S7	S7-A9 PolarHBondContact O-N 2.87Å
10	G	23.6	Very low	27.1	Very low	71 Å²	71	139.7 Å²	139.7	73%	0.732	80%	0.802	S	S	*	*			trans	-64.2	146.1	178.7	0	0	0	0	0	112.1	G12	G10-G12 PolarHBondContact O-N 2.79Å
11	I	29.2	Very low	27.9	Very low	187 Å²	187	140.4 Å²	140.4	96%	0.959	80%	0.802	S	S	*	*	S	Bend	trans	-63.4	96.4	166.1	-62.3	164.5	0	0	0	106.6
12	G	28.1	Very low	29	Very low	62 Å²	62	131 Å²	131	64%	0.639	76%	0.759	S	S	*	*			trans	171.3	44.1	-177.3	0	0	0	0	0	114.1	G10	G10-G12 PolarHBondContact O-N 2.79Å
13	D	24.8	Very low	30.7	Very low	166 Å²	166	127.7 Å²	127.7	89%	0.888	75%	0.751	S	S	*	*			trans	-160.7	49.7	167.1	-97.9	-27	0	0	0	111.6
14	L	26.2	Very low	33.3	Very low	136 Å²	136	122.8 Å²	122.8	71%	0.712	72%	0.716	S	S	*	*			trans	-134.7	55.7	170.7	-92.1	164.1	0	0	0	110	Q16	L14-Q16 HydrophobicContact CD2-CG 3.73Å; L14-Q16 VanDerWaalsContact CD2-NE2 3.31Å; L14-Q16 PolarHBondContact O-N 3.11Å
15	N	23.6	Very low	36.2	Very low	172 Å²	172	117.5 Å²	117.5	92%	0.92	70%	0.696	S	S	*	*			trans	-82.4	69.4	150.2	-84.5	-5.1	0	0	0	107.5
16	Q	24.5	Very low	39.2	Very low	156 Å²	156	106.2 Å²	106.2	73%	0.729	65%	0.652	S	S	*	*			trans	-59.8	135.7	154.2	-82.3	175.9	7.7	0	0	106.8	L14 S18	L14-Q16 HydrophobicContact CD2-CG 3.73Å; L14-Q16 VanDerWaalsContact CD2-NE2 3.31Å; L14-Q16 PolarHBondContact O-N 3.11Å; Q16-S18 PolarHBondContact O-N 2.88Å
17	L	28.1	Very low	42.5	Very low	162 Å²	162	102.3 Å²	102.3	85%	0.848	62%	0.624	S	S	*	*			trans	-23.5	121.2	160.6	-69.1	140.2	0	0	0	109.1	A19	L17-A19 PolarHBondContact O-N 2.53Å
18	S	27.9	Very low	45.8	Very low	118 Å²	118	96.9 Å²	96.9	83%	0.825	59%	0.587	S	S	*	*			trans	-56.2	99.4	168.8	58.4	0	0	0	0	106	Q16 A20	Q16-S18 PolarHBondContact O-N 2.88Å; S18-A20 VanDerWaalsContact C-N 3.27Å; S18-A20 PolarHBondContact O-N 2.66Å
19	A	30	Very low	49	Very low	87 Å²	87	91.1 Å²	91.1	72%	0.719	55%	0.552	S	S	*	*			trans	-62.2	101.6	174.1	0	0	0	0	0	104	L17 I21	L17-A19 PolarHBondContact O-N 2.53Å; A19-I21 PolarHBondContact O-N 3.2Å; A19-I21 VanDerWaalsContact O-N 3.12Å
20	A	39.8	Very low	52.4	Low	33 Å²	33	86.5 Å²	86.5	27%	0.273	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-51.5	125.3	169.7	0	0	0	0	0	105.9	S18 P22 F86	S18-A20 VanDerWaalsContact C-N 3.27Å; S18-A20 PolarHBondContact O-N 2.66Å; A20-P22 WeakPolarHBondContact O-CD 3.3Å; A20-F86 HydrophobicContact CB-CE1 3.94Å; A20-F86 WeakPolarHBondContact O-CE1 3.14Å
21	I	43.2	Very low	55.8	Low	156 Å²	156	83.9 Å²	83.9	80%	0.8	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-66.6	123.8	177	-61.8	171.9	0	0	0	105	A19 A23	A19-I21 PolarHBondContact O-N 3.2Å; A19-I21 VanDerWaalsContact O-N 3.12Å; I21-A23 PolarHBondContact O-N 3.15Å
22	P	52.4	Low	58.9	Low	41 Å²	41	75 Å²	75	27%	0.266	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-54	138	179.2	19.6	-30.1	0	0	0	110.7	A20 T24 D84 F86	A20-P22 WeakPolarHBondContact O-CD 3.3Å; P22-T24 PolarHBondContact O-N 3.07Å; P22-D84 HydrophobicContact CB-CB 3.94Å; P22-D84 HydrophobicContact CG-CB 4.25Å; P22-F86 HydrophobicContact CB-CE1 3.9Å; P22-F86 HydrophobicContact CB-CE2 3.96Å; P22-F86 HydrophobicContact CB-CZ 3.56Å; P22-F86 HydrophobicContact CG-CZ 4.27Å
23	A	64.4	Low	62.1	Low	70 Å²	70	75.1 Å²	75.1	58%	0.579	42%	0.419	S	S	*	.	S	Bend	trans	-55.7	-39	176.3	0	0	0	0	0	109.7	I21 Y85	I21-A23 PolarHBondContact O-N 3.15Å; A23-Y85 PolarHBondContact N-O 2.85Å
24	T	78.1	Confident	65.3	Low	13 Å²	13	72.8 Å²	72.8	8%	0.08	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	178.7	170.4	-170	0	0	0	0	111.7	P22 V26 Y85 E152 N154 L299	P22-T24 PolarHBondContact O-N 3.07Å; T24-V26 HydrophobicContact CG2-CG2 4.39Å; T24-Y85 HydrophobicContact CG2-CD1 3.77Å; T24-Y85 HydrophobicContact CG2-CG 4.47Å; T24-Y85 PolarHBondContact N-O 3.17Å; T24-Y85 PolarHBondContact O-N 3.1Å; T24-E152 VanDerWaalsContact CB-OE1 3.22Å; T24-E152 WeakPolarHBondContact CB-OE1 3.39Å; T24-E152 HydrophobicContact CG2-CG 3.77Å; T24-E152 WeakPolarHBondContact CG2-OE1 3.36Å; T24-E152 WeakPolarHBondContact OG1-CG 3.46Å; T24-E152 PolarHBondContact OG1-OE1 3.45Å; T24-N154 PolarHBondContact OG1-OD1 3.33Å; T24-L299 HydrophobicContact CG2-CD1 3.85Å
25	R	87.3	Confident	68.5	Low	116 Å²	116	66.5 Å²	66.5	44%	0.438	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	146.1	168	-73.8	-171.6	-64.2	177.3	1.8	110	L83 D84 L153	R25-L83 CarbonylContact C-O 3.57Å; R25-L83 WeakPolarHBondContact CA-O 3.31Å; R25-D84 WeakPolarHBondContact CD-OD1 3.15Å; R25-D84 WeakPolarHBondContact CG-OD1 3.2Å; R25-L153 HydrophobicContact CB-CB 4.12Å; R25-L153 HydrophobicContact CB-CD1 4.27Å; R25-L153 WeakPolarHBondContact O-CB 2.85Å; R25-L153 PolarHBondContact O-N 3.21Å
26	V	90	Very high	71.5	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.2	-179.1	178.5	0	0	0	0	109.8	T24 V28 I82 L83 Y85 L120 V124 A150 E151 L299	T24-V26 HydrophobicContact CG2-CG2 4.39Å; V26-V28 HydrophobicContact CG1-CG2 4.31Å; V26-I82 WeakPolarHBondContact O-CA 2.77Å; V26-L83 PolarHBondContact N-O 3.37Å; V26-L83 PolarHBondContact O-N 3.14Å; V26-Y85 HydrophobicContact CG2-CG 4.16Å; V26-L120 HydrophobicContact CG1-CD1 4.43Å; V26-V124 HydrophobicContact CG1-CG1 4.33Å; V26-V124 HydrophobicContact CG2-CG1 4.42Å; V26-A150 HydrophobicContact CG1-CB 3.52Å; V26-E151 CarbonylContact C-O 3.57Å; V26-E151 WeakPolarHBondContact CA-O 3.32Å; V26-L299 HydrophobicContact CG2-CD1 4.29Å
27	E	93.1	Very high	74.4	Confident	50 Å²	50	55.8 Å²	55.8	23%	0.234	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	119.2	168	-173.5	175.1	88.9	0	0	109.7	K80 F81 A150 E151 L153	E27-K80 HydrophobicContact CG-CB 3.34Å; E27-K80 HydrophobicContact CG-CG 3.8Å; E27-F81 CarbonylContact C-O 3.57Å; E27-F81 WeakPolarHBondContact CA-O 3.14Å; E27-A150 CarbonylContact O-C 3.54Å; E27-A150 WeakPolarHBondContact O-CA 3.38Å; E27-E151 PolarHBondContact N-O 3.23Å; E27-E151 PolarHBondContact O-N 3.12Å; E27-L153 HydrophobicContact CB-CD1 3.97Å; E27-L153 HydrophobicContact CB-CD2 3.87Å; E27-L153 HydrophobicContact CB-CG 3.8Å
28	V	94.9	Very high	76.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.6	175.5	176.6	0	0	0	0	109.4	V26 K80 F81 L83 F95 L120 I123 T149	V26-V28 HydrophobicContact CG1-CG2 4.31Å; V28-K80 WeakPolarHBondContact O-CA 3.49Å; V28-F81 HydrophobicContact CB-CB 4.4Å; V28-F81 PolarHBondContact N-O 2.68Å; V28-F81 PolarHBondContact O-N 3.29Å; V28-L83 HydrophobicContact CG2-CD1 4.06Å; V28-F95 HydrophobicContact CG1-CE1 4.47Å; V28-F95 HydrophobicContact CG1-CZ 4.26Å; V28-L120 HydrophobicContact CG2-CD1 3.88Å; V28-I123 HydrophobicContact CG1-CD1 4.41Å; V28-T149 CarbonylContact C-O 3.59Å; V28-T149 WeakPolarHBondContact CA-O 3.5Å
29	S	94.3	Very high	78.4	Confident	16 Å²	16	49.4 Å²	49.4	11%	0.112	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	146	167.4	-61.6	0	0	0	0	110.9	K80 L148 T149	S29-K80 VanDerWaalsContact CB-NZ 3.32Å; S29-K80 WeakPolarHBondContact OG-CD 3.39Å; S29-K80 WeakPolarHBondContact OG-CE 3.35Å; S29-K80 PolarHBondContact OG-NZ 2.93Å; S29-L148 WeakPolarHBondContact O-CA 3.36Å; S29-T149 VanDerWaalsContact CB-OG1 3.29Å; S29-T149 WeakPolarHBondContact CB-OG1 3.44Å; S29-T149 PolarHBondContact N-O 3.48Å; S29-T149 PolarHBondContact O-N 3.37Å
30	V	96.5	Very high	79.8	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.018	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.7	175.9	-173.7	0	0	0	0	109.5	C48 F77 F81 F95 I146 L148	V30-C48 HydrophobicContact CG1-CB 4.36Å; V30-F77 HydrophobicContact CB-CD2 4.06Å; V30-F77 HydrophobicContact CG1-CD2 4.02Å; V30-F77 HydrophobicContact CG1-CE2 4.3Å; V30-F77 WeakPolarHBondContact O-CB 3.32Å; V30-F77 WeakPolarHBondContact O-CD2 3.44Å; V30-F77 PolarHBondContact O-N 3.47Å; V30-F77 VanDerWaalsContact O-N 3.12Å; V30-F81 HydrophobicContact CG2-CD2 4.08Å; V30-F81 HydrophobicContact CG2-CE2 3.84Å; V30-F95 HydrophobicContact CG2-CD1 4.09Å; V30-F95 HydrophobicContact CG2-CE1 3.78Å; V30-I146 HydrophobicContact CG1-CD1 3.8Å; V30-I146 HydrophobicContact CG1-CG1 3.91Å; V30-L148 HydrophobicContact CB-CD2 4.27Å; V30-L148 HydrophobicContact CG1-CD2 4.05Å; V30-L148 HydrophobicContact CG2-CD2 3.76Å
31	S	94.6	Very high	80.8	Confident	16 Å²	16	59.3 Å²	59.3	11%	0.112	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.3	161.4	61.5	0	0	0	0	110.6	P75 D76 I147	S31-P75 CarbonylContact C-O 3.58Å; S31-P75 VanDerWaalsContact CA-O 3.27Å; S31-P75 WeakPolarHBondContact CA-O 3.44Å; S31-P75 VanDerWaalsContact CB-O 3.27Å; S31-P75 WeakPolarHBondContact CB-O 3.46Å; S31-D76 WeakPolarHBondContact CB-OD1 3.42Å; S31-D76 PolarHBondContact OG-OD1 3.44Å; S31-I147 PolarHBondContact N-O 3.29Å; S31-I147 PolarHBondContact O-N 3.49Å; S31-I147 WeakPolarHBondContact OG-CB 3.21Å
32	C	95.2	Very high	82.3	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.4	178.2	-56.2	0	0	0	0	110.7	L35 N74 P75 T145	C32-L35 HydrophobicContact CB-CD1 3.93Å; C32-L35 HydrophobicContact CB-CD2 3.6Å; C32-L35 HydrophobicContact CB-CG 3.74Å; C32-N74 CarbonylContact O-C 3.45Å; C32-N74 WeakPolarHBondContact O-CA 3.41Å; C32-P75 HydrophobicContact CB-CG 3.78Å; C32-P75 PolarHBondContact N-O 2.81Å; C32-T145 CarbonylContact C-O 3.57Å; C32-T145 VanDerWaalsContact CA-O 3.26Å; C32-T145 WeakPolarHBondContact CA-O 3.32Å
33	R	95.6	Very high	83.7	Confident	65 Å²	65	57.5 Å²	57.5	25%	0.245	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.9	175.2	-61	-63.6	178.6	-96.2	4.2	110.7	L35 N74 P75 D76 G144 T145 I147	R33-L35 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 3.41Å; R33-N74 VanDerWaalsContact CA-OD1 3.27Å; R33-N74 WeakPolarHBondContact CA-OD1 3.45Å; R33-N74 WeakPolarHBondContact CD-OD1 3.2Å; R33-P75 PolarHBondContact NH1-O 2.9Å; R33-D76 IonicContact CZ-OD1 2.79Å; R33-D76 VanDerWaalsContact CZ-OD1 3.3Å; R33-D76 IonicContact CZ-OD2 3.09Å; R33-D76 IonicContact NH1-OD1 3.52Å; R33-D76 PolarHBondContact NH1-OD1 3.02Å; R33-D76 IonicContact NH1-OD2 2.74Å; R33-D76 IonicContact NH2-OD1 3.65Å; R33-D76 PolarHBondContact NH2-OD1 2.86Å; R33-D76 IonicContact NH2-OD2 2.66Å; R33-D76 PolarHBondContact NH2-OD2 2.56Å; R33-G144 CarbonylContact O-C 3.58Å; R33-G144 VanDerWaalsContact O-CA 3.27Å; R33-G144 WeakPolarHBondContact O-CA 3.31Å; R33-T145 PolarHBondContact N-O 2.92Å; R33-T145 PolarHBondContact O-N 3.38Å; R33-I147 HydrophobicContact CG-CD1 3.72Å
34	N	92.7	Very high	84.7	Confident	117 Å²	117	54.2 Å²	54.2	63%	0.626	27%	0.265	S	S	*	.	S	Bend	trans	53.2	46	177.3	-51.2	-53.7	0	0	0	113.3	L73 N74 G144	N34-L73 PolarHBondContact N-O 2.65Å; N34-N74 PolarHBondContact N-OD1 3.34Å; N34-G144 WeakPolarHBondContact O-CA 3.09Å; N34-G144 PolarHBondContact O-N 3.42Å
35	L	92.9	Very high	85.3	Confident	5 Å²	5	55.7 Å²	55.7	3%	0.026	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-54.8	152.8	174	-68.9	-179	0	0	0	111.4	C32 R33 D37 P46 L73 P75 L113 I135	C32-L35 HydrophobicContact CB-CD1 3.93Å; C32-L35 HydrophobicContact CB-CD2 3.6Å; C32-L35 HydrophobicContact CB-CG 3.74Å; R33-L35 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 3.41Å; L35-D37 PolarHBondContact O-N 3.31Å; L35-P46 HydrophobicContact CD1-CB 3.63Å; L35-P46 HydrophobicContact CD1-CG 4.05Å; L35-L73 HydrophobicContact CB-CB 4.35Å; L35-L73 HydrophobicContact CB-CD2 4.39Å; L35-L73 PolarHBondContact N-O 3.02Å; L35-P75 HydrophobicContact CD1-CG 3.74Å; L35-L113 HydrophobicContact CD1-CD1 4.3Å; L35-I135 HydrophobicContact CD2-CD1 3.39Å
36	L	87.1	Confident	85.6	Confident	27 Å²	27	50.2 Å²	50.2	14%	0.141	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-62.4	122.7	175.2	178.9	64.5	0	0	0	109.8	R38 S44 L113 I138	L36-R38 HydrophobicContact CG-CG 4.49Å; L36-R38 PolarHBondContact O-N 3.39Å; L36-S44 PolarHBondContact O-OG 3.2Å; L36-L113 HydrophobicContact CB-CD2 4.47Å; L36-L113 WeakPolarHBondContact O-CD2 3.46Å; L36-I138 HydrophobicContact CD2-CD1 3.69Å
37	D	83.6	Confident	85.9	Confident	75 Å²	75	51 Å²	51	40%	0.401	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-78.1	116.1	173.9	-155.9	-5	0	0	0	109.6	L35 L73	L35-D37 PolarHBondContact O-N 3.31Å; D37-L73 HydrophobicContact CB-CD1 4.07Å; D37-L73 HydrophobicContact CB-CD2 4.1Å
38	R	73.1	Confident	86.2	Confident	102 Å²	102	48.6 Å²	48.6	39%	0.385	25%	0.245	S	C	.	.			trans	-100.2	-18.8	178.8	-75.5	-68.5	-171.2	162.6	5.3	113	L36 D111 L113	L36-R38 HydrophobicContact CG-CG 4.49Å; L36-R38 PolarHBondContact O-N 3.39Å; R38-D111 HydrophobicContact CG-CB 4.35Å; R38-L113 HydrophobicContact CB-CD2 4.44Å; R38-L113 HydrophobicContact CG-CD2 3.59Å
39	D	66.9	Low	86.3	Confident	45 Å²	45	48.6 Å²	48.6	24%	0.241	25%	0.245	C	C	.	.			trans	-84.5	144.1	-176.9	-85.2	-19.4	0	0	0	112.6	S42	D39-S42 WeakPolarHBondContact CB-O 3.42Å; D39-S42 WeakPolarHBondContact CB-OG 3.31Å; D39-S42 VanDerWaalsContact CG-OG 3.26Å; D39-S42 PolarHBondContact OD2-OG 3.28Å
40	T	60.8	Low	86.5	Confident	123 Å²	123	47.9 Å²	47.9	76%	0.755	24%	0.239	S	C	*	.	S	Bend	trans	-87.3	-22	-179.3	-48.7	0	0	0	0	112.3
41	F	59.3	Low	86.6	Confident	205 Å²	205	49 Å²	49	90%	0.899	24%	0.244	S	C	*	.	S	Bend	trans	-134.8	-1.4	-172.5	-60.1	-74.3	0	0	0	114.3
42	S	75.9	Confident	86.6	Confident	58 Å²	58	50.2 Å²	50.2	41%	0.406	25%	0.25	S	C	.	.	S	Bend	trans	-140.2	177	177.1	38	0	0	0	0	109.1	D39	D39-S42 WeakPolarHBondContact CB-O 3.42Å; D39-S42 WeakPolarHBondContact CB-OG 3.31Å; D39-S42 VanDerWaalsContact CG-OG 3.26Å; D39-S42 PolarHBondContact OD2-OG 3.28Å
43	K	80.6	Confident	86.5	Confident	101 Å²	101	51.9 Å²	51.9	44%	0.439	26%	0.258	S	S	.	.			trans	-94.7	158.8	162.1	-56.4	170.4	179.4	173.6	0	108.4	N71 L73	K43-N71 WeakPolarHBondContact CB-OD1 3.25Å; K43-N71 WeakPolarHBondContact CG-OD1 3.17Å; K43-N71 PolarHBondContact N-OD1 3.45Å; K43-L73 HydrophobicContact CB-CD2 4.15Å; K43-L73 HydrophobicContact CB-CG 4.24Å; K43-L73 HydrophobicContact CD-CG 4.34Å; K43-L73 HydrophobicContact CG-CG 4.36Å
44	S	85.8	Confident	85.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.268	C	S	.	.			trans	-51.6	151	174	-62.1	0	0	0	0	114.9	L36 P46 N71 T72 D99	L36-S44 PolarHBondContact O-OG 3.2Å; S44-P46 WeakPolarHBondContact O-CD 3.49Å; S44-N71 WeakPolarHBondContact O-CA 3.49Å; S44-N71 PolarHBondContact O-N 3.16Å; S44-T72 PolarHBondContact O-N 3.26Å; S44-D99 VanDerWaalsContact CA-OD1 3.29Å; S44-D99 WeakPolarHBondContact CA-OD1 3.44Å; S44-D99 VanDerWaalsContact CA-OD2 3.27Å; S44-D99 WeakPolarHBondContact CA-OD2 3.49Å; S44-D99 WeakPolarHBondContact CB-OD1 3.06Å; S44-D99 WeakPolarHBondContact CB-OD2 3.29Å; S44-D99 PolarHBondContact OG-OD2 3.26Å
45	D	90.8	Very high	84.6	Confident	45 Å²	45	48.1 Å²	48.1	24%	0.241	26%	0.255	C	S	.	.			trans	-105	74.4	172.8	-66.1	-24.1	0	0	0	109.6	V68 I69 D70 N71 D99 V100	D45-V68 HydrophobicContact CB-CG1 3.96Å; D45-I69 WeakPolarHBondContact CA-O 3.14Å; D45-D70 VanDerWaalsContact OD1-CA 3.29Å; D45-D70 WeakPolarHBondContact OD1-CA 3.38Å; D45-N71 PolarHBondContact OD1-N 3.33Å; D45-D99 PolarHBondContact N-OD1 3.3Å; D45-V100 HydrophobicContact CB-CB 4.45Å; D45-V100 PolarHBondContact O-N 3Å
46	P	94.5	Very high	83.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142.6	-168.7	26.2	-39.3	0	0	0	114.6	L35 S44 V68 I69 T72 P75 F77 Y98 L113	L35-P46 HydrophobicContact CD1-CB 3.63Å; L35-P46 HydrophobicContact CD1-CG 4.05Å; S44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-V68 WeakPolarHBondContact O-CA 3.5Å; P46-I69 WeakPolarHBondContact CD-O 3.29Å; P46-I69 PolarHBondContact O-N 3.07Å; P46-I69 VanDerWaalsContact O-N 3.14Å; P46-T72 VanDerWaalsContact CD-O 3.29Å; P46-T72 WeakPolarHBondContact CD-O 3.1Å; P46-T72 HydrophobicContact CG-CG2 3.86Å; P46-T72 WeakPolarHBondContact CG-O 3.37Å; P46-P75 HydrophobicContact CB-CB 4.48Å; P46-P75 HydrophobicContact CB-CG 4.04Å; P46-P75 HydrophobicContact CG-CB 3.74Å; P46-P75 HydrophobicContact CG-CG 3.64Å; P46-F77 HydrophobicContact CB-CZ 4.26Å; P46-F77 WeakPolarHBondContact O-CE1 3.49Å; P46-Y98 CarbonylContact C-O 3.6Å; P46-Y98 VanDerWaalsContact CA-O 3.28Å; P46-Y98 WeakPolarHBondContact CA-O 3.46Å; P46-L113 HydrophobicContact CB-CD1 4.44Å
47	I	96.7	Very high	82.8	Confident	18 Å²	18	50.5 Å²	50.5	9%	0.092	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	146	162.8	-170.4	173.6	0	0	0	110	R65 V68 L97 Y98 V100	I47-R65 HydrophobicContact CD1-CB 4.01Å; I47-R65 HydrophobicContact CG1-CB 4.49Å; I47-V68 HydrophobicContact CB-CG2 4.25Å; I47-V68 HydrophobicContact CD1-CG2 4.16Å; I47-V68 HydrophobicContact CG1-CG2 4.49Å; I47-L97 WeakPolarHBondContact O-CA 3.37Å; I47-Y98 PolarHBondContact N-O 3.21Å; I47-Y98 PolarHBondContact O-N 2.97Å; I47-V100 HydrophobicContact CB-CG2 3.92Å; I47-V100 HydrophobicContact CG2-CG2 3.45Å; I47-V100 VanDerWaalsContact CG2-CG2 3.45Å
48	C	97.8	Very high	82.5	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132	171.6	-175.9	0	0	0	0	111.4	V30 R65 T66 F77 L97	V30-C48 HydrophobicContact CG1-CB 4.36Å; C48-R65 CarbonylContact O-C 3.31Å; C48-R65 WeakPolarHBondContact O-CA 3.42Å; C48-T66 HydrophobicContact CB-CG2 3.86Å; C48-T66 PolarHBondContact N-OG1 2.98Å; C48-T66 PolarHBondContact O-N 2.99Å; C48-T66 PolarHBondContact O-OG1 3.08Å; C48-F77 HydrophobicContact CB-CD2 4.4Å; C48-F77 HydrophobicContact CB-CE2 3.94Å; C48-F77 HydrophobicContact CB-CZ 4.17Å; C48-L97 HydrophobicContact CB-CD1 3.63Å
49	V	98.4	Very high	83.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120	175.7	-173.9	0	0	0	0	108.7	Y51 E62 R65 F95 D96 Y98 L107	V49-Y51 HydrophobicContact CB-CE2 3.92Å; V49-Y51 HydrophobicContact CG1-CD2 4.03Å; V49-Y51 HydrophobicContact CG1-CE2 3.35Å; V49-E62 HydrophobicContact CG1-CG 3.76Å; V49-R65 HydrophobicContact CB-CG 4.45Å; V49-R65 HydrophobicContact CG1-CG 4.11Å; V49-R65 HydrophobicContact CG2-CG 3.99Å; V49-F95 WeakPolarHBondContact O-CA 3.46Å; V49-D96 HydrophobicContact CB-CB 4.49Å; V49-D96 PolarHBondContact N-O 3.12Å; V49-D96 PolarHBondContact O-N 3.4Å; V49-Y98 HydrophobicContact CG2-CD2 4.08Å; V49-Y98 HydrophobicContact CG2-CE2 4.16Å; V49-L107 HydrophobicContact CG1-CD1 4.4Å; V49-L107 HydrophobicContact CG2-CD1 4.11Å; V49-L107 HydrophobicContact CG2-CD2 3.95Å
50	L	98.4	Very high	84.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129.8	174	175.3	59.8	0	0	0	109.8	F63 G64 F81 L83 L93 F95	L50-F63 HydrophobicContact CB-CB 4.38Å; L50-F63 HydrophobicContact CD2-CB 4.19Å; L50-F63 HydrophobicContact CD2-CD1 3.82Å; L50-F63 HydrophobicContact CD2-CG 4.16Å; L50-F63 HydrophobicContact CG-CB 3.98Å; L50-F63 HydrophobicContact CG-CD1 4.48Å; L50-F63 HydrophobicContact CG-CG 4.49Å; L50-F63 WeakPolarHBondContact O-CB 3.48Å; L50-F63 PolarHBondContact O-N 3.38Å; L50-G64 PolarHBondContact N-O 3.22Å; L50-G64 PolarHBondContact O-N 2.83Å; L50-F81 HydrophobicContact CB-CD1 4.15Å; L50-F81 HydrophobicContact CB-CD2 4.15Å; L50-F81 HydrophobicContact CB-CE1 3.89Å; L50-F81 HydrophobicContact CB-CE2 3.88Å; L50-F81 HydrophobicContact CB-CG 4.27Å; L50-F81 HydrophobicContact CB-CZ 3.74Å; L50-F81 HydrophobicContact CD2-CB 3.74Å; L50-F81 HydrophobicContact CD2-CD1 3.94Å; L50-F81 HydrophobicContact CD2-CD2 3.85Å; L50-F81 HydrophobicContact CD2-CE2 4.44Å; L50-F81 HydrophobicContact CD2-CG 3.56Å; L50-L83 HydrophobicContact CD2-CD1 4.36Å; L50-L83 HydrophobicContact CD2-CD2 4.3Å; L50-L93 HydrophobicContact CD1-CB 4.1Å; L50-L93 HydrophobicContact CD1-CD2 4.27Å; L50-F95 HydrophobicContact CB-CE1 4.5Å; L50-F95 HydrophobicContact CD1-CD1 4.03Å; L50-F95 HydrophobicContact CD1-CD2 4.32Å; L50-F95 HydrophobicContact CD1-CE1 3.71Å; L50-F95 HydrophobicContact CD1-CE2 3.99Å; L50-F95 HydrophobicContact CD1-CG 4.33Å; L50-F95 HydrophobicContact CD1-CZ 3.69Å; L50-F95 HydrophobicContact CG-CE1 4.47Å
51	Y	97.8	Very high	86.2	Confident	28 Å²	28	60.4 Å²	60.4	11%	0.11	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	142.9	166.7	-61.2	-99.7	0	0	0	110.4	V49 W60 R61 E62 R94 D96 L107	V49-Y51 HydrophobicContact CB-CE2 3.92Å; V49-Y51 HydrophobicContact CG1-CD2 4.03Å; V49-Y51 HydrophobicContact CG1-CE2 3.35Å; Y51-W60 HydrophobicContact CD1-CB 4.33Å; Y51-R61 CarbonylContact C-O 3.52Å; Y51-R61 WeakPolarHBondContact CA-O 3.35Å; Y51-E62 HydrophobicContact CD1-CB 4.04Å; Y51-E62 HydrophobicContact CE1-CB 3.81Å; Y51-E62 HydrophobicContact CE1-CG 4.34Å; Y51-R94 PolarHBondContact N-O 2.87Å; Y51-R94 PolarHBondContact O-N 3.4Å; Y51-D96 HydrophobicContact CE2-CB 4.04Å; Y51-D96 WeakPolarHBondContact CE2-OD2 3.29Å; Y51-L107 VanDerWaalsContact OH-CD1 3.29Å; Y51-L107 WeakPolarHBondContact OH-CD1 3.4Å
52	V	95.8	Very high	88	Confident	40 Å²	40	54.9 Å²	54.9	24%	0.242	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.3	174.4	-64.8	0	0	0	0	110	R61 F63 L83 L93	V52-R61 PolarHBondContact N-O 3.16Å; V52-R61 PolarHBondContact O-N 2.77Å; V52-F63 HydrophobicContact CG1-CB 3.94Å; V52-F63 HydrophobicContact CG1-CD2 3.91Å; V52-F63 HydrophobicContact CG1-CG 4.11Å; V52-F63 HydrophobicContact CG2-CB 4.25Å; V52-F63 HydrophobicContact CG2-CD2 4.13Å; V52-L83 HydrophobicContact CG1-CD2 4.35Å; V52-L93 HydrophobicContact CG1-CD2 3.85Å
53	Q	91.4	Very high	89	Confident	36 Å²	36	56.5 Å²	56.5	17%	0.168	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.5	173.5	-178.6	-175.6	61.3	0	0	109.3	N57 K58 W60 N92	Q53-N57 WeakPolarHBondContact CG-O 3.32Å; Q53-N57 PolarHBondContact NE2-O 3.45Å; Q53-K58 PolarHBondContact NE2-O 3.1Å; Q53-W60 HydrophobicContact CB-CD2 3.91Å; Q53-W60 HydrophobicContact CB-CE3 3.67Å; Q53-W60 HydrophobicContact CB-CH2 4.02Å; Q53-W60 HydrophobicContact CB-CZ2 4.22Å; Q53-W60 HydrophobicContact CB-CZ3 3.72Å; Q53-N92 HydrophobicContact CB-CB 4.11Å; Q53-N92 PolarHBondContact N-O 3.2Å; Q53-N92 VanDerWaalsContact N-O 3.1Å; Q53-N92 PolarHBondContact OE1-ND2 2.85Å
54	G	76.8	Confident	89.7	Confident	44 Å²	44	52.3 Å²	52.3	45%	0.454	26%	0.264	S	S	.	.			trans	-69.2	154.3	177	0	0	0	0	0	112.4	G56 N57	G54-G56 PolarHBondContact O-N 2.87Å; G54-N57 WeakPolarHBondContact O-CB 3.26Å; G54-N57 PolarHBondContact O-N 2.77Å
55	V	71.3	Confident	90.3	Very high	59 Å²	59	55 Å²	55	36%	0.358	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	129.9	178.5	175.3	0	0	0	0	111.8	N57 L518 A521	V55-N57 PolarHBondContact O-N 2.87Å; V55-N57 VanDerWaalsContact O-N 3.14Å; V55-L518 HydrophobicContact CG1-CD2 4.35Å; V55-A521 HydrophobicContact CB-CB 4.41Å; V55-A521 HydrophobicContact CG1-CB 3.13Å
56	G	67.8	Low	90.6	Very high	36 Å²	36	53.2 Å²	53.2	37%	0.371	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	-4.1	179.5	0	0	0	0	0	114.9	G54	G54-G56 PolarHBondContact O-N 2.87Å
57	N	75.1	Confident	90.6	Very high	45 Å²	45	56 Å²	56	24%	0.241	28%	0.278	C	S	.	.			trans	-92.5	133.4	173.5	-169.2	7.2	0	0	0	110.4	Q53 G54 V55 E59 R61	Q53-N57 WeakPolarHBondContact CG-O 3.32Å; Q53-N57 PolarHBondContact NE2-O 3.45Å; G54-N57 WeakPolarHBondContact O-CB 3.26Å; G54-N57 PolarHBondContact O-N 2.77Å; V55-N57 PolarHBondContact O-N 2.87Å; V55-N57 VanDerWaalsContact O-N 3.14Å; N57-E59 PolarHBondContact ND2-O 2.75Å; N57-E59 PolarHBondContact OD1-N 3.05Å; N57-R61 PolarHBondContact ND2-NH2 2.68Å
58	K	78	Confident	90.6	Very high	192 Å²	192	57.8 Å²	57.8	84%	0.835	29%	0.29	S	S	*	.			trans	-84.9	-18.5	175	-66.1	-174.7	178.8	-179.4	0	112.4	Q53	Q53-K58 PolarHBondContact NE2-O 3.1Å
59	E	89.2	Confident	90.1	Very high	132 Å²	132	59.9 Å²	59.9	62%	0.617	30%	0.3	S	S	*	.			trans	-90.1	132.6	-175.2	-63.3	-176.3	167.9	0	0	112.5	N57	N57-E59 PolarHBondContact ND2-O 2.75Å; N57-E59 PolarHBondContact OD1-N 3.05Å
60	W	94.3	Very high	89.7	Confident	69 Å²	69	65.8 Å²	65.8	26%	0.261	33%	0.332	S	S	.	.			trans	-79.3	133.4	168.9	-70.7	93.7	0	0	0	109.9	Y51 Q53 N92 R94 F117	Y51-W60 HydrophobicContact CD1-CB 4.33Å; Q53-W60 HydrophobicContact CB-CD2 3.91Å; Q53-W60 HydrophobicContact CB-CE3 3.67Å; Q53-W60 HydrophobicContact CB-CH2 4.02Å; Q53-W60 HydrophobicContact CB-CZ2 4.22Å; Q53-W60 HydrophobicContact CB-CZ3 3.72Å; W60-N92 HydrophobicContact CH2-CB 3.91Å; W60-N92 HydrophobicContact CZ3-CB 4.37Å; W60-R94 HydrophobicContact CD2-CB 4.2Å; W60-R94 HydrophobicContact CE3-CB 3.73Å; W60-R94 HydrophobicContact CH2-CB 3.73Å; W60-R94 HydrophobicContact CZ2-CB 4.2Å; W60-R94 HydrophobicContact CZ3-CB 3.48Å; W60-R94 VanDerWaalsContact CZ3-CB 3.48Å; W60-F117 HydrophobicContact CH2-CD1 4.09Å; W60-F117 HydrophobicContact CH2-CE1 4.42Å; W60-F117 AromaticContact CZ2-CD1 3.78Å; W60-F117 HydrophobicContact CZ2-CD1 3.78Å; W60-F117 AromaticContact CZ2-CE1 3.77Å; W60-F117 HydrophobicContact CZ2-CE1 3.77Å
61	R	94.8	Very high	89.1	Confident	160 Å²	160	70.1 Å²	70.1	60%	0.604	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	132.5	176.7	-62.7	-176.1	-173.1	171.1	4.9	109.6	Y51 V52 N57 F63	Y51-R61 CarbonylContact C-O 3.52Å; Y51-R61 WeakPolarHBondContact CA-O 3.35Å; V52-R61 PolarHBondContact N-O 3.16Å; V52-R61 PolarHBondContact O-N 2.77Å; N57-R61 PolarHBondContact ND2-NH2 2.68Å; R61-F63 PolarHBondContact O-N 2.92Å
62	E	96.6	Very high	88.7	Confident	89 Å²	89	70.1 Å²	70.1	42%	0.416	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	120.7	173.5	-171.1	-176.9	137.2	0	0	108.7	V49 Y51 R65	V49-E62 HydrophobicContact CG1-CG 3.76Å; Y51-E62 HydrophobicContact CD1-CB 4.04Å; Y51-E62 HydrophobicContact CE1-CB 3.81Å; Y51-E62 HydrophobicContact CE1-CG 4.34Å; E62-R65 VanDerWaalsContact CD-NE 3.35Å; E62-R65 WeakPolarHBondContact OE1-CG 3.47Å; E62-R65 IonicContact OE1-CZ 2.7Å; E62-R65 IonicContact OE1-NE 3.4Å; E62-R65 PolarHBondContact OE1-NE 3.07Å; E62-R65 IonicContact OE1-NH2 3.92Å; E62-R65 PolarHBondContact OE1-NH2 2.81Å; E62-R65 IonicContact OE2-CZ 3.91Å; E62-R65 IonicContact OE2-NE 3.35Å; E62-R65 PolarHBondContact OE2-NE 2.92Å; E62-R65 IonicContact OE2-NH2 3.7Å; E62-R65 PolarHBondContact OE2-NH2 3.03Å
63	F	96.4	Very high	88.4	Confident	93 Å²	93	69.7 Å²	69.7	41%	0.408	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-43.9	176.3	-174.7	-91.4	0	0	0	110.8	L50 V52 R61 F81 I82 L83	L50-F63 HydrophobicContact CB-CB 4.38Å; L50-F63 HydrophobicContact CD2-CB 4.19Å; L50-F63 HydrophobicContact CD2-CD1 3.82Å; L50-F63 HydrophobicContact CD2-CG 4.16Å; L50-F63 HydrophobicContact CG-CB 3.98Å; L50-F63 HydrophobicContact CG-CD1 4.48Å; L50-F63 HydrophobicContact CG-CG 4.49Å; L50-F63 WeakPolarHBondContact O-CB 3.48Å; L50-F63 PolarHBondContact O-N 3.38Å; V52-F63 HydrophobicContact CG1-CB 3.94Å; V52-F63 HydrophobicContact CG1-CD2 3.91Å; V52-F63 HydrophobicContact CG1-CG 4.11Å; V52-F63 HydrophobicContact CG2-CB 4.25Å; V52-F63 HydrophobicContact CG2-CD2 4.13Å; R61-F63 PolarHBondContact O-N 2.92Å; F63-F81 HydrophobicContact CD1-CD1 4.02Å; F63-F81 HydrophobicContact CE1-CB 4.34Å; F63-F81 HydrophobicContact CE1-CD1 4.36Å; F63-I82 VanDerWaalsContact CZ-O 3.24Å; F63-I82 WeakPolarHBondContact CZ-O 3.39Å; F63-L83 HydrophobicContact CD1-CD2 4.14Å; F63-L83 HydrophobicContact CD2-CD2 3.97Å; F63-L83 HydrophobicContact CE1-CD2 3.78Å; F63-L83 HydrophobicContact CE2-CD2 3.59Å; F63-L83 HydrophobicContact CG-CD2 4.24Å; F63-L83 HydrophobicContact CZ-CD2 3.5Å
64	G	97.1	Very high	88.3	Confident	12 Å²	12	71 Å²	71	12%	0.124	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	178.3	177.6	0	0	0	0	0	112.9	L50	L50-G64 PolarHBondContact N-O 3.22Å; L50-G64 PolarHBondContact O-N 2.83Å
65	R	98	Very high	89	Confident	57 Å²	57	69 Å²	69	22%	0.215	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	146.8	-179.9	-48	-172.2	-175.4	179.7	0.2	110.8	I47 C48 V49 E62 R79 P105	I47-R65 HydrophobicContact CD1-CB 4.01Å; I47-R65 HydrophobicContact CG1-CB 4.49Å; C48-R65 CarbonylContact O-C 3.31Å; C48-R65 WeakPolarHBondContact O-CA 3.42Å; V49-R65 HydrophobicContact CB-CG 4.45Å; V49-R65 HydrophobicContact CG1-CG 4.11Å; V49-R65 HydrophobicContact CG2-CG 3.99Å; E62-R65 VanDerWaalsContact CD-NE 3.35Å; E62-R65 WeakPolarHBondContact OE1-CG 3.47Å; E62-R65 IonicContact OE1-CZ 2.7Å; E62-R65 IonicContact OE1-NE 3.4Å; E62-R65 PolarHBondContact OE1-NE 3.07Å; E62-R65 IonicContact OE1-NH2 3.92Å; E62-R65 PolarHBondContact OE1-NH2 2.81Å; E62-R65 IonicContact OE2-CZ 3.91Å; E62-R65 IonicContact OE2-NE 3.35Å; E62-R65 PolarHBondContact OE2-NE 2.92Å; E62-R65 IonicContact OE2-NH2 3.7Å; E62-R65 PolarHBondContact OE2-NH2 3.03Å; R65-R79 VanDerWaalsContact O-CD 3.23Å; R65-R79 WeakPolarHBondContact O-CD 3.31Å; R65-R79 VanDerWaalsContact O-CZ 3.25Å; R65-R79 PolarHBondContact O-NE 3.38Å; R65-R79 PolarHBondContact O-NH1 2.83Å; R65-P105 PolarHBondContact NH1-O 3.13Å
66	T	97.1	Very high	89.9	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.043	35%	0.347	C	S	.	.			trans	-71.9	176.7	168.2	62.7	0	0	0	0	111.1	C48 F77 F81	C48-T66 HydrophobicContact CB-CG2 3.86Å; C48-T66 PolarHBondContact N-OG1 2.98Å; C48-T66 PolarHBondContact O-N 2.99Å; C48-T66 PolarHBondContact O-OG1 3.08Å; T66-F77 HydrophobicContact CG2-CB 3.86Å; T66-F77 HydrophobicContact CG2-CD1 4.06Å; T66-F77 HydrophobicContact CG2-CD2 4.27Å; T66-F77 HydrophobicContact CG2-CG 3.81Å; T66-F77 VanDerWaalsContact OG1-CD1 3.31Å; T66-F77 WeakPolarHBondContact OG1-CD1 3.34Å; T66-F77 WeakPolarHBondContact OG1-CE1 3.4Å; T66-F81 HydrophobicContact CG2-CE2 4.02Å; T66-F81 HydrophobicContact CG2-CZ 3.83Å
67	E	94.8	Very high	91	Very high	59 Å²	59	69 Å²	69	28%	0.276	33%	0.331	S	S	.	.			trans	-66.4	163.7	157.9	74.4	-73.3	178.9	0	0	111.8	I69 F77 V78 R79	E67-I69 HydrophobicContact CG-CG1 4.33Å; E67-F77 WeakPolarHBondContact O-CE1 3.48Å; E67-F77 VanDerWaalsContact OE1-CA 3.32Å; E67-F77 WeakPolarHBondContact OE1-CA 3.18Å; E67-V78 PolarHBondContact OE1-N 2.85Å; E67-R79 WeakPolarHBondContact OE2-CB 3.2Å; E67-R79 PolarHBondContact OE2-N 2.54Å
68	V	95.1	Very high	91.7	Very high	56 Å²	56	72.4 Å²	72.4	34%	0.339	35%	0.353	S	S	.	.			trans	-86.5	137.8	168.8	-175.1	0	0	0	0	108	D45 P46 I47 V100	D45-V68 HydrophobicContact CB-CG1 3.96Å; P46-V68 WeakPolarHBondContact O-CA 3.5Å; I47-V68 HydrophobicContact CB-CG2 4.25Å; I47-V68 HydrophobicContact CD1-CG2 4.16Å; I47-V68 HydrophobicContact CG1-CG2 4.49Å; V68-V100 HydrophobicContact CG1-CB 4.01Å; V68-V100 HydrophobicContact CG1-CG2 4.08Å; V68-V100 HydrophobicContact CG2-CB 4.3Å; V68-V100 HydrophobicContact CG2-CG1 4.3Å; V68-V100 HydrophobicContact CG2-CG2 3.83Å
69	I	88.5	Confident	92.2	Very high	43 Å²	43	69.9 Å²	69.9	22%	0.221	34%	0.338	C	S	.	.			trans	-115.8	117.9	173.8	-56.2	-177.8	0	0	0	108.8	D45 P46 E67 T72 P75 D76 F77	D45-I69 WeakPolarHBondContact CA-O 3.14Å; P46-I69 WeakPolarHBondContact CD-O 3.29Å; P46-I69 PolarHBondContact O-N 3.07Å; P46-I69 VanDerWaalsContact O-N 3.14Å; E67-I69 HydrophobicContact CG-CG1 4.33Å; I69-T72 HydrophobicContact CB-CG2 3.99Å; I69-T72 HydrophobicContact CG2-CG2 3.52Å; I69-P75 HydrophobicContact CB-CB 4.43Å; I69-P75 HydrophobicContact CD1-CB 3.8Å; I69-D76 WeakPolarHBondContact CD1-O 3.38Å; I69-F77 HydrophobicContact CD1-CD1 3.7Å; I69-F77 HydrophobicContact CD1-CE1 4.03Å; I69-F77 HydrophobicContact CD1-CG 4.32Å; I69-F77 HydrophobicContact CG1-CD1 4Å; I69-F77 HydrophobicContact CG1-CE1 4.06Å
70	D	89	Confident	92.4	Very high	125 Å²	125	66.9 Å²	66.9	67%	0.668	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	136.9	-173.6	-55.1	-12.3	0	0	0	112.3	D45 T72	D45-D70 VanDerWaalsContact OD1-CA 3.29Å; D45-D70 WeakPolarHBondContact OD1-CA 3.38Å; D70-T72 PolarHBondContact O-N 3.32Å
71	N	86.6	Confident	92.4	Very high	91 Å²	91	63.8 Å²	63.8	49%	0.487	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	52.7	164.3	-168.1	22.8	0	0	0	114.2	K43 S44 D45	K43-N71 WeakPolarHBondContact CB-OD1 3.25Å; K43-N71 WeakPolarHBondContact CG-OD1 3.17Å; K43-N71 PolarHBondContact N-OD1 3.45Å; S44-N71 WeakPolarHBondContact O-CA 3.49Å; S44-N71 PolarHBondContact O-N 3.16Å; D45-N71 PolarHBondContact OD1-N 3.33Å
72	T	88.3	Confident	92.4	Very high	28 Å²	28	60.2 Å²	60.2	17%	0.172	30%	0.303	C	S	.	.			trans	-144.5	139.4	180	-170.5	0	0	0	0	113.8	S44 P46 I69 D70 N74 P75	S44-T72 PolarHBondContact O-N 3.26Å; P46-T72 VanDerWaalsContact CD-O 3.29Å; P46-T72 WeakPolarHBondContact CD-O 3.1Å; P46-T72 HydrophobicContact CG-CG2 3.86Å; P46-T72 WeakPolarHBondContact CG-O 3.37Å; I69-T72 HydrophobicContact CB-CG2 3.99Å; I69-T72 HydrophobicContact CG2-CG2 3.52Å; D70-T72 PolarHBondContact O-N 3.32Å; T72-N74 PolarHBondContact OG1-N 3.04Å; T72-P75 HydrophobicContact CG2-CB 4Å
73	L	89.6	Confident	92.2	Very high	31 Å²	31	56.5 Å²	56.5	16%	0.162	29%	0.286	C	S	.	.	S	Bend	trans	-96.5	0.1	168.7	-54.2	-179	0	0	0	112.3	N34 L35 D37 K43 P75	N34-L73 PolarHBondContact N-O 2.65Å; L35-L73 HydrophobicContact CB-CB 4.35Å; L35-L73 HydrophobicContact CB-CD2 4.39Å; L35-L73 PolarHBondContact N-O 3.02Å; D37-L73 HydrophobicContact CB-CD1 4.07Å; D37-L73 HydrophobicContact CB-CD2 4.1Å; K43-L73 HydrophobicContact CB-CD2 4.15Å; K43-L73 HydrophobicContact CB-CG 4.24Å; K43-L73 HydrophobicContact CD-CG 4.34Å; K43-L73 HydrophobicContact CG-CG 4.36Å; L73-P75 VanDerWaalsContact C-CD 3.45Å
74	N	90.4	Very high	91.8	Very high	64 Å²	64	56.4 Å²	56.4	34%	0.342	29%	0.29	S	S	.	.	S	Bend	trans	-131.9	58.1	-176.4	-58.5	-72.6	0	0	0	111.2	C32 R33 N34 T72	C32-N74 CarbonylContact O-C 3.45Å; C32-N74 WeakPolarHBondContact O-CA 3.41Å; R33-N74 VanDerWaalsContact CA-OD1 3.27Å; R33-N74 WeakPolarHBondContact CA-OD1 3.45Å; R33-N74 WeakPolarHBondContact CD-OD1 3.2Å; N34-N74 PolarHBondContact N-OD1 3.34Å; T72-N74 PolarHBondContact OG1-N 3.04Å
75	P	92	Very high	91.4	Very high	1 Å²	1	56 Å²	56	1%	0.006	28%	0.284	C	S	.	.			trans	-67.2	140.2	-177.9	29.2	-36.4	0	0	0	111.7	S31 C32 R33 L35 P46 I69 T72 L73 F77	S31-P75 CarbonylContact C-O 3.58Å; S31-P75 VanDerWaalsContact CA-O 3.27Å; S31-P75 WeakPolarHBondContact CA-O 3.44Å; S31-P75 VanDerWaalsContact CB-O 3.27Å; S31-P75 WeakPolarHBondContact CB-O 3.46Å; C32-P75 HydrophobicContact CB-CG 3.78Å; C32-P75 PolarHBondContact N-O 2.81Å; R33-P75 PolarHBondContact NH1-O 2.9Å; L35-P75 HydrophobicContact CD1-CG 3.74Å; P46-P75 HydrophobicContact CB-CB 4.48Å; P46-P75 HydrophobicContact CB-CG 4.04Å; P46-P75 HydrophobicContact CG-CB 3.74Å; P46-P75 HydrophobicContact CG-CG 3.64Å; I69-P75 HydrophobicContact CB-CB 4.43Å; I69-P75 HydrophobicContact CD1-CB 3.8Å; T72-P75 HydrophobicContact CG2-CB 4Å; L73-P75 VanDerWaalsContact C-CD 3.45Å; P75-F77 HydrophobicContact CB-CD2 4.44Å; P75-F77 HydrophobicContact CB-CE1 4.06Å; P75-F77 HydrophobicContact CB-CE2 3.88Å; P75-F77 HydrophobicContact CB-CZ 3.68Å; P75-F77 HydrophobicContact CG-CE2 3.82Å; P75-F77 HydrophobicContact CG-CZ 3.79Å
76	D	89.3	Confident	90.9	Very high	91 Å²	91	54.4 Å²	54.4	49%	0.487	28%	0.279	S	S	.	.	B	Isolated β-bridge	trans	-117	103.4	164.5	-69.4	-55.1	0	0	0	107.5	S31 R33 I69	S31-D76 WeakPolarHBondContact CB-OD1 3.42Å; S31-D76 PolarHBondContact OG-OD1 3.44Å; R33-D76 IonicContact CZ-OD1 2.79Å; R33-D76 VanDerWaalsContact CZ-OD1 3.3Å; R33-D76 IonicContact CZ-OD2 3.09Å; R33-D76 IonicContact NH1-OD1 3.52Å; R33-D76 PolarHBondContact NH1-OD1 3.02Å; R33-D76 IonicContact NH1-OD2 2.74Å; R33-D76 IonicContact NH2-OD1 3.65Å; R33-D76 PolarHBondContact NH2-OD1 2.86Å; R33-D76 IonicContact NH2-OD2 2.66Å; R33-D76 PolarHBondContact NH2-OD2 2.56Å; I69-D76 WeakPolarHBondContact CD1-O 3.38Å
77	F	91.1	Very high	90.4	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.018	28%	0.278	C	S	.	.			trans	-78.2	132	-173.5	-59.3	-77.8	0	0	0	111.7	V30 P46 C48 T66 E67 I69 P75 K80	V30-F77 HydrophobicContact CB-CD2 4.06Å; V30-F77 HydrophobicContact CG1-CD2 4.02Å; V30-F77 HydrophobicContact CG1-CE2 4.3Å; V30-F77 WeakPolarHBondContact O-CB 3.32Å; V30-F77 WeakPolarHBondContact O-CD2 3.44Å; V30-F77 PolarHBondContact O-N 3.47Å; V30-F77 VanDerWaalsContact O-N 3.12Å; P46-F77 HydrophobicContact CB-CZ 4.26Å; P46-F77 WeakPolarHBondContact O-CE1 3.49Å; C48-F77 HydrophobicContact CB-CD2 4.4Å; C48-F77 HydrophobicContact CB-CE2 3.94Å; C48-F77 HydrophobicContact CB-CZ 4.17Å; T66-F77 HydrophobicContact CG2-CB 3.86Å; T66-F77 HydrophobicContact CG2-CD1 4.06Å; T66-F77 HydrophobicContact CG2-CD2 4.27Å; T66-F77 HydrophobicContact CG2-CG 3.81Å; T66-F77 VanDerWaalsContact OG1-CD1 3.31Å; T66-F77 WeakPolarHBondContact OG1-CD1 3.34Å; T66-F77 WeakPolarHBondContact OG1-CE1 3.4Å; E67-F77 WeakPolarHBondContact O-CE1 3.48Å; E67-F77 VanDerWaalsContact OE1-CA 3.32Å; E67-F77 WeakPolarHBondContact OE1-CA 3.18Å; I69-F77 HydrophobicContact CD1-CD1 3.7Å; I69-F77 HydrophobicContact CD1-CE1 4.03Å; I69-F77 HydrophobicContact CD1-CG 4.32Å; I69-F77 HydrophobicContact CG1-CD1 4Å; I69-F77 HydrophobicContact CG1-CE1 4.06Å; P75-F77 HydrophobicContact CB-CD2 4.44Å; P75-F77 HydrophobicContact CB-CE1 4.06Å; P75-F77 HydrophobicContact CB-CE2 3.88Å; P75-F77 HydrophobicContact CB-CZ 3.68Å; P75-F77 HydrophobicContact CG-CE2 3.82Å; P75-F77 HydrophobicContact CG-CZ 3.79Å; F77-K80 PolarHBondContact O-NZ 2.89Å
78	V	88.8	Confident	90	Very high	116 Å²	116	52.5 Å²	52.5	70%	0.703	27%	0.27	S	S	*	.	S	Bend	trans	-74.1	-45.9	175.4	-179.5	0	0	0	0	109.9	E67 K80	E67-V78 PolarHBondContact OE1-N 2.85Å; V78-K80 WeakPolarHBondContact O-CD 3.28Å; V78-K80 VanDerWaalsContact O-CE 3.25Å; V78-K80 WeakPolarHBondContact O-CE 3.43Å; V78-K80 WeakPolarHBondContact O-CG 3.22Å; V78-K80 PolarHBondContact O-N 2.83Å
79	R	89.6	Confident	89.6	Confident	140 Å²	140	52.2 Å²	52.2	53%	0.528	27%	0.265	S	S	.	.			trans	-67.2	131.6	-179.7	-175.7	167.3	-179.5	-176.9	8.2	110.9	R65 E67	R65-R79 VanDerWaalsContact O-CD 3.23Å; R65-R79 WeakPolarHBondContact O-CD 3.31Å; R65-R79 VanDerWaalsContact O-CZ 3.25Å; R65-R79 PolarHBondContact O-NE 3.38Å; R65-R79 PolarHBondContact O-NH1 2.83Å; E67-R79 WeakPolarHBondContact OE2-CB 3.2Å; E67-R79 PolarHBondContact OE2-N 2.54Å
80	K	92.3	Very high	89.5	Confident	68 Å²	68	54.1 Å²	54.1	30%	0.296	27%	0.269	S	S	.	.			trans	-108.2	154.6	-179.6	-46.4	-57.7	-174.1	-175.4	0	111.3	E27 V28 S29 F77 V78	E27-K80 HydrophobicContact CG-CB 3.34Å; E27-K80 HydrophobicContact CG-CG 3.8Å; V28-K80 WeakPolarHBondContact O-CA 3.49Å; S29-K80 VanDerWaalsContact CB-NZ 3.32Å; S29-K80 WeakPolarHBondContact OG-CD 3.39Å; S29-K80 WeakPolarHBondContact OG-CE 3.35Å; S29-K80 PolarHBondContact OG-NZ 2.93Å; F77-K80 PolarHBondContact O-NZ 2.89Å; V78-K80 WeakPolarHBondContact O-CD 3.28Å; V78-K80 VanDerWaalsContact O-CE 3.25Å; V78-K80 WeakPolarHBondContact O-CE 3.43Å; V78-K80 WeakPolarHBondContact O-CG 3.22Å; V78-K80 PolarHBondContact O-N 2.83Å
81	F	95.8	Very high	89.6	Confident	5 Å²	5	49.5 Å²	49.5	2%	0.022	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	123.2	173.2	-59.1	-67.1	0	0	0	109.5	E27 V28 V30 L50 F63 T66 F95	E27-F81 CarbonylContact C-O 3.57Å; E27-F81 WeakPolarHBondContact CA-O 3.14Å; V28-F81 HydrophobicContact CB-CB 4.4Å; V28-F81 PolarHBondContact N-O 2.68Å; V28-F81 PolarHBondContact O-N 3.29Å; V30-F81 HydrophobicContact CG2-CD2 4.08Å; V30-F81 HydrophobicContact CG2-CE2 3.84Å; L50-F81 HydrophobicContact CB-CD1 4.15Å; L50-F81 HydrophobicContact CB-CD2 4.15Å; L50-F81 HydrophobicContact CB-CE1 3.89Å; L50-F81 HydrophobicContact CB-CE2 3.88Å; L50-F81 HydrophobicContact CB-CG 4.27Å; L50-F81 HydrophobicContact CB-CZ 3.74Å; L50-F81 HydrophobicContact CD2-CB 3.74Å; L50-F81 HydrophobicContact CD2-CD1 3.94Å; L50-F81 HydrophobicContact CD2-CD2 3.85Å; L50-F81 HydrophobicContact CD2-CE2 4.44Å; L50-F81 HydrophobicContact CD2-CG 3.56Å; F63-F81 HydrophobicContact CD1-CD1 4.02Å; F63-F81 HydrophobicContact CE1-CB 4.34Å; F63-F81 HydrophobicContact CE1-CD1 4.36Å; T66-F81 HydrophobicContact CG2-CE2 4.02Å; T66-F81 HydrophobicContact CG2-CZ 3.83Å; F81-F95 HydrophobicContact CD2-CE1 4.4Å; F81-F95 HydrophobicContact CE2-CE1 4.43Å
82	I	93.9	Very high	90	Very high	84 Å²	84	46.9 Å²	46.9	43%	0.431	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	113.3	177.7	-60.2	-178.1	0	0	0	108.2	V26 F63 L153	V26-I82 WeakPolarHBondContact O-CA 2.77Å; F63-I82 VanDerWaalsContact CZ-O 3.24Å; F63-I82 WeakPolarHBondContact CZ-O 3.39Å; I82-L153 HydrophobicContact CB-CD1 4.12Å; I82-L153 HydrophobicContact CD1-CD1 3.98Å; I82-L153 HydrophobicContact CG1-CD1 3.81Å; I82-L153 HydrophobicContact CG2-CD1 3.46Å; I82-L153 VanDerWaalsContact CG2-CD1 3.46Å
83	L	92.5	Very high	90.4	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.063	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.4	-178	-60.3	170	0	0	0	110.3	R25 V26 V28 L50 V52 F63 L93 L120	R25-L83 CarbonylContact C-O 3.57Å; R25-L83 WeakPolarHBondContact CA-O 3.31Å; V26-L83 PolarHBondContact N-O 3.37Å; V26-L83 PolarHBondContact O-N 3.14Å; V28-L83 HydrophobicContact CG2-CD1 4.06Å; L50-L83 HydrophobicContact CD2-CD1 4.36Å; L50-L83 HydrophobicContact CD2-CD2 4.3Å; V52-L83 HydrophobicContact CG1-CD2 4.35Å; F63-L83 HydrophobicContact CD1-CD2 4.14Å; F63-L83 HydrophobicContact CD2-CD2 3.97Å; F63-L83 HydrophobicContact CE1-CD2 3.78Å; F63-L83 HydrophobicContact CE2-CD2 3.59Å; F63-L83 HydrophobicContact CG-CD2 4.24Å; F63-L83 HydrophobicContact CZ-CD2 3.5Å; L83-L93 HydrophobicContact CD1-CD1 4.13Å; L83-L93 HydrophobicContact CD1-CD2 4Å; L83-L120 HydrophobicContact CB-CD2 3.97Å; L83-L120 HydrophobicContact CD1-CD1 4.08Å; L83-L120 HydrophobicContact CD1-CD2 4.21Å
84	D	89.1	Confident	90.8	Very high	90 Å²	90	46.1 Å²	46.1	48%	0.481	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.3	163.8	-67	-37.2	0	0	0	108.3	P22 R25 F86	P22-D84 HydrophobicContact CB-CB 3.94Å; P22-D84 HydrophobicContact CG-CB 4.25Å; R25-D84 WeakPolarHBondContact CD-OD1 3.15Å; R25-D84 WeakPolarHBondContact CG-OD1 3.2Å; D84-F86 HydrophobicContact CB-CE2 3.89Å
85	Y	88.4	Confident	91.2	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.5	-178.2	169.6	-98.5	0	0	0	111.6	A23 T24 V26 F87 E91 L120 V124 L299 Y354	A23-Y85 PolarHBondContact N-O 2.85Å; T24-Y85 HydrophobicContact CG2-CD1 3.77Å; T24-Y85 HydrophobicContact CG2-CG 4.47Å; T24-Y85 PolarHBondContact N-O 3.17Å; T24-Y85 PolarHBondContact O-N 3.1Å; V26-Y85 HydrophobicContact CG2-CG 4.16Å; Y85-F87 HydrophobicContact CE1-CB 4.39Å; Y85-E91 VanDerWaalsContact CA-OE1 3.31Å; Y85-E91 WeakPolarHBondContact CA-OE1 3.48Å; Y85-L120 HydrophobicContact CD2-CD2 3.93Å; Y85-L120 HydrophobicContact CD2-CG 4.02Å; Y85-L120 HydrophobicContact CG-CD2 4.47Å; Y85-V124 HydrophobicContact CD2-CG2 4.44Å; Y85-V124 HydrophobicContact CE2-CG1 4.49Å; Y85-V124 HydrophobicContact CE2-CG2 3.62Å; Y85-L299 HydrophobicContact CD1-CD1 4.05Å; Y85-L299 HydrophobicContact CE1-CD1 3.93Å; Y85-L299 HydrophobicContact CE1-CD2 3.86Å; Y85-L299 HydrophobicContact CE1-CG 4.11Å; Y85-Y354 WeakPolarHBondContact CE2-OH 3.35Å; Y85-Y354 VanDerWaalsContact OH-CE1 3.28Å; Y85-Y354 WeakPolarHBondContact OH-CE1 3.37Å; Y85-Y354 PolarHBondContact OH-OH 3.41Å
86	F	87.4	Confident	91.5	Very high	25 Å²	25	43.2 Å²	43.2	11%	0.11	21%	0.206	C	C	.	.			trans	-128.4	119.1	177	-60.2	-93.7	0	0	0	108.9	A20 P22 D84 E88 E89 E91	A20-F86 HydrophobicContact CB-CE1 3.94Å; A20-F86 WeakPolarHBondContact O-CE1 3.14Å; P22-F86 HydrophobicContact CB-CE1 3.9Å; P22-F86 HydrophobicContact CB-CE2 3.96Å; P22-F86 HydrophobicContact CB-CZ 3.56Å; P22-F86 HydrophobicContact CG-CZ 4.27Å; D84-F86 HydrophobicContact CB-CE2 3.89Å; F86-E88 PolarHBondContact O-N 3.46Å; F86-E89 HydrophobicContact CB-CB 3.87Å; F86-E89 HydrophobicContact CB-CG 3.73Å; F86-E89 HydrophobicContact CG-CG 4.28Å; F86-E89 PolarHBondContact O-N 3.02Å; F86-E91 PolarHBondContact N-OE1 3.2Å
87	F	86	Confident	91.9	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.013	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-34.1	-179.7	169.1	-101.8	0	0	0	111.8	Y85 F298 I350 Y354 L528 I531 P532	Y85-F87 HydrophobicContact CE1-CB 4.39Å; F87-F298 HydrophobicContact CD2-CD1 4.43Å; F87-F298 AromaticContact CD2-CE1 3.61Å; F87-F298 HydrophobicContact CD2-CE1 3.61Å; F87-F298 HydrophobicContact CD2-CZ 4.13Å; F87-F298 AromaticContact CE2-CE1 3.75Å; F87-F298 HydrophobicContact CE2-CE1 3.75Å; F87-F298 AromaticContact CE2-CZ 3.8Å; F87-F298 HydrophobicContact CE2-CZ 3.8Å; F87-F298 HydrophobicContact CG-CE1 4.45Å; F87-F298 HydrophobicContact CZ-CZ 4.44Å; F87-I350 WeakPolarHBondContact O-CG2 3.38Å; F87-Y354 HydrophobicContact CD2-CD1 4.47Å; F87-Y354 HydrophobicContact CD2-CD2 4.29Å; F87-Y354 AromaticContact CD2-CE1 3.97Å; F87-Y354 HydrophobicContact CD2-CE1 3.97Å; F87-Y354 AromaticContact CD2-CE2 3.76Å; F87-Y354 HydrophobicContact CD2-CE2 3.76Å; F87-Y354 AromaticContact CD2-CZ 3.59Å; F87-Y354 HydrophobicContact CE2-CD1 4.18Å; F87-Y354 AromaticContact CE2-CD2 3.66Å; F87-Y354 HydrophobicContact CE2-CD2 3.66Å; F87-Y354 HydrophobicContact CE2-CE1 4.12Å; F87-Y354 AromaticContact CE2-CE2 3.58Å; F87-Y354 HydrophobicContact CE2-CE2 3.58Å; F87-Y354 AromaticContact CE2-CG 3.97Å; F87-Y354 HydrophobicContact CE2-CG 3.97Å; F87-Y354 AromaticContact CE2-CZ 3.83Å; F87-Y354 HydrophobicContact CZ-CD2 4.49Å; F87-L528 HydrophobicContact CD1-CB 4.16Å; F87-L528 WeakPolarHBondContact CD1-O 3.27Å; F87-L528 HydrophobicContact CE1-CB 3.92Å; F87-L528 HydrophobicContact CE1-CD2 4.28Å; F87-I531 HydrophobicContact CE1-CB 3.86Å; F87-I531 HydrophobicContact CE1-CG1 4.5Å; F87-I531 HydrophobicContact CE1-CG2 4.09Å; F87-I531 HydrophobicContact CZ-CB 4.42Å; F87-I531 HydrophobicContact CZ-CG2 4.14Å; F87-P532 HydrophobicContact CB-CG 4.03Å; F87-P532 HydrophobicContact CD1-CG 3.67Å; F87-P532 HydrophobicContact CE1-CG 4.31Å; F87-P532 HydrophobicContact CG-CG 3.83Å
88	E	86.7	Confident	92.1	Very high	23 Å²	23	40.1 Å²	40.1	11%	0.107	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1.6	-174	73.8	-79.5	-171.1	0	0	114.1	F86 I350 K525 L528	F86-E88 PolarHBondContact O-N 3.46Å; E88-I350 WeakPolarHBondContact O-CD1 3.45Å; E88-K525 HydrophobicContact CG-CB 4.17Å; E88-K525 HydrophobicContact CG-CG 3.66Å; E88-L528 HydrophobicContact CB-CB 3.7Å
89	E	86.8	Confident	92.4	Very high	50 Å²	50	34.7 Å²	34.7	23%	0.234	16%	0.155	C	C	.	.	S	Bend	trans	-116.6	152.5	178.2	-57.6	-167	-178.8	0	0	112.1	F86 K525	F86-E89 HydrophobicContact CB-CB 3.87Å; F86-E89 HydrophobicContact CB-CG 3.73Å; F86-E89 HydrophobicContact CG-CG 4.28Å; F86-E89 PolarHBondContact O-N 3.02Å; E89-K525 IonicContact OE1-NZ 2.75Å; E89-K525 PolarHBondContact OE1-NZ 2.85Å
90	R	86.8	Confident	92.5	Very high	82 Å²	82	29.1 Å²	29.1	31%	0.309	14%	0.136	S	C	.	.			trans	-96.7	93.4	172.4	-173.6	179.6	176.4	155	13	109.4	N92 T119 E349 I350	R90-N92 PolarHBondContact NE-OD1 2.93Å; R90-N92 PolarHBondContact O-N 2.87Å; R90-T119 HydrophobicContact CG-CG2 3.85Å; R90-E349 IonicContact CZ-OE2 3.82Å; R90-E349 IonicContact NH1-OE1 2.8Å; R90-E349 PolarHBondContact NH1-OE1 2.98Å; R90-E349 IonicContact NH1-OE2 3.35Å; R90-E349 PolarHBondContact NH1-OE2 3.18Å; R90-I350 HydrophobicContact CB-CG1 3.99Å
91	E	90.9	Very high	92.2	Very high	28 Å²	28	29.7 Å²	29.7	13%	0.131	14%	0.143	C	C	.	.			trans	-87.7	98.1	179.2	-48.6	112.7	131.4	0	0	111.4	Y85 F86 T119 L120	Y85-E91 VanDerWaalsContact CA-OE1 3.31Å; Y85-E91 WeakPolarHBondContact CA-OE1 3.48Å; F86-E91 PolarHBondContact N-OE1 3.2Å; E91-T119 CarbonylContact O-C 3.5Å; E91-T119 WeakPolarHBondContact O-CA 3.19Å; E91-L120 HydrophobicContact CB-CB 4.01Å; E91-L120 PolarHBondContact O-N 3.19Å
92	N	94.3	Very high	91.9	Very high	37 Å²	37	31.8 Å²	31.8	20%	0.198	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129	-178.6	-68.8	-36	0	0	0	111.9	Q53 W60 R90	Q53-N92 HydrophobicContact CB-CB 4.11Å; Q53-N92 PolarHBondContact N-O 3.2Å; Q53-N92 VanDerWaalsContact N-O 3.1Å; Q53-N92 PolarHBondContact OE1-ND2 2.85Å; W60-N92 HydrophobicContact CH2-CB 3.91Å; W60-N92 HydrophobicContact CZ3-CB 4.37Å; R90-N92 PolarHBondContact NE-OD1 2.93Å; R90-N92 PolarHBondContact O-N 2.87Å
93	L	97.3	Very high	91.5	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.1	179.2	-52.3	-178.6	0	0	0	110.7	L50 V52 L83 F95 C118 L120 I123	L50-L93 HydrophobicContact CD1-CB 4.1Å; L50-L93 HydrophobicContact CD1-CD2 4.27Å; V52-L93 HydrophobicContact CG1-CD2 3.85Å; L83-L93 HydrophobicContact CD1-CD1 4.13Å; L83-L93 HydrophobicContact CD1-CD2 4Å; L93-F95 HydrophobicContact CB-CD2 4.44Å; L93-F95 HydrophobicContact CB-CE2 3.75Å; L93-F95 HydrophobicContact CB-CZ 4.42Å; L93-F95 HydrophobicContact CD1-CE2 4.08Å; L93-F95 HydrophobicContact CD1-CZ 4.13Å; L93-C118 WeakPolarHBondContact CA-O 3.41Å; L93-C118 PolarHBondContact N-O 2.83Å; L93-C118 PolarHBondContact O-N 3.1Å; L93-C118 VanDerWaalsContact O-N 3.1Å; L93-L120 HydrophobicContact CD1-CB 4.1Å; L93-L120 HydrophobicContact CD1-CD1 4.32Å; L93-I123 HydrophobicContact CD1-CD1 3.75Å
94	R	97.7	Very high	91.4	Very high	40 Å²	40	38.9 Å²	38.9	15%	0.151	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	124.2	169.3	-174.2	-172.4	86.7	-155.6	4.7	109.6	Y51 W60 D96 V116 F117	Y51-R94 PolarHBondContact N-O 2.87Å; Y51-R94 PolarHBondContact O-N 3.4Å; W60-R94 HydrophobicContact CD2-CB 4.2Å; W60-R94 HydrophobicContact CE3-CB 3.73Å; W60-R94 HydrophobicContact CH2-CB 3.73Å; W60-R94 HydrophobicContact CZ2-CB 4.2Å; W60-R94 HydrophobicContact CZ3-CB 3.48Å; W60-R94 VanDerWaalsContact CZ3-CB 3.48Å; R94-D96 WeakPolarHBondContact CD-OD1 3.39Å; R94-D96 WeakPolarHBondContact CG-OD1 3.38Å; R94-D96 IonicContact CZ-OD1 3.59Å; R94-D96 IonicContact CZ-OD2 2.8Å; R94-D96 IonicContact NE-OD1 3.9Å; R94-D96 PolarHBondContact NE-OD1 2.87Å; R94-D96 IonicContact NE-OD2 2.63Å; R94-D96 PolarHBondContact NE-OD2 2.77Å; R94-D96 VanDerWaalsContact NE-OD2 3.14Å; R94-D96 IonicContact NH2-OD1 2.74Å; R94-D96 IonicContact NH2-OD2 3.47Å; R94-D96 PolarHBondContact NH2-OD2 2.92Å; R94-V116 CarbonylContact C-O 3.59Å; R94-V116 VanDerWaalsContact CA-O 3.32Å; R94-V116 WeakPolarHBondContact CA-O 3.21Å; R94-F117 HydrophobicContact CB-CD1 3.96Å; R94-F117 HydrophobicContact CB-CE1 4Å; R94-F117 VanDerWaalsContact CD-CZ 3.43Å; R94-F117 HydrophobicContact CG-CD1 3.79Å; R94-F117 HydrophobicContact CG-CE1 3.52Å; R94-F117 HydrophobicContact CG-CE2 4.42Å; R94-F117 HydrophobicContact CG-CG 4.37Å; R94-F117 HydrophobicContact CG-CZ 3.86Å
95	F	98.4	Very high	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	115.8	177.7	-63.1	-97.6	0	0	0	108.5	V28 V30 V49 L50 F81 L93 Q115 V116 I123 I146 L148	V28-F95 HydrophobicContact CG1-CE1 4.47Å; V28-F95 HydrophobicContact CG1-CZ 4.26Å; V30-F95 HydrophobicContact CG2-CD1 4.09Å; V30-F95 HydrophobicContact CG2-CE1 3.78Å; V49-F95 WeakPolarHBondContact O-CA 3.46Å; L50-F95 HydrophobicContact CB-CE1 4.5Å; L50-F95 HydrophobicContact CD1-CD1 4.03Å; L50-F95 HydrophobicContact CD1-CD2 4.32Å; L50-F95 HydrophobicContact CD1-CE1 3.71Å; L50-F95 HydrophobicContact CD1-CE2 3.99Å; L50-F95 HydrophobicContact CD1-CG 4.33Å; L50-F95 HydrophobicContact CD1-CZ 3.69Å; L50-F95 HydrophobicContact CG-CE1 4.47Å; F81-F95 HydrophobicContact CD2-CE1 4.4Å; F81-F95 HydrophobicContact CE2-CE1 4.43Å; L93-F95 HydrophobicContact CB-CD2 4.44Å; L93-F95 HydrophobicContact CB-CE2 3.75Å; L93-F95 HydrophobicContact CB-CZ 4.42Å; L93-F95 HydrophobicContact CD1-CE2 4.08Å; L93-F95 HydrophobicContact CD1-CZ 4.13Å; F95-Q115 CarbonylContact O-C 3.54Å; F95-Q115 WeakPolarHBondContact O-CA 3.48Å; F95-V116 PolarHBondContact N-O 3.16Å; F95-V116 PolarHBondContact O-N 2.96Å; F95-I123 HydrophobicContact CZ-CD1 4.43Å; F95-I146 HydrophobicContact CB-CD1 3.75Å; F95-I146 HydrophobicContact CD1-CD1 4.26Å; F95-I146 HydrophobicContact CG-CD1 4Å; F95-L148 HydrophobicContact CD1-CD2 4.08Å; F95-L148 HydrophobicContact CD2-CD1 4Å; F95-L148 HydrophobicContact CD2-CD2 4.49Å; F95-L148 HydrophobicContact CE1-CD2 3.72Å; F95-L148 HydrophobicContact CE2-CD1 3.58Å; F95-L148 HydrophobicContact CE2-CD2 4.19Å; F95-L148 HydrophobicContact CG-CD2 4.44Å; F95-L148 HydrophobicContact CZ-CD1 3.91Å; F95-L148 HydrophobicContact CZ-CD2 3.78Å; F95-L148 HydrophobicContact CZ-CG 4.5Å
96	D	98.2	Very high	91.5	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.8	175.7	-62.4	-7.2	0	0	0	109.2	V49 Y51 R94 Y98 F112 Q115	V49-D96 HydrophobicContact CB-CB 4.49Å; V49-D96 PolarHBondContact N-O 3.12Å; V49-D96 PolarHBondContact O-N 3.4Å; Y51-D96 HydrophobicContact CE2-CB 4.04Å; Y51-D96 WeakPolarHBondContact CE2-OD2 3.29Å; R94-D96 WeakPolarHBondContact CD-OD1 3.39Å; R94-D96 WeakPolarHBondContact CG-OD1 3.38Å; R94-D96 IonicContact CZ-OD1 3.59Å; R94-D96 IonicContact CZ-OD2 2.8Å; R94-D96 IonicContact NE-OD1 3.9Å; R94-D96 PolarHBondContact NE-OD1 2.87Å; R94-D96 IonicContact NE-OD2 2.63Å; R94-D96 PolarHBondContact NE-OD2 2.77Å; R94-D96 VanDerWaalsContact NE-OD2 3.14Å; R94-D96 IonicContact NH2-OD1 2.74Å; R94-D96 IonicContact NH2-OD2 3.47Å; R94-D96 PolarHBondContact NH2-OD2 2.92Å; D96-Y98 HydrophobicContact CB-CD2 4.41Å; D96-Y98 HydrophobicContact CB-CE2 3.62Å; D96-F112 HydrophobicContact CB-CE2 4.24Å; D96-Q115 WeakPolarHBondContact OD1-CB 3.45Å
97	L	97.4	Very high	91.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	134.6	-178.9	-66.8	-57.3	0	0	0	109.2	I47 C48 L113 G114 I135 I146	I47-L97 WeakPolarHBondContact O-CA 3.37Å; C48-L97 HydrophobicContact CB-CD1 3.63Å; L97-L113 HydrophobicContact CB-CB 3.95Å; L97-L113 WeakPolarHBondContact O-CB 3.28Å; L97-L113 PolarHBondContact O-N 2.87Å; L97-G114 PolarHBondContact N-O 2.6Å; L97-G114 PolarHBondContact O-N 2.82Å; L97-I135 HydrophobicContact CG-CD1 4.49Å; L97-I146 HydrophobicContact CD2-CD1 4.35Å
98	Y	96.3	Very high	92	Very high	30 Å²	30	47.6 Å²	47.6	12%	0.118	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.9	178.9	-64.3	-94.5	0	0	0	111.1	P46 I47 V49 D96 L107 H110 D111 F112	P46-Y98 CarbonylContact C-O 3.6Å; P46-Y98 VanDerWaalsContact CA-O 3.28Å; P46-Y98 WeakPolarHBondContact CA-O 3.46Å; I47-Y98 PolarHBondContact N-O 3.21Å; I47-Y98 PolarHBondContact O-N 2.97Å; V49-Y98 HydrophobicContact CG2-CD2 4.08Å; V49-Y98 HydrophobicContact CG2-CE2 4.16Å; D96-Y98 HydrophobicContact CB-CD2 4.41Å; D96-Y98 HydrophobicContact CB-CE2 3.62Å; Y98-L107 HydrophobicContact CD2-CD2 4.01Å; Y98-L107 HydrophobicContact CE1-CB 4.19Å; Y98-L107 HydrophobicContact CE2-CD1 4.01Å; Y98-L107 HydrophobicContact CE2-CD2 4.09Å; Y98-L107 HydrophobicContact CE2-CG 4.43Å; Y98-L107 HydrophobicContact CG-CD2 4.34Å; Y98-H110 HydrophobicContact CD1-CB 4.17Å; Y98-D111 CarbonylContact C-O 3.36Å; Y98-D111 VanDerWaalsContact CA-O 3.27Å; Y98-D111 WeakPolarHBondContact CA-O 3.39Å; Y98-F112 HydrophobicContact CD1-CB 4.31Å; Y98-F112 HydrophobicContact CD1-CD2 4.22Å; Y98-F112 HydrophobicContact CE1-CB 4.17Å; Y98-F112 AromaticContact CE1-CD2 3.75Å; Y98-F112 HydrophobicContact CE1-CD2 3.75Å; Y98-F112 HydrophobicContact CE1-CG 4.44Å; Y98-F112 HydrophobicContact CE2-CD2 4.43Å; Y98-F112 AromaticContact CZ-CD2 3.87Å
99	D	94.3	Very high	92.2	Very high	1 Å²	1	52 Å²	52	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.3	169	-164.6	-3.5	0	0	0	109.5	S44 D45 D101 H110 D111 L113	S44-D99 VanDerWaalsContact CA-OD1 3.29Å; S44-D99 WeakPolarHBondContact CA-OD1 3.44Å; S44-D99 VanDerWaalsContact CA-OD2 3.27Å; S44-D99 WeakPolarHBondContact CA-OD2 3.49Å; S44-D99 WeakPolarHBondContact CB-OD1 3.06Å; S44-D99 WeakPolarHBondContact CB-OD2 3.29Å; S44-D99 PolarHBondContact OG-OD2 3.26Å; D45-D99 PolarHBondContact N-OD1 3.3Å; D99-D101 PolarHBondContact O-N 3.41Å; D99-H110 WeakPolarHBondContact O-CA 3.3Å; D99-H110 VanDerWaalsContact O-CB 3.25Å; D99-H110 WeakPolarHBondContact O-CB 3.48Å; D99-D111 HydrophobicContact CB-CB 4Å; D99-D111 PolarHBondContact N-O 2.89Å; D99-D111 PolarHBondContact O-N 2.78Å; D99-D111 VanDerWaalsContact O-N 3.15Å; D99-L113 HydrophobicContact CB-CD1 4.06Å; D99-L113 HydrophobicContact CB-CD2 3.98Å; D99-L113 HydrophobicContact CB-CG 4.03Å
100	V	92.3	Very high	92.5	Very high	24 Å²	24	50.5 Å²	50.5	15%	0.145	26%	0.262	C	S	.	.			trans	-91.6	91.8	-167.8	-178	0	0	0	0	111.9	D45 I47 V68 S102	D45-V100 HydrophobicContact CB-CB 4.45Å; D45-V100 PolarHBondContact O-N 3Å; I47-V100 HydrophobicContact CB-CG2 3.92Å; I47-V100 HydrophobicContact CG2-CG2 3.45Å; I47-V100 VanDerWaalsContact CG2-CG2 3.45Å; V68-V100 HydrophobicContact CG1-CB 4.01Å; V68-V100 HydrophobicContact CG1-CG2 4.08Å; V68-V100 HydrophobicContact CG2-CB 4.3Å; V68-V100 HydrophobicContact CG2-CG1 4.3Å; V68-V100 HydrophobicContact CG2-CG2 3.83Å; V100-S102 VanDerWaalsContact C-N 3.3Å; V100-S102 VanDerWaalsContact CG1-O 3.26Å; V100-S102 WeakPolarHBondContact CG1-O 3.25Å; V100-S102 PolarHBondContact O-N 2.94Å
101	D	86.1	Confident	92.8	Very high	80 Å²	80	49.9 Å²	49.9	43%	0.428	27%	0.265	S	S	.	.			trans	-75.1	-11.7	-180	-52.7	-66.3	0	0	0	115.5	D99 H110 D111	D99-D101 PolarHBondContact O-N 3.41Å; D101-H110 PolarHBondContact N-ND1 2.81Å; D101-H110 WeakPolarHBondContact OD2-CA 3.31Å; D101-D111 PolarHBondContact OD2-N 3.14Å
102	S	88.8	Confident	93	Very high	48 Å²	48	51.3 Å²	51.3	34%	0.336	27%	0.271	S	S	.	.	S	Bend	trans	-155.7	167.3	-173.1	77.1	0	0	0	0	113.7	V100 S104 H110	V100-S102 VanDerWaalsContact C-N 3.3Å; V100-S102 VanDerWaalsContact CG1-O 3.26Å; V100-S102 WeakPolarHBondContact CG1-O 3.25Å; V100-S102 PolarHBondContact O-N 2.94Å; S102-S104 PolarHBondContact O-N 3.04Å; S102-S104 WeakPolarHBondContact OG-CB 3.15Å; S102-S104 PolarHBondContact OG-N 3Å; S102-H110 PolarHBondContact O-CE1 3.36Å; S102-H110 VanDerWaalsContact O-CE1 3.32Å
103	K	86.8	Confident	93	Very high	217 Å²	217	49.6 Å²	49.6	94%	0.943	26%	0.261	S	S	*	.	S	Bend	trans	-74.8	1.6	175.2	-61	-175.4	178.3	-177.8	0	114.3
104	S	90.6	Very high	92.9	Very high	28 Å²	28	49.4 Å²	49.4	20%	0.196	26%	0.261	C	S	.	.			trans	-75.4	134.1	-176.5	-173.1	0	0	0	0	110.1	S102 N106 K109 H110	S102-S104 PolarHBondContact O-N 3.04Å; S102-S104 WeakPolarHBondContact OG-CB 3.15Å; S102-S104 PolarHBondContact OG-N 3Å; S104-N106 PolarHBondContact O-N 2.73Å; S104-K109 WeakPolarHBondContact OG-CD 3.19Å; S104-K109 PolarHBondContact OG-NZ 2.91Å; S104-K109 VanDerWaalsContact OG-NZ 3.09Å; S104-H110 PolarHBondContact O-CE1 3.06Å; S104-H110 PolarHBondContact O-NE2 3.29Å
105	P	87.3	Confident	92.9	Very high	108 Å²	108	49.8 Å²	49.8	70%	0.701	26%	0.264	S	S	*	.	S	Bend	trans	-75.2	6.5	176.1	31.9	-37	0	0	0	113.9	R65	R65-P105 PolarHBondContact NH1-O 3.13Å
106	N	91.8	Very high	92.9	Very high	75 Å²	75	50 Å²	50	40%	0.401	27%	0.265	S	S	.	.			trans	-94.3	112.9	-173.2	178.5	4.9	0	0	0	109.3	S104 S108 K109	S104-N106 PolarHBondContact O-N 2.73Å; N106-S108 PolarHBondContact ND2-OG 2.78Å; N106-S108 PolarHBondContact O-N 3.47Å; N106-S108 VanDerWaalsContact O-N 3.12Å; N106-S108 PolarHBondContact OD1-N 2.79Å; N106-S108 PolarHBondContact OD1-OG 3.01Å; N106-K109 HydrophobicContact CB-CG 4.46Å; N106-K109 PolarHBondContact O-N 2.97Å
107	L	91.8	Very high	92.8	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.11	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.2	-23.6	-178.1	-61.4	177.2	0	0	0	113.6	V49 Y51 Y98 K109 H110	V49-L107 HydrophobicContact CG1-CD1 4.4Å; V49-L107 HydrophobicContact CG2-CD1 4.11Å; V49-L107 HydrophobicContact CG2-CD2 3.95Å; Y51-L107 VanDerWaalsContact OH-CD1 3.29Å; Y51-L107 WeakPolarHBondContact OH-CD1 3.4Å; Y98-L107 HydrophobicContact CD2-CD2 4.01Å; Y98-L107 HydrophobicContact CE1-CB 4.19Å; Y98-L107 HydrophobicContact CE2-CD1 4.01Å; Y98-L107 HydrophobicContact CE2-CD2 4.09Å; Y98-L107 HydrophobicContact CE2-CG 4.43Å; Y98-L107 HydrophobicContact CG-CD2 4.34Å; L107-K109 PolarHBondContact O-N 2.91Å; L107-K109 VanDerWaalsContact O-N 3.15Å; L107-H110 PolarHBondContact O-N 3.45Å
108	S	91.5	Very high	92.8	Very high	100 Å²	100	54.3 Å²	54.3	70%	0.699	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-69.8	-7	176.9	83.3	0	0	0	0	113.9	N106	N106-S108 PolarHBondContact ND2-OG 2.78Å; N106-S108 PolarHBondContact O-N 3.47Å; N106-S108 VanDerWaalsContact O-N 3.12Å; N106-S108 PolarHBondContact OD1-N 2.79Å; N106-S108 PolarHBondContact OD1-OG 3.01Å
109	K	91.4	Very high	92.7	Very high	116 Å²	116	53.1 Å²	53.1	50%	0.504	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-106.7	11.8	178.3	-60.3	-174.3	-174.6	169.1	0	112.8	S104 N106 L107	S104-K109 WeakPolarHBondContact OG-CD 3.19Å; S104-K109 PolarHBondContact OG-NZ 2.91Å; S104-K109 VanDerWaalsContact OG-NZ 3.09Å; N106-K109 HydrophobicContact CB-CG 4.46Å; N106-K109 PolarHBondContact O-N 2.97Å; L107-K109 PolarHBondContact O-N 2.91Å; L107-K109 VanDerWaalsContact O-N 3.15Å
110	H	92.6	Very high	92.7	Very high	18 Å²	18	53.1 Å²	53.1	8%	0.083	28%	0.281	C	S	.	.	S	Bend	trans	-124.5	145.4	-177.8	-62.5	-39.5	0	0	0	108.9	Y98 D99 D101 S102 S104 L107 F112	Y98-H110 HydrophobicContact CD1-CB 4.17Å; D99-H110 WeakPolarHBondContact O-CA 3.3Å; D99-H110 VanDerWaalsContact O-CB 3.25Å; D99-H110 WeakPolarHBondContact O-CB 3.48Å; D101-H110 PolarHBondContact N-ND1 2.81Å; D101-H110 WeakPolarHBondContact OD2-CA 3.31Å; S102-H110 PolarHBondContact O-CE1 3.36Å; S102-H110 VanDerWaalsContact O-CE1 3.32Å; S104-H110 PolarHBondContact O-CE1 3.06Å; S104-H110 PolarHBondContact O-NE2 3.29Å; L107-H110 PolarHBondContact O-N 3.45Å; H110-F112 PolarHBondContact O-N 2.86Å
111	D	93	Very high	92.6	Very high	70 Å²	70	52.1 Å²	52.1	37%	0.374	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	125	-179.5	-91.7	-1	0	0	0	111.3	R38 Y98 D99 D101 L113	R38-D111 HydrophobicContact CG-CB 4.35Å; Y98-D111 CarbonylContact C-O 3.36Å; Y98-D111 VanDerWaalsContact CA-O 3.27Å; Y98-D111 WeakPolarHBondContact CA-O 3.39Å; D99-D111 HydrophobicContact CB-CB 4Å; D99-D111 PolarHBondContact N-O 2.89Å; D99-D111 PolarHBondContact O-N 2.78Å; D99-D111 VanDerWaalsContact O-N 3.15Å; D101-D111 PolarHBondContact OD2-N 3.14Å; D111-L113 PolarHBondContact O-N 3.35Å
112	F	95.2	Very high	93	Very high	58 Å²	58	50 Å²	50	25%	0.254	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.2	178.1	-178.2	-115.6	0	0	0	110.5	D96 Y98 H110 G114 Q115 I138	D96-F112 HydrophobicContact CB-CE2 4.24Å; Y98-F112 HydrophobicContact CD1-CB 4.31Å; Y98-F112 HydrophobicContact CD1-CD2 4.22Å; Y98-F112 HydrophobicContact CE1-CB 4.17Å; Y98-F112 AromaticContact CE1-CD2 3.75Å; Y98-F112 HydrophobicContact CE1-CD2 3.75Å; Y98-F112 HydrophobicContact CE1-CG 4.44Å; Y98-F112 HydrophobicContact CE2-CD2 4.43Å; Y98-F112 AromaticContact CZ-CD2 3.87Å; H110-F112 PolarHBondContact O-N 2.86Å; F112-G114 VanDerWaalsContact CE2-C 3.5Å; F112-G114 WeakPolarHBondContact CE2-O 3.33Å; F112-G114 VanDerWaalsContact CZ-CA 3.44Å; F112-G114 WeakPolarHBondContact CZ-O 3.43Å; F112-Q115 HydrophobicContact CE2-CB 4.3Å; F112-Q115 HydrophobicContact CZ-CB 3.82Å; F112-Q115 HydrophobicContact CZ-CG 3.95Å; F112-I138 HydrophobicContact CD1-CD1 4.47Å; F112-I138 HydrophobicContact CD1-CG1 4.13Å; F112-I138 HydrophobicContact CE1-CG1 4.35Å; F112-I138 WeakPolarHBondContact O-CD1 3.43Å
113	L	94.4	Very high	93.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-21.2	179.8	-62.6	-178.8	0	0	0	112.6	L35 L36 R38 P46 L97 D99 D111 I138 C143	L35-L113 HydrophobicContact CD1-CD1 4.3Å; L36-L113 HydrophobicContact CB-CD2 4.47Å; L36-L113 WeakPolarHBondContact O-CD2 3.46Å; R38-L113 HydrophobicContact CB-CD2 4.44Å; R38-L113 HydrophobicContact CG-CD2 3.59Å; P46-L113 HydrophobicContact CB-CD1 4.44Å; L97-L113 HydrophobicContact CB-CB 3.95Å; L97-L113 WeakPolarHBondContact O-CB 3.28Å; L97-L113 PolarHBondContact O-N 2.87Å; D99-L113 HydrophobicContact CB-CD1 4.06Å; D99-L113 HydrophobicContact CB-CD2 3.98Å; D99-L113 HydrophobicContact CB-CG 4.03Å; D111-L113 PolarHBondContact O-N 3.35Å; L113-I138 WeakPolarHBondContact O-CD1 3.43Å; L113-C143 WeakPolarHBondContact O-CB 3.4Å
114	G	96.1	Very high	93.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	140.1	-177.8	176	0	0	0	0	0	112.7	L97 F112 V136	L97-G114 PolarHBondContact N-O 2.6Å; L97-G114 PolarHBondContact O-N 2.82Å; F112-G114 VanDerWaalsContact CE2-C 3.5Å; F112-G114 WeakPolarHBondContact CE2-O 3.33Å; F112-G114 VanDerWaalsContact CZ-CA 3.44Å; F112-G114 WeakPolarHBondContact CZ-O 3.43Å; G114-V136 CarbonylContact C-O 3.55Å; G114-V136 WeakPolarHBondContact CA-O 3.34Å
115	Q	97.5	Very high	93.3	Very high	48 Å²	48	37.1 Å²	37.1	22%	0.224	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	158.9	-177.9	61.4	-174.3	-3.2	0	0	112.2	F95 D96 F112 F117 V136	F95-Q115 CarbonylContact O-C 3.54Å; F95-Q115 WeakPolarHBondContact O-CA 3.48Å; D96-Q115 WeakPolarHBondContact OD1-CB 3.45Å; F112-Q115 HydrophobicContact CE2-CB 4.3Å; F112-Q115 HydrophobicContact CZ-CB 3.82Å; F112-Q115 HydrophobicContact CZ-CG 3.95Å; Q115-F117 HydrophobicContact CG-CE2 3.99Å; Q115-V136 PolarHBondContact N-O 3.16Å; Q115-V136 VanDerWaalsContact O-CG2 3.25Å; Q115-V136 WeakPolarHBondContact O-CG2 3.45Å; Q115-V136 PolarHBondContact O-N 2.84Å
116	V	97.8	Very high	93.3	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.7	173	174.3	0	0	0	0	109.9	R94 F95 K133 I135 I146	R94-V116 CarbonylContact C-O 3.59Å; R94-V116 VanDerWaalsContact CA-O 3.32Å; R94-V116 WeakPolarHBondContact CA-O 3.21Å; F95-V116 PolarHBondContact N-O 3.16Å; F95-V116 PolarHBondContact O-N 2.96Å; V116-K133 HydrophobicContact CG1-CB 3.89Å; V116-K133 HydrophobicContact CG1-CD 4.04Å; V116-I135 HydrophobicContact CG2-CB 4.29Å; V116-I135 HydrophobicContact CG2-CG1 3.94Å; V116-I146 HydrophobicContact CB-CG2 4.02Å; V116-I146 HydrophobicContact CG1-CG2 3.94Å; V116-I146 HydrophobicContact CG2-CB 4.36Å; V116-I146 HydrophobicContact CG2-CG2 3.63Å
117	F	96.6	Very high	92.9	Very high	87 Å²	87	37 Å²	37	38%	0.382	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	134.5	172.7	-61.5	-95.3	0	0	0	109.8	W60 R94 Q115 K133	W60-F117 HydrophobicContact CH2-CD1 4.09Å; W60-F117 HydrophobicContact CH2-CE1 4.42Å; W60-F117 AromaticContact CZ2-CD1 3.78Å; W60-F117 HydrophobicContact CZ2-CD1 3.78Å; W60-F117 AromaticContact CZ2-CE1 3.77Å; W60-F117 HydrophobicContact CZ2-CE1 3.77Å; R94-F117 HydrophobicContact CB-CD1 3.96Å; R94-F117 HydrophobicContact CB-CE1 4Å; R94-F117 VanDerWaalsContact CD-CZ 3.43Å; R94-F117 HydrophobicContact CG-CD1 3.79Å; R94-F117 HydrophobicContact CG-CE1 3.52Å; R94-F117 HydrophobicContact CG-CE2 4.42Å; R94-F117 HydrophobicContact CG-CG 4.37Å; R94-F117 HydrophobicContact CG-CZ 3.86Å; Q115-F117 HydrophobicContact CG-CE2 3.99Å; F117-K133 PolarHBondContact O-NZ 3.35Å
118	C	96.1	Very high	92.5	Very high	9 Å²	9	37 Å²	37	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	176	172.1	56.7	0	0	0	0	109.7	L93 E122 L131 K133	L93-C118 WeakPolarHBondContact CA-O 3.41Å; L93-C118 PolarHBondContact N-O 2.83Å; L93-C118 PolarHBondContact O-N 3.1Å; L93-C118 VanDerWaalsContact O-N 3.1Å; C118-E122 VanDerWaalsContact CA-OE2 3.25Å; C118-E122 WeakPolarHBondContact CA-OE2 3.28Å; C118-E122 WeakPolarHBondContact CB-OE2 3.49Å; C118-L131 HydrophobicContact CB-CD2 3.91Å; C118-K133 HydrophobicContact CB-CD 4.33Å
119	T	94.5	Very high	92.3	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.031	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	160.7	166	59.3	0	0	0	0	109.7	R90 E91 G121 E122 I123 D353	R90-T119 HydrophobicContact CG-CG2 3.85Å; E91-T119 CarbonylContact O-C 3.5Å; E91-T119 WeakPolarHBondContact O-CA 3.19Å; T119-G121 VanDerWaalsContact C-N 3.28Å; T119-E122 PolarHBondContact O-N 2.96Å; T119-E122 VanDerWaalsContact OG1-CB 3.27Å; T119-E122 WeakPolarHBondContact OG1-CB 3.28Å; T119-E122 PolarHBondContact OG1-N 3.46Å; T119-I123 PolarHBondContact O-N 2.94Å; T119-D353 PolarHBondContact OG1-OD2 3.33Å
120	L	94.1	Very high	92.3	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-41.1	169.4	-175.8	54.9	0	0	0	110.7	V26 V28 L83 Y85 E91 L93 E122 I123 V124	V26-L120 HydrophobicContact CG1-CD1 4.43Å; V28-L120 HydrophobicContact CG2-CD1 3.88Å; L83-L120 HydrophobicContact CB-CD2 3.97Å; L83-L120 HydrophobicContact CD1-CD1 4.08Å; L83-L120 HydrophobicContact CD1-CD2 4.21Å; Y85-L120 HydrophobicContact CD2-CD2 3.93Å; Y85-L120 HydrophobicContact CD2-CG 4.02Å; Y85-L120 HydrophobicContact CG-CD2 4.47Å; E91-L120 HydrophobicContact CB-CB 4.01Å; E91-L120 PolarHBondContact O-N 3.19Å; L93-L120 HydrophobicContact CD1-CB 4.1Å; L93-L120 HydrophobicContact CD1-CD1 4.32Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.19Å; L120-I123 PolarHBondContact O-N 3.03Å; L120-I123 VanDerWaalsContact O-N 3.08Å; L120-V124 HydrophobicContact CD1-CG1 4.39Å; L120-V124 PolarHBondContact O-N 3.05Å
121	G	91.6	Very high	92.3	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-46.7	-49.7	169.2	0	0	0	0	0	113.7	T119 I123 V124 G125	T119-G121 VanDerWaalsContact C-N 3.28Å; G121-I123 VanDerWaalsContact C-N 3.29Å; G121-I123 PolarHBondContact O-N 3.47Å; G121-V124 VanDerWaalsContact O-CG2 3.25Å; G121-V124 WeakPolarHBondContact O-CG2 3.31Å; G121-V124 PolarHBondContact O-N 3.48Å; G121-G125 PolarHBondContact O-N 2.91Å
122	E	93.3	Very high	92.4	Very high	36 Å²	36	30.9 Å²	30.9	17%	0.168	16%	0.156	C	C	.	.	H	α-helix	trans	-61.2	-35.7	179.7	-170.6	-175.3	179.6	0	0	112	C118 T119 L120 S126 L131 K133	C118-E122 VanDerWaalsContact CA-OE2 3.25Å; C118-E122 WeakPolarHBondContact CA-OE2 3.28Å; C118-E122 WeakPolarHBondContact CB-OE2 3.49Å; T119-E122 PolarHBondContact O-N 2.96Å; T119-E122 VanDerWaalsContact OG1-CB 3.27Å; T119-E122 WeakPolarHBondContact OG1-CB 3.28Å; T119-E122 PolarHBondContact OG1-N 3.46Å; L120-E122 VanDerWaalsContact C-N 3.34Å; L120-E122 PolarHBondContact O-N 3.19Å; E122-S126 WeakPolarHBondContact O-CB 3.29Å; E122-S126 PolarHBondContact O-N 3.4Å; E122-S126 PolarHBondContact O-OG 3.33Å; E122-L131 HydrophobicContact CB-CD2 4.27Å; E122-L131 HydrophobicContact CG-CD1 4.14Å; E122-L131 HydrophobicContact CG-CD2 3.78Å; E122-K133 VanDerWaalsContact CD-NZ 3.31Å; E122-K133 IonicContact OE1-NZ 3.95Å; E122-K133 PolarHBondContact OE1-NZ 3.21Å; E122-K133 IonicContact OE2-NZ 2.65Å; E122-K133 PolarHBondContact OE2-NZ 3.35Å
123	I	93.4	Very high	92.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-71.4	-49	177.6	-54.9	168.4	0	0	0	110.4	V28 L93 F95 T119 L120 G121 S126 S129 L131 L148 A150	V28-I123 HydrophobicContact CG1-CD1 4.41Å; L93-I123 HydrophobicContact CD1-CD1 3.75Å; F95-I123 HydrophobicContact CZ-CD1 4.43Å; T119-I123 PolarHBondContact O-N 2.94Å; L120-I123 PolarHBondContact O-N 3.03Å; L120-I123 VanDerWaalsContact O-N 3.08Å; G121-I123 VanDerWaalsContact C-N 3.29Å; G121-I123 PolarHBondContact O-N 3.47Å; I123-S126 PolarHBondContact O-N 2.76Å; I123-S129 CarbonylContact O-C 3.56Å; I123-S129 VanDerWaalsContact O-C 3.31Å; I123-S129 WeakPolarHBondContact O-CA 3.29Å; I123-L131 HydrophobicContact CG1-CB 4.37Å; I123-L131 HydrophobicContact CG1-CD2 3.75Å; I123-L131 HydrophobicContact CG2-CB 4.48Å; I123-L148 HydrophobicContact CD1-CB 4.16Å; I123-L148 HydrophobicContact CD1-CD1 3.82Å; I123-L148 HydrophobicContact CG1-CB 4.26Å; I123-L148 HydrophobicContact CG1-CD1 4.12Å; I123-L148 HydrophobicContact CG2-CB 4.14Å; I123-A150 HydrophobicContact CG2-CB 3.66Å
124	V	91	Very high	92.6	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	18%	0.182	C	C	.	.	H	α-helix	trans	-70.2	-35.6	-176.4	-60.9	0	0	0	0	112.4	V26 Y85 L120 G121 S129 A150 L299 Y354	V26-V124 HydrophobicContact CG1-CG1 4.33Å; V26-V124 HydrophobicContact CG2-CG1 4.42Å; Y85-V124 HydrophobicContact CD2-CG2 4.44Å; Y85-V124 HydrophobicContact CE2-CG1 4.49Å; Y85-V124 HydrophobicContact CE2-CG2 3.62Å; L120-V124 HydrophobicContact CD1-CG1 4.39Å; L120-V124 PolarHBondContact O-N 3.05Å; G121-V124 VanDerWaalsContact O-CG2 3.25Å; G121-V124 WeakPolarHBondContact O-CG2 3.31Å; G121-V124 PolarHBondContact O-N 3.48Å; V124-S129 PolarHBondContact O-OG 3.05Å; V124-A150 HydrophobicContact CG1-CB 3.82Å; V124-L299 HydrophobicContact CB-CD2 4.2Å; V124-L299 HydrophobicContact CG2-CD2 4.23Å; V124-Y354 HydrophobicContact CG2-CE1 3.98Å
125	G	88.4	Confident	92.6	Very high	19 Å²	19	35.1 Å²	35.1	20%	0.196	18%	0.184	C	C	.	.	H	α-helix	trans	-77.3	-18.2	179.2	0	0	0	0	0	114.2	G121	G121-G125 PolarHBondContact O-N 2.91Å
126	S	88.1	Confident	92.5	Very high	27 Å²	27	36.4 Å²	36.4	19%	0.189	20%	0.196	C	C	.	.	S	Bend	trans	-64.9	150.7	172.7	-70.5	0	0	0	0	111.6	E122 I123 G128 S129 R130	E122-S126 WeakPolarHBondContact O-CB 3.29Å; E122-S126 PolarHBondContact O-N 3.4Å; E122-S126 PolarHBondContact O-OG 3.33Å; I123-S126 PolarHBondContact O-N 2.76Å; S126-G128 PolarHBondContact O-N 3.21Å; S126-S129 VanDerWaalsContact O-CA 3.28Å; S126-S129 WeakPolarHBondContact O-CA 3.48Å; S126-S129 PolarHBondContact O-N 3Å; S126-R130 WeakPolarHBondContact CB-O 3.48Å
127	Q	83.4	Confident	92.1	Very high	153 Å²	153	38.3 Å²	38.3	72%	0.715	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-54.9	125.6	-179.4	-172.5	177.7	15.7	0	0	111.6	S129 R130 P550	Q127-S129 PolarHBondContact O-N 3.05Å; Q127-R130 PolarHBondContact O-N 3.19Å; Q127-P550 HydrophobicContact CG-CG 3.94Å
128	G	82	Confident	91.8	Very high	20 Å²	20	35.5 Å²	35.5	21%	0.206	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	68.1	16.1	-175.9	0	0	0	0	0	114.4	S126 R130	S126-G128 PolarHBondContact O-N 3.21Å; G128-R130 PolarHBondContact O-N 2.73Å
129	S	88.8	Confident	91.5	Very high	6 Å²	6	41 Å²	41	4%	0.042	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	55.3	39.8	-172.6	-53.1	0	0	0	0	112.2	I123 V124 S126 Q127 T149 A150	I123-S129 CarbonylContact O-C 3.56Å; I123-S129 VanDerWaalsContact O-C 3.31Å; I123-S129 WeakPolarHBondContact O-CA 3.29Å; V124-S129 PolarHBondContact O-OG 3.05Å; S126-S129 VanDerWaalsContact O-CA 3.28Å; S126-S129 WeakPolarHBondContact O-CA 3.48Å; S126-S129 PolarHBondContact O-N 3Å; Q127-S129 PolarHBondContact O-N 3.05Å; S129-T149 CarbonylContact O-C 3.58Å; S129-T149 VanDerWaalsContact O-CA 3.31Å; S129-T149 WeakPolarHBondContact O-CA 3.36Å; S129-A150 VanDerWaalsContact CB-O 3.32Å; S129-A150 WeakPolarHBondContact CB-O 3.49Å; S129-A150 PolarHBondContact O-N 3.24Å
130	R	90.9	Very high	91.2	Very high	65 Å²	65	45 Å²	45	25%	0.245	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115	-175.5	178.7	169.8	-178.2	-73.7	-1.4	110.9	S126 Q127 G128 E132 I147 L148 T149	S126-R130 WeakPolarHBondContact CB-O 3.48Å; Q127-R130 PolarHBondContact O-N 3.19Å; G128-R130 PolarHBondContact O-N 2.73Å; R130-E132 IonicContact CZ-OE1 3.37Å; R130-E132 IonicContact NH1-OE1 2.97Å; R130-E132 PolarHBondContact NH1-OE1 2.76Å; R130-E132 IonicContact NH2-OE1 3.65Å; R130-E132 PolarHBondContact NH2-OE1 3.01Å; R130-I147 HydrophobicContact CG-CG2 4.25Å; R130-L148 CarbonylContact C-O 3.48Å; R130-L148 WeakPolarHBondContact CA-O 3.46Å; R130-T149 HydrophobicContact CB-CG2 3.99Å; R130-T149 HydrophobicContact CG-CG2 3.74Å
131	L	93.2	Very high	91	Very high	13 Å²	13	51 Å²	51	7%	0.068	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.4	-179.3	177.9	62.9	0	0	0	110.3	C118 E122 I123 K133 I147 L148	C118-L131 HydrophobicContact CB-CD2 3.91Å; E122-L131 HydrophobicContact CB-CD2 4.27Å; E122-L131 HydrophobicContact CG-CD1 4.14Å; E122-L131 HydrophobicContact CG-CD2 3.78Å; I123-L131 HydrophobicContact CG1-CB 4.37Å; I123-L131 HydrophobicContact CG1-CD2 3.75Å; I123-L131 HydrophobicContact CG2-CB 4.48Å; L131-K133 HydrophobicContact CD1-CD 4.12Å; L131-K133 HydrophobicContact CD1-CG 3.99Å; L131-K133 HydrophobicContact CD2-CD 3.89Å; L131-K133 HydrophobicContact CD2-CG 4.4Å; L131-K133 HydrophobicContact CG-CD 4.06Å; L131-K133 HydrophobicContact CG-CG 4.01Å; L131-I147 WeakPolarHBondContact O-CA 3.36Å; L131-L148 HydrophobicContact CB-CB 4.44Å; L131-L148 HydrophobicContact CD2-CD1 4.47Å; L131-L148 PolarHBondContact N-O 2.86Å; L131-L148 PolarHBondContact O-N 3.21Å
132	E	95	Very high	91	Very high	92 Å²	92	60.4 Å²	60.4	43%	0.43	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.3	169.2	-63.3	-163.6	-159.1	0	0	110.2	R130 T145 I146 I147	R130-E132 IonicContact CZ-OE1 3.37Å; R130-E132 IonicContact NH1-OE1 2.97Å; R130-E132 PolarHBondContact NH1-OE1 2.76Å; R130-E132 IonicContact NH2-OE1 3.65Å; R130-E132 PolarHBondContact NH2-OE1 3.01Å; E132-T145 HydrophobicContact CB-CG2 4.29Å; E132-I146 WeakPolarHBondContact CA-O 3.22Å; E132-I147 HydrophobicContact CG-CG1 4.1Å; E132-I147 HydrophobicContact CG-CG2 4.37Å
133	K	96	Very high	91	Very high	48 Å²	48	58.8 Å²	58.8	21%	0.209	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143	176.4	-70.8	-177.8	89.9	158.7	0	112.2	V116 F117 C118 E122 L131 T145 I146	V116-K133 HydrophobicContact CG1-CB 3.89Å; V116-K133 HydrophobicContact CG1-CD 4.04Å; F117-K133 PolarHBondContact O-NZ 3.35Å; C118-K133 HydrophobicContact CB-CD 4.33Å; E122-K133 VanDerWaalsContact CD-NZ 3.31Å; E122-K133 IonicContact OE1-NZ 3.95Å; E122-K133 PolarHBondContact OE1-NZ 3.21Å; E122-K133 IonicContact OE2-NZ 2.65Å; E122-K133 PolarHBondContact OE2-NZ 3.35Å; L131-K133 HydrophobicContact CD1-CD 4.12Å; L131-K133 HydrophobicContact CD1-CG 3.99Å; L131-K133 HydrophobicContact CD2-CD 3.89Å; L131-K133 HydrophobicContact CD2-CG 4.4Å; L131-K133 HydrophobicContact CG-CD 4.06Å; L131-K133 HydrophobicContact CG-CG 4.01Å; K133-T145 WeakPolarHBondContact O-CA 3.44Å; K133-T145 WeakPolarHBondContact O-CG2 3.47Å; K133-I146 HydrophobicContact CB-CG2 4.18Å; K133-I146 PolarHBondContact N-O 2.99Å; K133-I146 PolarHBondContact O-N 3.38Å
134	P	96.8	Very high	91.1	Very high	91 Å²	91	59.5 Å²	59.5	59%	0.591	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	138.1	171.5	28.6	-33.9	0	0	0	110.1
135	I	96.8	Very high	91.3	Very high	8 Å²	8	61.5 Å²	61.5	4%	0.041	36%	0.36	C	S	.	.			trans	-78.2	132.5	174.6	-60.4	168.6	0	0	0	108.5	L35 L97 V116 C143 G144 I146	L35-I135 HydrophobicContact CD2-CD1 3.39Å; L97-I135 HydrophobicContact CG-CD1 4.49Å; V116-I135 HydrophobicContact CG2-CB 4.29Å; V116-I135 HydrophobicContact CG2-CG1 3.94Å; I135-C143 HydrophobicContact CB-CB 3.79Å; I135-C143 HydrophobicContact CG2-CB 3.58Å; I135-C143 WeakPolarHBondContact O-CB 3.28Å; I135-G144 PolarHBondContact N-O 3.26Å; I135-I146 HydrophobicContact CD1-CB 4.35Å; I135-I146 HydrophobicContact CG1-CB 4.12Å
136	V	94.9	Very high	91.8	Very high	76 Å²	76	60.6 Å²	60.6	46%	0.461	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-123.2	-175.1	-177.1	-61.1	0	0	0	0	111.3	G114 Q115	G114-V136 CarbonylContact C-O 3.55Å; G114-V136 WeakPolarHBondContact CA-O 3.34Å; Q115-V136 PolarHBondContact N-O 3.16Å; Q115-V136 VanDerWaalsContact O-CG2 3.25Å; Q115-V136 WeakPolarHBondContact O-CG2 3.45Å; Q115-V136 PolarHBondContact O-N 2.84Å
137	G	88.9	Confident	92.1	Very high	43 Å²	43	59.8 Å²	59.8	44%	0.443	34%	0.344	S	S	.	.	S	Bend	trans	105.3	-10.1	173.9	0	0	0	0	0	115.2
138	I	91.2	Very high	92.7	Very high	27 Å²	27	52.5 Å²	52.5	14%	0.138	31%	0.31	C	S	.	.	S	Bend	trans	-116.5	109.1	172.3	-54.8	167	0	0	0	109	L36 F112 L113 G140 K141	L36-I138 HydrophobicContact CD2-CD1 3.69Å; F112-I138 HydrophobicContact CD1-CD1 4.47Å; F112-I138 HydrophobicContact CD1-CG1 4.13Å; F112-I138 HydrophobicContact CE1-CG1 4.35Å; F112-I138 WeakPolarHBondContact O-CD1 3.43Å; L113-I138 WeakPolarHBondContact O-CD1 3.43Å; I138-G140 PolarHBondContact O-N 2.71Å; I138-K141 HydrophobicContact CB-CB 4.21Å; I138-K141 HydrophobicContact CG2-CB 3.84Å; I138-K141 HydrophobicContact CG2-CG 3.67Å; I138-K141 PolarHBondContact O-N 3.16Å
139	P	89.6	Confident	93.2	Very high	125 Å²	125	53.5 Å²	53.5	81%	0.812	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	130.2	-177.4	-26.9	35.1	0	0	0	112.9	K141	P139-K141 VanDerWaalsContact C-N 3.26Å; P139-K141 PolarHBondContact O-N 3.31Å
140	G	88.5	Confident	93.4	Very high	88 Å²	88	53.4 Å²	53.4	91%	0.907	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	8.8	175	0	0	0	0	0	115.7	I138	I138-G140 PolarHBondContact O-N 2.71Å
141	K	90.1	Very high	93.2	Very high	128 Å²	128	55 Å²	55	56%	0.557	32%	0.323	S	S	*	.			trans	-116.6	141.7	178.6	-63.7	-67.2	-173.3	171	0	111.4	I138 P139	I138-K141 HydrophobicContact CB-CB 4.21Å; I138-K141 HydrophobicContact CG2-CB 3.84Å; I138-K141 HydrophobicContact CG2-CG 3.67Å; I138-K141 PolarHBondContact O-N 3.16Å; P139-K141 VanDerWaalsContact C-N 3.26Å; P139-K141 PolarHBondContact O-N 3.31Å
142	K	90.4	Very high	92.8	Very high	200 Å²	200	56.2 Å²	56.2	87%	0.87	33%	0.328	S	S	*	.			trans	-83.1	116.9	166.4	-67.5	-174.8	178.4	-176.3	0	107.6
143	C	93.8	Very high	91.9	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.014	32%	0.32	C	S	.	.			trans	-100.1	4.5	-172.1	-55.2	0	0	0	0	113.5	L113 I135	L113-C143 WeakPolarHBondContact O-CB 3.4Å; I135-C143 HydrophobicContact CB-CB 3.79Å; I135-C143 HydrophobicContact CG2-CB 3.58Å; I135-C143 WeakPolarHBondContact O-CB 3.28Å
144	G	94.8	Very high	90.4	Very high	16 Å²	16	55.1 Å²	55.1	17%	0.165	33%	0.327	C	S	.	.			trans	92.1	-167	-173.9	0	0	0	0	0	113.1	R33 N34 I135	R33-G144 CarbonylContact O-C 3.58Å; R33-G144 VanDerWaalsContact O-CA 3.27Å; R33-G144 WeakPolarHBondContact O-CA 3.31Å; N34-G144 WeakPolarHBondContact O-CA 3.09Å; N34-G144 PolarHBondContact O-N 3.42Å; I135-G144 PolarHBondContact N-O 3.26Å
145	T	96.6	Very high	88.4	Confident	44 Å²	44	55 Å²	55	27%	0.27	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	136.9	-179.6	-58.9	0	0	0	0	108.8	C32 R33 E132 K133	C32-T145 CarbonylContact C-O 3.57Å; C32-T145 VanDerWaalsContact CA-O 3.26Å; C32-T145 WeakPolarHBondContact CA-O 3.32Å; R33-T145 PolarHBondContact N-O 2.92Å; R33-T145 PolarHBondContact O-N 3.38Å; E132-T145 HydrophobicContact CB-CG2 4.29Å; K133-T145 WeakPolarHBondContact O-CA 3.44Å; K133-T145 WeakPolarHBondContact O-CG2 3.47Å
146	I	97.2	Very high	86.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	142.6	167.4	-162.1	171	0	0	0	109	V30 F95 L97 V116 E132 K133 I135 L148	V30-I146 HydrophobicContact CG1-CD1 3.8Å; V30-I146 HydrophobicContact CG1-CG1 3.91Å; F95-I146 HydrophobicContact CB-CD1 3.75Å; F95-I146 HydrophobicContact CD1-CD1 4.26Å; F95-I146 HydrophobicContact CG-CD1 4Å; L97-I146 HydrophobicContact CD2-CD1 4.35Å; V116-I146 HydrophobicContact CB-CG2 4.02Å; V116-I146 HydrophobicContact CG1-CG2 3.94Å; V116-I146 HydrophobicContact CG2-CB 4.36Å; V116-I146 HydrophobicContact CG2-CG2 3.63Å; E132-I146 WeakPolarHBondContact CA-O 3.22Å; K133-I146 HydrophobicContact CB-CG2 4.18Å; K133-I146 PolarHBondContact N-O 2.99Å; K133-I146 PolarHBondContact O-N 3.38Å; I135-I146 HydrophobicContact CD1-CB 4.35Å; I135-I146 HydrophobicContact CG1-CB 4.12Å; I146-L148 HydrophobicContact CD1-CD2 3.73Å; I146-L148 HydrophobicContact CD1-CG 4.3Å; I146-L148 HydrophobicContact CG1-CD2 3.93Å; I146-L148 HydrophobicContact CG1-CG 4.23Å; I146-L148 HydrophobicContact CG2-CG 4.46Å
147	I	96.1	Very high	85.7	Confident	10 Å²	10	55.7 Å²	55.7	5%	0.051	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.3	174.4	-53.5	169.2	0	0	0	106.2	S31 R33 R130 L131 E132	S31-I147 PolarHBondContact N-O 3.29Å; S31-I147 PolarHBondContact O-N 3.49Å; S31-I147 WeakPolarHBondContact OG-CB 3.21Å; R33-I147 HydrophobicContact CG-CD1 3.72Å; R130-I147 HydrophobicContact CG-CG2 4.25Å; L131-I147 WeakPolarHBondContact O-CA 3.36Å; E132-I147 HydrophobicContact CG-CG1 4.1Å; E132-I147 HydrophobicContact CG-CG2 4.37Å
148	L	96	Very high	85.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	129.6	179.6	-59.3	174.1	0	0	0	108.1	S29 V30 F95 I123 R130 L131 I146	S29-L148 WeakPolarHBondContact O-CA 3.36Å; V30-L148 HydrophobicContact CB-CD2 4.27Å; V30-L148 HydrophobicContact CG1-CD2 4.05Å; V30-L148 HydrophobicContact CG2-CD2 3.76Å; F95-L148 HydrophobicContact CD1-CD2 4.08Å; F95-L148 HydrophobicContact CD2-CD1 4Å; F95-L148 HydrophobicContact CD2-CD2 4.49Å; F95-L148 HydrophobicContact CE1-CD2 3.72Å; F95-L148 HydrophobicContact CE2-CD1 3.58Å; F95-L148 HydrophobicContact CE2-CD2 4.19Å; F95-L148 HydrophobicContact CG-CD2 4.44Å; F95-L148 HydrophobicContact CZ-CD1 3.91Å; F95-L148 HydrophobicContact CZ-CD2 3.78Å; F95-L148 HydrophobicContact CZ-CG 4.5Å; I123-L148 HydrophobicContact CD1-CB 4.16Å; I123-L148 HydrophobicContact CD1-CD1 3.82Å; I123-L148 HydrophobicContact CG1-CB 4.26Å; I123-L148 HydrophobicContact CG1-CD1 4.12Å; I123-L148 HydrophobicContact CG2-CB 4.14Å; R130-L148 CarbonylContact C-O 3.48Å; R130-L148 WeakPolarHBondContact CA-O 3.46Å; L131-L148 HydrophobicContact CB-CB 4.44Å; L131-L148 HydrophobicContact CD2-CD1 4.47Å; L131-L148 PolarHBondContact N-O 2.86Å; L131-L148 PolarHBondContact O-N 3.21Å; I146-L148 HydrophobicContact CD1-CD2 3.73Å; I146-L148 HydrophobicContact CD1-CG 4.3Å; I146-L148 HydrophobicContact CG1-CD2 3.93Å; I146-L148 HydrophobicContact CG1-CG 4.23Å; I146-L148 HydrophobicContact CG2-CG 4.46Å
149	T	92.4	Very high	85.3	Confident	41 Å²	41	54.2 Å²	54.2	25%	0.252	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	135	172.5	62.8	0	0	0	0	110.6	V28 S29 S129 R130	V28-T149 CarbonylContact C-O 3.59Å; V28-T149 WeakPolarHBondContact CA-O 3.5Å; S29-T149 VanDerWaalsContact CB-OG1 3.29Å; S29-T149 WeakPolarHBondContact CB-OG1 3.44Å; S29-T149 PolarHBondContact N-O 3.48Å; S29-T149 PolarHBondContact O-N 3.37Å; S129-T149 CarbonylContact O-C 3.58Å; S129-T149 VanDerWaalsContact O-CA 3.31Å; S129-T149 WeakPolarHBondContact O-CA 3.36Å; R130-T149 HydrophobicContact CB-CG2 3.99Å; R130-T149 HydrophobicContact CG-CG2 3.74Å
150	A	91.3	Very high	85.4	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.033	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.5	179	0	0	0	0	0	111.3	V26 E27 I123 V124 S129	V26-A150 HydrophobicContact CG1-CB 3.52Å; E27-A150 CarbonylContact O-C 3.54Å; E27-A150 WeakPolarHBondContact O-CA 3.38Å; I123-A150 HydrophobicContact CG2-CB 3.66Å; V124-A150 HydrophobicContact CG1-CB 3.82Å; S129-A150 VanDerWaalsContact CB-O 3.32Å; S129-A150 WeakPolarHBondContact CB-O 3.49Å; S129-A150 PolarHBondContact O-N 3.24Å
151	E	87.1	Confident	85.7	Confident	100 Å²	100	46.5 Å²	46.5	47%	0.467	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.4	173.4	-63.6	-166	165.7	0	0	110.7	V26 E27 L153	V26-E151 CarbonylContact C-O 3.57Å; V26-E151 WeakPolarHBondContact CA-O 3.32Å; E27-E151 PolarHBondContact N-O 3.23Å; E27-E151 PolarHBondContact O-N 3.12Å; E151-L153 PolarHBondContact O-N 3.27Å
152	E	85.1	Confident	86	Confident	37 Å²	37	40.4 Å²	40.4	17%	0.173	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	125.2	177.8	-169.2	-176	-176.9	0	0	111.1	T24 N154 R157 S297 L299	T24-E152 VanDerWaalsContact CB-OE1 3.22Å; T24-E152 WeakPolarHBondContact CB-OE1 3.39Å; T24-E152 HydrophobicContact CG2-CG 3.77Å; T24-E152 WeakPolarHBondContact CG2-OE1 3.36Å; T24-E152 WeakPolarHBondContact OG1-CG 3.46Å; T24-E152 PolarHBondContact OG1-OE1 3.45Å; E152-N154 VanDerWaalsContact C-N 3.31Å; E152-N154 PolarHBondContact O-N 3.02Å; E152-N154 PolarHBondContact OE1-ND2 3.41Å; E152-N154 PolarHBondContact OE1-OD1 3.09Å; E152-N154 PolarHBondContact OE2-ND2 3.18Å; E152-R157 IonicContact OE2-CZ 2.65Å; E152-R157 IonicContact OE2-NE 2.77Å; E152-R157 IonicContact OE2-NH2 2.71Å; E152-R157 PolarHBondContact OE2-NH2 3.03Å; E152-S297 WeakPolarHBondContact OE2-CB 3.18Å; E152-S297 PolarHBondContact OE2-OG 2.85Å; E152-L299 HydrophobicContact CG-CD1 4.45Å
153	L	76.6	Confident	86.3	Confident	53 Å²	53	33.4 Å²	33.4	28%	0.277	18%	0.183	S	C	.	.			trans	-84.4	70	179.4	-72.1	170.9	0	0	0	111.5	R25 E27 I82 E151	R25-L153 HydrophobicContact CB-CB 4.12Å; R25-L153 HydrophobicContact CB-CD1 4.27Å; R25-L153 WeakPolarHBondContact O-CB 2.85Å; R25-L153 PolarHBondContact O-N 3.21Å; E27-L153 HydrophobicContact CB-CD1 3.97Å; E27-L153 HydrophobicContact CB-CD2 3.87Å; E27-L153 HydrophobicContact CB-CG 3.8Å; I82-L153 HydrophobicContact CB-CD1 4.12Å; I82-L153 HydrophobicContact CD1-CD1 3.98Å; I82-L153 HydrophobicContact CG1-CD1 3.81Å; I82-L153 HydrophobicContact CG2-CD1 3.46Å; I82-L153 VanDerWaalsContact CG2-CD1 3.46Å; E151-L153 PolarHBondContact O-N 3.27Å
154	N	64.6	Low	86.5	Confident	64 Å²	64	33.4 Å²	33.4	34%	0.342	18%	0.182	S	C	.	.			trans	-95.8	98.1	170.4	-75	-12.3	0	0	0	110.4	T24 E152 C156 R157	T24-N154 PolarHBondContact OG1-OD1 3.33Å; E152-N154 VanDerWaalsContact C-N 3.31Å; E152-N154 PolarHBondContact O-N 3.02Å; E152-N154 PolarHBondContact OE1-ND2 3.41Å; E152-N154 PolarHBondContact OE1-OD1 3.09Å; E152-N154 PolarHBondContact OE2-ND2 3.18Å; N154-C156 PolarHBondContact O-N 2.92Å; N154-R157 HydrophobicContact CB-CG 3.46Å; N154-R157 VanDerWaalsContact CB-CG 3.46Å; N154-R157 PolarHBondContact ND2-NE 2.86Å
155	C	54.7	Low	86.6	Confident	88 Å²	88	33.8 Å²	33.8	60%	0.595	18%	0.182	S	C	*	.	S	Bend	trans	-60.4	-12.7	-178.3	40.6	0	0	0	0	114.9	R218	C155-R218 VanDerWaalsContact SG-CZ 3.59Å; C155-R218 PolarHBondContact SG-NH1 3.42Å
156	C	62.5	Low	86.7	Confident	32 Å²	32	31.9 Å²	31.9	22%	0.216	17%	0.171	C	C	.	.			trans	-169.5	117	158.2	-169.9	0	0	0	0	108.6	N154 D158 V217	N154-C156 PolarHBondContact O-N 2.92Å; C156-D158 VanDerWaalsContact C-N 3.32Å; C156-V217 VanDerWaalsContact SG-CB 3.58Å
157	R	72.2	Confident	86.7	Confident	67 Å²	67	35.3 Å²	35.3	25%	0.253	19%	0.19	S	C	.	.			trans	-84.3	-8.5	176.3	-69.1	-175	180	175.7	-12.1	113.3	E152 N154 T294 E295 D300	E152-R157 IonicContact OE2-CZ 2.65Å; E152-R157 IonicContact OE2-NE 2.77Å; E152-R157 IonicContact OE2-NH2 2.71Å; E152-R157 PolarHBondContact OE2-NH2 3.03Å; N154-R157 HydrophobicContact CB-CG 3.46Å; N154-R157 VanDerWaalsContact CB-CG 3.46Å; N154-R157 PolarHBondContact ND2-NE 2.86Å; R157-T294 HydrophobicContact CB-CG2 3.8Å; R157-E295 WeakPolarHBondContact O-CB 3.46Å; R157-E295 PolarHBondContact O-N 2.7Å; R157-D300 IonicContact CZ-OD1 2.89Å; R157-D300 IonicContact CZ-OD2 3.66Å; R157-D300 IonicContact NH1-OD1 3.3Å; R157-D300 PolarHBondContact NH1-OD1 3.03Å; R157-D300 IonicContact NH1-OD2 3.14Å; R157-D300 PolarHBondContact NH1-OD2 3.25Å; R157-D300 IonicContact NH2-OD1 3.35Å; R157-D300 PolarHBondContact NH2-OD1 3.18Å; R157-D300 IonicContact NH2-OD2 2.97Å
158	D	84.1	Confident	86.7	Confident	39 Å²	39	42.2 Å²	42.2	21%	0.209	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	139	-176.3	-65.5	-24	0	0	0	110.6	C156 V217 V292 T294	C156-D158 VanDerWaalsContact C-N 3.32Å; D158-V217 HydrophobicContact CB-CB 4.33Å; D158-V217 HydrophobicContact CB-CG2 3.71Å; D158-V217 VanDerWaalsContact O-CB 3.3Å; D158-V217 WeakPolarHBondContact O-CB 3.49Å; D158-V217 VanDerWaalsContact O-CG2 3.27Å; D158-V217 WeakPolarHBondContact O-CG2 3.44Å; D158-V217 PolarHBondContact O-N 3.01Å; D158-V292 HydrophobicContact CB-CG1 3.92Å; D158-T294 WeakPolarHBondContact OD1-CA 3.38Å; D158-T294 WeakPolarHBondContact OD1-CB 3.37Å; D158-T294 PolarHBondContact OD1-OG1 3.33Å
159	A	88.1	Confident	86.8	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	153.6	166.6	0	0	0	0	0	109	K214 I215 E293 E295	A159-K214 HydrophobicContact CB-CD 4.18Å; A159-K214 HydrophobicContact CB-CG 3.92Å; A159-I215 WeakPolarHBondContact CA-O 3.45Å; A159-E293 PolarHBondContact N-O 2.76Å; A159-E293 PolarHBondContact O-N 3.01Å; A159-E295 HydrophobicContact CB-CG 4.18Å
160	V	91.7	Very high	86.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120.7	179.7	-69.3	0	0	0	0	109.4	M162 K214 I215 V217 L220 Y252 F290 L291 V292	V160-M162 HydrophobicContact CB-CG 4.11Å; V160-M162 HydrophobicContact CB-SD 4.35Å; V160-M162 HydrophobicContact CG2-CE 3.73Å; V160-M162 HydrophobicContact CG2-CG 4.25Å; V160-M162 HydrophobicContact CG2-SD 4.01Å; V160-K214 WeakPolarHBondContact O-CA 3.24Å; V160-I215 HydrophobicContact CG2-CB 4.35Å; V160-I215 WeakPolarHBondContact CG2-O 3.47Å; V160-I215 PolarHBondContact N-O 3.25Å; V160-I215 PolarHBondContact O-N 2.89Å; V160-V217 HydrophobicContact CG1-CG2 4.11Å; V160-L220 HydrophobicContact CG2-CD2 3.66Å; V160-Y252 HydrophobicContact CG1-CD2 4.25Å; V160-Y252 HydrophobicContact CG1-CE2 3.57Å; V160-F290 HydrophobicContact CB-CE2 3.98Å; V160-F290 HydrophobicContact CB-CZ 4.05Å; V160-F290 HydrophobicContact CG1-CE1 3.89Å; V160-F290 HydrophobicContact CG1-CE2 3.73Å; V160-F290 HydrophobicContact CG1-CZ 3.3Å; V160-F290 HydrophobicContact CG2-CE2 4.46Å; V160-L291 WeakPolarHBondContact CA-O 3.47Å; V160-V292 HydrophobicContact CG1-CG2 4.37Å
161	L	94.1	Very high	86.9	Confident	51 Å²	51	47.6 Å²	47.6	27%	0.267	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.1	165.8	-179.1	69.4	0	0	0	107.7	A212 F213 L291	L161-A212 HydrophobicContact CD1-CB 4.03Å; L161-A212 HydrophobicContact CG-CB 4.47Å; L161-F213 WeakPolarHBondContact CA-O 3.47Å; L161-L291 HydrophobicContact CB-CB 4.31Å; L161-L291 HydrophobicContact CD2-CD2 4.36Å; L161-L291 PolarHBondContact N-O 3.11Å; L161-L291 PolarHBondContact O-N 3.28Å
162	M	95.8	Very high	87.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147	-176.2	-60.2	-177.4	-67.1	0	0	111	V160 F164 A212 F213 I215 L220 L255 L287 S289 F290	V160-M162 HydrophobicContact CB-CG 4.11Å; V160-M162 HydrophobicContact CB-SD 4.35Å; V160-M162 HydrophobicContact CG2-CE 3.73Å; V160-M162 HydrophobicContact CG2-CG 4.25Å; V160-M162 HydrophobicContact CG2-SD 4.01Å; M162-F164 HydrophobicContact CB-CD2 4.33Å; M162-F164 HydrophobicContact CB-CE2 3.79Å; M162-F164 HydrophobicContact CE-CE2 4.33Å; M162-F164 HydrophobicContact SD-CE2 4.14Å; M162-F164 HydrophobicContact SD-CZ 4.38Å; M162-A212 CarbonylContact O-C 3.58Å; M162-A212 VanDerWaalsContact O-CA 3.31Å; M162-A212 WeakPolarHBondContact O-CA 3.39Å; M162-F213 HydrophobicContact CB-CE2 4.46Å; M162-F213 HydrophobicContact CB-CZ 4.39Å; M162-F213 HydrophobicContact CE-CE2 3.83Å; M162-F213 HydrophobicContact CE-CZ 4.32Å; M162-F213 PolarHBondContact N-O 2.83Å; M162-F213 PolarHBondContact O-N 3.29Å; M162-I215 HydrophobicContact CE-CD1 4.07Å; M162-I215 HydrophobicContact CE-CG1 4.48Å; M162-L220 HydrophobicContact CE-CD2 4.35Å; M162-L255 HydrophobicContact SD-CD1 4.05Å; M162-L287 HydrophobicContact CB-CD1 4.16Å; M162-L287 HydrophobicContact CG-CD1 4.38Å; M162-L287 HydrophobicContact SD-CD1 4.46Å; M162-S289 VanDerWaalsContact CA-O 3.32Å; M162-S289 WeakPolarHBondContact CA-O 3.15Å; M162-F290 HydrophobicContact CG-CD2 3.6Å; M162-F290 HydrophobicContact CG-CE2 4.08Å; M162-F290 HydrophobicContact CG-CG 4.43Å; M162-F290 HydrophobicContact SD-CD2 3.55Å; M162-F290 VanDerWaalsContact SD-CD2 3.55Å; M162-F290 HydrophobicContact SD-CE2 3.61Å
163	Q	97.6	Very high	87.1	Confident	54 Å²	54	45.4 Å²	45.4	25%	0.252	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.5	169.6	-167.3	178	22.2	0	0	109.7	W210 A212 L288 S289	Q163-W210 VanDerWaalsContact CG-O 3.3Å; Q163-W210 WeakPolarHBondContact CG-O 3.44Å; Q163-W210 PolarHBondContact NE2-O 3.12Å; Q163-A212 HydrophobicContact CB-CB 4.13Å; Q163-A212 HydrophobicContact CG-CB 4.43Å; Q163-L288 HydrophobicContact CB-CB 4.23Å; Q163-L288 HydrophobicContact CG-CB 4.45Å; Q163-L288 HydrophobicContact CG-CD1 4.25Å; Q163-L288 WeakPolarHBondContact O-CB 3.29Å; Q163-L288 PolarHBondContact O-N 2.84Å; Q163-S289 VanDerWaalsContact CB-OG 3.29Å; Q163-S289 WeakPolarHBondContact CB-OG 3.27Å; Q163-S289 PolarHBondContact N-O 2.96Å; Q163-S289 PolarHBondContact N-OG 3.25Å; Q163-S289 PolarHBondContact O-N 3.18Å
164	F	98.1	Very high	87.2	Confident	1 Å²	1	51.3 Å²	51.3	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	153.8	178.7	-71.7	-96.3	0	0	0	110.9	M162 L182 F184 W210 F213 L255 Y265 V285 T286 L287	M162-F164 HydrophobicContact CB-CD2 4.33Å; M162-F164 HydrophobicContact CB-CE2 3.79Å; M162-F164 HydrophobicContact CE-CE2 4.33Å; M162-F164 HydrophobicContact SD-CE2 4.14Å; M162-F164 HydrophobicContact SD-CZ 4.38Å; F164-L182 HydrophobicContact CB-CD1 4.02Å; F164-L182 HydrophobicContact CG-CD1 4.29Å; F164-F184 HydrophobicContact CD2-CZ 4.05Å; F164-F184 HydrophobicContact CE2-CE1 4.05Å; F164-F184 AromaticContact CE2-CZ 3.66Å; F164-F184 HydrophobicContact CE2-CZ 3.66Å; F164-F184 HydrophobicContact CZ-CE1 4.05Å; F164-F184 AromaticContact CZ-CZ 3.98Å; F164-F184 HydrophobicContact CZ-CZ 3.98Å; F164-W210 HydrophobicContact CB-CE3 3.97Å; F164-W210 HydrophobicContact CB-CZ3 4.38Å; F164-W210 PolarHBondContact O-N 2.85Å; F164-F213 AromaticContact CD2-CE1 3.81Å; F164-F213 HydrophobicContact CD2-CE1 3.81Å; F164-F213 AromaticContact CD2-CZ 3.71Å; F164-F213 HydrophobicContact CD2-CZ 3.71Å; F164-F213 HydrophobicContact CE2-CE1 4.33Å; F164-F213 AromaticContact CE2-CZ 3.76Å; F164-F213 HydrophobicContact CE2-CZ 3.76Å; F164-L255 HydrophobicContact CE1-CD2 4.36Å; F164-L255 HydrophobicContact CZ-CD2 3.92Å; F164-Y265 HydrophobicContact CE1-CE2 4.39Å; F164-V285 HydrophobicContact CB-CG1 4.43Å; F164-V285 HydrophobicContact CD1-CG1 3.69Å; F164-V285 HydrophobicContact CE1-CG1 4.42Å; F164-V285 HydrophobicContact CG-CG1 4.46Å; F164-T286 VanDerWaalsContact CA-O 3.31Å; F164-T286 WeakPolarHBondContact CA-O 3.3Å; F164-L287 HydrophobicContact CD1-CB 4.28Å; F164-L287 HydrophobicContact CD1-CD1 4.22Å; F164-L287 HydrophobicContact CD2-CD1 4.19Å; F164-L287 HydrophobicContact CE1-CB 3.94Å; F164-L287 HydrophobicContact CE1-CD1 3.7Å; F164-L287 HydrophobicContact CE1-CG 4.42Å; F164-L287 HydrophobicContact CE2-CD1 3.65Å; F164-L287 HydrophobicContact CG-CD1 4.48Å; F164-L287 HydrophobicContact CZ-CB 4.49Å; F164-L287 HydrophobicContact CZ-CD1 3.4Å; F164-L287 HydrophobicContact CZ-CG 4.5Å
165	C	97.8	Very high	87.9	Confident	24 Å²	24	57.8 Å²	57.8	16%	0.162	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	165	160.6	69.1	0	0	0	0	110.2	P208 V209 V285 T286 L288	C165-P208 CarbonylContact C-O 3.54Å; C165-P208 WeakPolarHBondContact CA-O 3.29Å; C165-P208 VanDerWaalsContact CB-O 3.31Å; C165-P208 WeakPolarHBondContact CB-O 3.35Å; C165-V209 HydrophobicContact CB-CB 4.37Å; C165-V209 HydrophobicContact CB-CG1 4.48Å; C165-V209 HydrophobicContact CB-CG2 3.9Å; C165-V285 CarbonylContact O-C 3.59Å; C165-V285 WeakPolarHBondContact O-CA 3.47Å; C165-T286 PolarHBondContact N-O 2.85Å; C165-T286 PolarHBondContact O-N 2.85Å; C165-L288 HydrophobicContact CB-CD1 3.88Å; C165-L288 HydrophobicContact CB-CG 4.24Å
166	A	97.9	Very high	89.4	Confident	5 Å²	5	54.7 Å²	54.7	4%	0.041	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	163.8	168.3	0	0	0	0	0	111.5	L169 N207 P208 W210 T284 V285	A166-L169 HydrophobicContact CB-CD1 3.77Å; A166-L169 HydrophobicContact CB-CD2 3.87Å; A166-L169 HydrophobicContact CB-CG 3.78Å; A166-N207 CarbonylContact O-C 3.36Å; A166-N207 WeakPolarHBondContact O-CA 3.28Å; A166-P208 HydrophobicContact CB-CG 3.79Å; A166-P208 PolarHBondContact N-O 2.85Å; A166-W210 HydrophobicContact CB-CH2 3.66Å; A166-W210 HydrophobicContact CB-CZ3 3.8Å; A166-T284 CarbonylContact C-O 3.57Å; A166-T284 WeakPolarHBondContact CA-O 3.27Å; A166-T284 WeakPolarHBondContact CB-O 3.46Å; A166-V285 HydrophobicContact CB-CG2 3.89Å
167	N	97.1	Very high	90.8	Very high	72 Å²	72	57.8 Å²	57.8	39%	0.385	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	134.3	-178.5	-177.5	45.7	0	0	0	110	L169 N207 G283 T284	N167-L169 VanDerWaalsContact C-N 3.3Å; N167-L169 PolarHBondContact O-N 3.11Å; N167-N207 WeakPolarHBondContact CA-OD1 3.41Å; N167-N207 PolarHBondContact OD1-OD1 2.65Å; N167-G283 VanDerWaalsContact O-CA 3.32Å; N167-G283 WeakPolarHBondContact O-CA 3.37Å; N167-T284 PolarHBondContact N-O 2.96Å; N167-T284 PolarHBondContact O-N 2.82Å
168	K	96.8	Very high	91.9	Very high	155 Å²	155	54.6 Å²	54.6	67%	0.674	26%	0.261	S	S	*	.	S	Bend	trans	51.7	44.4	177.6	-60.4	176	-179.1	176.3	0	113.3	L206 N207 G283	K168-L206 PolarHBondContact N-O 3.25Å; K168-L206 VanDerWaalsContact N-O 3.13Å; K168-N207 PolarHBondContact N-OD1 2.71Å; K168-G283 WeakPolarHBondContact O-CA 3.45Å
169	L	97.1	Very high	92.4	Very high	4 Å²	4	54 Å²	54	2%	0.021	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-59.1	150.7	172	-65.8	-179	0	0	0	111.2	A166 N167 K171 P180 L206 P208 V233 I245 V267 S282	A166-L169 HydrophobicContact CB-CD1 3.77Å; A166-L169 HydrophobicContact CB-CD2 3.87Å; A166-L169 HydrophobicContact CB-CG 3.78Å; N167-L169 VanDerWaalsContact C-N 3.3Å; N167-L169 PolarHBondContact O-N 3.11Å; L169-K171 PolarHBondContact O-N 3.22Å; L169-P180 HydrophobicContact CD1-CB 3.59Å; L169-P180 HydrophobicContact CD1-CG 3.93Å; L169-L206 HydrophobicContact CB-CB 4.44Å; L169-L206 PolarHBondContact N-O 3.11Å; L169-L206 WeakPolarHBondContact O-CD1 3.24Å; L169-L206 WeakPolarHBondContact O-CD2 3.39Å; L169-P208 HydrophobicContact CD1-CG 3.89Å; L169-V233 HydrophobicContact CD1-CG1 4.05Å; L169-V233 HydrophobicContact CD2-CG1 4.26Å; L169-I245 HydrophobicContact CD2-CG2 4.45Å; L169-V267 HydrophobicContact CD2-CG2 4.26Å; L169-S282 WeakPolarHBondContact CA-O 3.29Å
170	D	93.6	Very high	92.8	Very high	45 Å²	45	54 Å²	54	24%	0.241	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-69	125.4	175.3	-86.5	-21.5	0	0	0	111.1	S178 I245 K272 S282	D170-S178 PolarHBondContact O-OG 3.23Å; D170-I245 HydrophobicContact CB-CG2 4.33Å; D170-K272 IonicContact OD2-NZ 3.88Å; D170-K272 PolarHBondContact OD2-NZ 3.02Å; D170-S282 PolarHBondContact N-O 3.03Å; D170-S282 VanDerWaalsContact OD2-CB 3.31Å; D170-S282 WeakPolarHBondContact OD2-CB 3.23Å; D170-S282 PolarHBondContact OD2-OG 3.02Å; D170-S282 VanDerWaalsContact OD2-OG 3.1Å
171	K	93	Very high	93.1	Very high	109 Å²	109	54.7 Å²	54.7	47%	0.474	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-64.4	130.2	170.6	173.9	177.8	164.9	163.5	0	110.8	L169 D173 G176 S178 L206	L169-K171 PolarHBondContact O-N 3.22Å; K171-D173 WeakPolarHBondContact CE-O 3.17Å; K171-G176 WeakPolarHBondContact CD-O 3.42Å; K171-G176 WeakPolarHBondContact CE-O 3.48Å; K171-G176 PolarHBondContact NZ-O 3.21Å; K171-S178 WeakPolarHBondContact CA-OG 3.17Å; K171-L206 HydrophobicContact CB-CD1 4.31Å; K171-L206 HydrophobicContact CB-CD2 4.02Å
172	K	90.6	Very high	93.3	Very high	51 Å²	51	52.2 Å²	52.2	22%	0.222	25%	0.248	C	C	.	.			trans	-112.1	-35.1	171.5	-43.3	-59.1	-143.6	73	0	114	S178 D235 D243 F244 I245	K172-S178 PolarHBondContact N-OG 2.86Å; K172-D235 HydrophobicContact CB-CB 4.21Å; K172-D235 WeakPolarHBondContact CB-OD2 3.2Å; K172-D235 HydrophobicContact CG-CB 3.97Å; K172-D243 HydrophobicContact CB-CB 4.02Å; K172-D243 WeakPolarHBondContact CB-OD2 3.32Å; K172-D243 HydrophobicContact CG-CB 4.08Å; K172-D243 IonicContact NZ-OD1 3.45Å; K172-F244 WeakPolarHBondContact CE-O 3.33Å; K172-F244 PolarHBondContact NZ-O 2.94Å; K172-I245 HydrophobicContact CG-CG1 4.11Å
173	D	84.4	Confident	93.4	Very high	40 Å²	40	52.4 Å²	52.4	21%	0.214	25%	0.249	C	C	.	.			trans	-61.5	143	176.7	-72	-46.9	0	0	0	115	K171 K177	K171-D173 WeakPolarHBondContact CE-O 3.17Å; D173-K177 VanDerWaalsContact OD2-O 3.13Å
174	F	79.8	Confident	93.4	Very high	177 Å²	177	49.8 Å²	49.8	78%	0.776	24%	0.237	S	C	*	.	S	Bend	trans	-74	-45.6	175.9	-149.8	-97.2	0	0	0	111.6
175	F	79.4	Confident	93.4	Very high	199 Å²	199	51.4 Å²	51.4	87%	0.873	24%	0.243	S	C	*	.	S	Bend	trans	-112.9	65.4	-178.5	-70.3	-77.4	0	0	0	112.4
176	G	85.7	Confident	93.2	Very high	24 Å²	24	52.3 Å²	52.3	25%	0.247	24%	0.243	C	C	.	.	S	Bend	trans	165.6	-168.7	178.8	0	0	0	0	0	112	K171	K171-G176 WeakPolarHBondContact CD-O 3.42Å; K171-G176 WeakPolarHBondContact CE-O 3.48Å; K171-G176 PolarHBondContact NZ-O 3.21Å
177	K	92.5	Very high	93	Very high	97 Å²	97	53.1 Å²	53.1	42%	0.422	25%	0.249	S	C	.	.			trans	-100.2	166.2	151.7	-63.1	169.3	-177.5	171.2	0	107	D173 N204 L206	D173-K177 VanDerWaalsContact OD2-O 3.13Å; K177-N204 WeakPolarHBondContact CB-OD1 3.43Å; K177-N204 PolarHBondContact N-OD1 3.1Å; K177-L206 HydrophobicContact CB-CD2 3.94Å; K177-L206 HydrophobicContact CB-CG 4.06Å; K177-L206 HydrophobicContact CD-CG 4.19Å; K177-L206 HydrophobicContact CG-CD2 4.45Å; K177-L206 HydrophobicContact CG-CG 4.09Å
178	S	93.9	Very high	92.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	24%	0.24	C	C	.	.			trans	-56	158.2	174.6	-65.9	0	0	0	0	113.7	D170 K171 K172 P180 N204 T205 D235	D170-S178 PolarHBondContact O-OG 3.23Å; K171-S178 WeakPolarHBondContact CA-OG 3.17Å; K172-S178 PolarHBondContact N-OG 2.86Å; S178-P180 WeakPolarHBondContact O-CD 3.43Å; S178-N204 CarbonylContact O-C 3.53Å; S178-N204 WeakPolarHBondContact O-CA 3.3Å; S178-N204 PolarHBondContact O-N 3.5Å; S178-T205 PolarHBondContact O-N 3.2Å; S178-D235 VanDerWaalsContact CA-OD1 3.25Å; S178-D235 WeakPolarHBondContact CA-OD1 3.43Å; S178-D235 VanDerWaalsContact CA-OD2 3.31Å; S178-D235 WeakPolarHBondContact CA-OD2 3.4Å; S178-D235 VanDerWaalsContact CB-OD1 3.29Å; S178-D235 WeakPolarHBondContact CB-OD1 3.24Å; S178-D235 WeakPolarHBondContact CB-OD2 3.48Å; S178-D235 VanDerWaalsContact OG-CG 3.3Å; S178-D235 PolarHBondContact OG-OD2 2.98Å
179	D	95.2	Very high	91.8	Very high	27 Å²	27	52.5 Å²	52.5	14%	0.144	25%	0.247	C	C	.	.			trans	-107.2	69.3	170.6	-69.2	-15.4	0	0	0	110.2	V201 V202 K203 N204 D235 W236	D179-V201 HydrophobicContact CB-CG1 3.8Å; D179-V202 CarbonylContact C-O 3.45Å; D179-V202 WeakPolarHBondContact CA-O 3.26Å; D179-K203 WeakPolarHBondContact OD1-CA 3.06Å; D179-K203 WeakPolarHBondContact OD1-CB 3.43Å; D179-N204 PolarHBondContact OD1-N 2.65Å; D179-D235 WeakPolarHBondContact CA-OD1 3.49Å; D179-D235 PolarHBondContact N-OD1 3.17Å; D179-W236 HydrophobicContact CB-CB 4Å; D179-W236 WeakPolarHBondContact O-CB 3.46Å; D179-W236 PolarHBondContact O-N 3.22Å
180	P	97.3	Very high	91.2	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	144.9	-167.4	29	-40.3	0	0	0	115.7	L169 S178 V202 T205 P208 W210 Y234 I245	L169-P180 HydrophobicContact CD1-CB 3.59Å; L169-P180 HydrophobicContact CD1-CG 3.93Å; S178-P180 WeakPolarHBondContact O-CD 3.43Å; P180-V202 WeakPolarHBondContact CD-O 3.29Å; P180-V202 PolarHBondContact O-N 2.96Å; P180-V202 VanDerWaalsContact O-N 3.17Å; P180-T205 VanDerWaalsContact CD-O 3.29Å; P180-T205 WeakPolarHBondContact CD-O 3.46Å; P180-T205 HydrophobicContact CG-CG2 4.17Å; P180-P208 HydrophobicContact CB-CG 4.16Å; P180-P208 HydrophobicContact CG-CB 3.8Å; P180-P208 HydrophobicContact CG-CG 3.52Å; P180-W210 HydrophobicContact CB-CZ2 4.15Å; P180-W210 PolarHBondContact O-NE1 3.37Å; P180-Y234 CarbonylContact C-O 3.56Å; P180-Y234 WeakPolarHBondContact CA-O 3.41Å; P180-I245 HydrophobicContact CB-CD1 4.44Å
181	F	97.9	Very high	90.7	Very high	13 Å²	13	58.7 Å²	58.7	6%	0.057	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	160	167.1	69.4	-80.8	0	0	0	112	V183 E200 V201 Y234 W236 H242	F181-V183 HydrophobicContact CD2-CG2 3.92Å; F181-V183 HydrophobicContact CE2-CG2 3.52Å; F181-E200 WeakPolarHBondContact CB-O 3.37Å; F181-V201 HydrophobicContact CB-CG2 4.16Å; F181-V201 HydrophobicContact CD1-CG2 4.08Å; F181-V201 HydrophobicContact CG-CG2 4.27Å; F181-Y234 HydrophobicContact CE1-CG 4.37Å; F181-Y234 HydrophobicContact CE2-CD2 4.26Å; F181-Y234 HydrophobicContact CE2-CG 4.41Å; F181-Y234 HydrophobicContact CZ-CD2 4.25Å; F181-Y234 AromaticContact CZ-CG 3.95Å; F181-Y234 HydrophobicContact CZ-CG 3.95Å; F181-Y234 PolarHBondContact N-O 2.96Å; F181-Y234 PolarHBondContact O-N 3.37Å; F181-W236 HydrophobicContact CD1-CB 4.1Å; F181-W236 HydrophobicContact CE1-CB 4.08Å; F181-H242 HydrophobicContact CE1-CB 4.22Å; F181-H242 HydrophobicContact CZ-CB 4.2Å; F181-H242 AromaticContact CZ-CD2 3.79Å
182	L	98.4	Very high	90.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	145.6	178.1	-57.8	179	0	0	0	111.5	F164 F184 K198 T199 W210 V231 E232 V233 V285	F164-L182 HydrophobicContact CB-CD1 4.02Å; F164-L182 HydrophobicContact CG-CD1 4.29Å; L182-F184 HydrophobicContact CB-CD2 4.39Å; L182-F184 HydrophobicContact CB-CE2 3.83Å; L182-F184 HydrophobicContact CD1-CE2 4Å; L182-F184 HydrophobicContact CD1-CZ 4.13Å; L182-K198 WeakPolarHBondContact O-CA 3.49Å; L182-T199 HydrophobicContact CB-CG2 3.88Å; L182-T199 HydrophobicContact CD1-CG2 4.34Å; L182-T199 HydrophobicContact CG-CG2 4.37Å; L182-T199 PolarHBondContact N-OG1 3.35Å; L182-T199 PolarHBondContact O-N 3.12Å; L182-T199 VanDerWaalsContact O-N 3.1Å; L182-W210 HydrophobicContact CD1-CD2 4.17Å; L182-W210 HydrophobicContact CD1-CE3 3.75Å; L182-W210 HydrophobicContact CD1-CH2 4.05Å; L182-W210 HydrophobicContact CD1-CZ2 4.45Å; L182-W210 HydrophobicContact CD1-CZ3 3.69Å; L182-W210 HydrophobicContact CD2-CH2 3.58Å; L182-W210 HydrophobicContact CD2-CZ2 3.94Å; L182-W210 HydrophobicContact CD2-CZ3 4.05Å; L182-W210 HydrophobicContact CG-CD2 4.17Å; L182-W210 HydrophobicContact CG-CE3 4.1Å; L182-W210 HydrophobicContact CG-CH2 3.69Å; L182-W210 HydrophobicContact CG-CZ2 3.76Å; L182-W210 HydrophobicContact CG-CZ3 3.87Å; L182-V231 HydrophobicContact CB-CG1 4.25Å; L182-V231 HydrophobicContact CD2-CG1 4.17Å; L182-E232 CarbonylContact C-O 3.57Å; L182-E232 WeakPolarHBondContact CA-O 3.17Å; L182-V233 HydrophobicContact CD2-CB 4.3Å; L182-V233 HydrophobicContact CD2-CG1 4.17Å; L182-V233 HydrophobicContact CD2-CG2 3.69Å; L182-V285 HydrophobicContact CD2-CG2 4.33Å
183	V	97.9	Very high	90.6	Very high	3 Å²	3	57.3 Å²	57.3	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	120.2	169.4	-170.2	0	0	0	0	109.3	F181 Y185 I195 K198 V231 E232 Y234	F181-V183 HydrophobicContact CD2-CG2 3.92Å; F181-V183 HydrophobicContact CE2-CG2 3.52Å; V183-Y185 HydrophobicContact CB-CD2 4.49Å; V183-Y185 HydrophobicContact CB-CE2 3.7Å; V183-Y185 HydrophobicContact CG1-CD2 4.09Å; V183-Y185 HydrophobicContact CG1-CE1 4.37Å; V183-Y185 HydrophobicContact CG1-CE2 3.34Å; V183-Y185 VanDerWaalsContact CG1-CZ 3.49Å; V183-Y185 WeakPolarHBondContact CG1-OH 3.49Å; V183-Y185 WeakPolarHBondContact O-CD2 3.2Å; V183-I195 HydrophobicContact CG1-CD1 4.37Å; V183-I195 HydrophobicContact CG1-CG1 4.18Å; V183-I195 HydrophobicContact CG1-CG2 4.11Å; V183-K198 HydrophobicContact CB-CG 4.48Å; V183-K198 HydrophobicContact CG1-CG 4Å; V183-K198 HydrophobicContact CG2-CD 4.45Å; V183-K198 HydrophobicContact CG2-CG 4.13Å; V183-V231 WeakPolarHBondContact O-CA 3.35Å; V183-E232 PolarHBondContact N-O 3.26Å; V183-E232 PolarHBondContact O-N 2.75Å; V183-Y234 HydrophobicContact CG2-CD2 3.85Å; V183-Y234 HydrophobicContact CG2-CE2 4.04Å
184	F	97.9	Very high	90.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.7	179.1	-71.5	-102.3	0	0	0	110.3	F164 L182 I195 C196 H197 T199 F213 I215 I229 V231	F164-F184 HydrophobicContact CD2-CZ 4.05Å; F164-F184 HydrophobicContact CE2-CE1 4.05Å; F164-F184 AromaticContact CE2-CZ 3.66Å; F164-F184 HydrophobicContact CE2-CZ 3.66Å; F164-F184 HydrophobicContact CZ-CE1 4.05Å; F164-F184 AromaticContact CZ-CZ 3.98Å; F164-F184 HydrophobicContact CZ-CZ 3.98Å; L182-F184 HydrophobicContact CB-CD2 4.39Å; L182-F184 HydrophobicContact CB-CE2 3.83Å; L182-F184 HydrophobicContact CD1-CE2 4Å; L182-F184 HydrophobicContact CD1-CZ 4.13Å; F184-I195 WeakPolarHBondContact O-CA 3.26Å; F184-C196 HydrophobicContact CB-CB 4.41Å; F184-C196 PolarHBondContact O-N 3.38Å; F184-H197 HydrophobicContact CB-CB 4.28Å; F184-H197 HydrophobicContact CD2-CB 4.43Å; F184-H197 PolarHBondContact N-O 2.85Å; F184-T199 HydrophobicContact CE2-CG2 4.39Å; F184-F213 HydrophobicContact CD2-CZ 4.31Å; F184-F213 HydrophobicContact CE1-CZ 4.38Å; F184-F213 HydrophobicContact CE2-CE1 4.24Å; F184-F213 HydrophobicContact CE2-CE2 4.1Å; F184-F213 AromaticContact CE2-CZ 3.49Å; F184-F213 HydrophobicContact CE2-CZ 3.49Å; F184-F213 VanDerWaalsContact CE2-CZ 3.49Å; F184-F213 HydrophobicContact CZ-CE1 4.46Å; F184-F213 HydrophobicContact CZ-CE2 4.27Å; F184-F213 AromaticContact CZ-CZ 3.55Å; F184-F213 HydrophobicContact CZ-CZ 3.55Å; F184-I215 HydrophobicContact CB-CD1 4.43Å; F184-I215 HydrophobicContact CG-CD1 4.3Å; F184-I229 HydrophobicContact CD1-CG2 4.19Å; F184-V231 HydrophobicContact CD1-CG1 4.49Å; F184-V231 HydrophobicContact CD1-CG2 3.58Å; F184-V231 HydrophobicContact CE1-CG1 4.24Å; F184-V231 HydrophobicContact CE1-CG2 3.56Å; F184-V231 HydrophobicContact CE2-CG1 4.29Å; F184-V231 HydrophobicContact CG-CG2 4.31Å; F184-V231 HydrophobicContact CZ-CG1 4.12Å; F184-V231 HydrophobicContact CZ-CG2 4.26Å
185	Y	96.7	Very high	91.4	Very high	34 Å²	34	53.6 Å²	53.6	13%	0.133	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	138.1	178	-61.3	-99.7	0	0	0	111.3	V183 F193 T194 I195 I229 K230 E232	V183-Y185 HydrophobicContact CB-CD2 4.49Å; V183-Y185 HydrophobicContact CB-CE2 3.7Å; V183-Y185 HydrophobicContact CG1-CD2 4.09Å; V183-Y185 HydrophobicContact CG1-CE1 4.37Å; V183-Y185 HydrophobicContact CG1-CE2 3.34Å; V183-Y185 VanDerWaalsContact CG1-CZ 3.49Å; V183-Y185 WeakPolarHBondContact CG1-OH 3.49Å; V183-Y185 WeakPolarHBondContact O-CD2 3.2Å; Y185-F193 HydrophobicContact CD1-CB 3.99Å; Y185-F193 HydrophobicContact CG-CB 4.36Å; Y185-T194 CarbonylContact C-O 3.52Å; Y185-T194 WeakPolarHBondContact CA-O 3.49Å; Y185-I195 HydrophobicContact CD1-CG1 3.68Å; Y185-I195 HydrophobicContact CE1-CB 4.46Å; Y185-I195 HydrophobicContact CE1-CD1 4.01Å; Y185-I195 HydrophobicContact CE1-CG1 3.24Å; Y185-I229 CarbonylContact O-C 3.45Å; Y185-I229 VanDerWaalsContact O-CA 3.28Å; Y185-I229 WeakPolarHBondContact O-CA 3.31Å; Y185-K230 PolarHBondContact N-O 3.35Å; Y185-K230 PolarHBondContact O-N 2.78Å; Y185-E232 HydrophobicContact CD2-CG 4.26Å; Y185-E232 HydrophobicContact CE2-CB 4.12Å; Y185-E232 HydrophobicContact CE2-CG 3.8Å; Y185-E232 WeakPolarHBondContact CE2-OE2 3.49Å; Y185-E232 PolarHBondContact OH-OE2 3.23Å
186	R	94.3	Very high	92	Very high	44 Å²	44	45.4 Å²	45.4	17%	0.166	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.6	168	179	-165.6	69.5	-144.2	-1.6	109.9	N188 F193 T194 C196 R218 A219 L220 R227	R186-N188 PolarHBondContact NH2-OD1 3.12Å; R186-F193 WeakPolarHBondContact O-CA 3.25Å; R186-T194 PolarHBondContact N-O 3.19Å; R186-T194 PolarHBondContact O-N 3.41Å; R186-C196 WeakPolarHBondContact CB-SG 3.45Å; R186-C196 PolarHBondContact N-SG 3.03Å; R186-R218 PolarHBondContact NH1-O 2.84Å; R186-A219 WeakPolarHBondContact CD-O 3.37Å; R186-A219 PolarHBondContact NH1-O 2.98Å; R186-L220 WeakPolarHBondContact CB-O 3.22Å; R186-L220 WeakPolarHBondContact CG-O 3.03Å; R186-R227 HydrophobicContact CG-CG 4.28Å
187	S	93.2	Very high	92.5	Very high	22 Å²	22	46.6 Å²	46.6	15%	0.154	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.2	169.6	65.3	0	0	0	0	112.2	S192 R227 T228	S187-S192 CarbonylContact C-O 3.58Å; S187-S192 WeakPolarHBondContact CA-O 3.41Å; S187-R227 VanDerWaalsContact O-CD 3.28Å; S187-R227 WeakPolarHBondContact O-CD 3.2Å; S187-R227 PolarHBondContact O-NH1 3.35Å; S187-R227 VanDerWaalsContact OG-CG 3.29Å; S187-R227 WeakPolarHBondContact OG-CG 3.38Å; S187-T228 PolarHBondContact N-O 2.77Å; S187-T228 PolarHBondContact OG-N 2.9Å; S187-T228 PolarHBondContact OG-O 3.29Å
188	N	86.8	Confident	92.7	Very high	38 Å²	38	47.7 Å²	47.7	20%	0.203	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-95.9	167.6	173.8	-65.1	-32.7	0	0	0	110.6	R186 D190 G191 S192 T194	R186-N188 PolarHBondContact NH2-OD1 3.12Å; N188-D190 WeakPolarHBondContact CB-OD1 3.42Å; N188-D190 PolarHBondContact O-N 3.33Å; N188-G191 PolarHBondContact O-N 3.44Å; N188-S192 WeakPolarHBondContact CB-OG 3.45Å; N188-S192 PolarHBondContact N-O 2.69Å; N188-S192 PolarHBondContact ND2-OG 3.16Å; N188-T194 PolarHBondContact ND2-OG1 3.12Å; N188-T194 PolarHBondContact OD1-OG1 3.03Å
189	E	81.8	Confident	92.9	Very high	176 Å²	176	48.2 Å²	48.2	82%	0.822	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-27.7	-178.3	-68.1	176.6	-175.1	0	0	113	G191	E189-G191 PolarHBondContact O-N 3.14Å
190	D	84.4	Confident	93	Very high	126 Å²	126	50.3 Å²	50.3	67%	0.674	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	3.5	174.2	67.9	-9.7	0	0	0	113.3	N188 S192	N188-D190 WeakPolarHBondContact CB-OD1 3.42Å; N188-D190 PolarHBondContact O-N 3.33Å; D190-S192 VanDerWaalsContact C-N 3.25Å; D190-S192 VanDerWaalsContact CG-OG 3.28Å; D190-S192 PolarHBondContact O-N 3.13Å; D190-S192 VanDerWaalsContact OD1-CB 3.25Å; D190-S192 WeakPolarHBondContact OD1-CB 3.27Å; D190-S192 PolarHBondContact OD1-N 2.77Å; D190-S192 PolarHBondContact OD1-OG 2.78Å; D190-S192 PolarHBondContact OD2-OG 2.56Å
191	G	83.8	Confident	93	Very high	53 Å²	53	52.6 Å²	52.6	55%	0.546	28%	0.279	S	S	.	.	S	Bend	trans	79.1	0.3	-177.2	0	0	0	0	0	114.7	N188 E189	N188-G191 PolarHBondContact O-N 3.44Å; E189-G191 PolarHBondContact O-N 3.14Å
192	S	90.3	Very high	92.9	Very high	47 Å²	47	53.6 Å²	53.6	33%	0.329	29%	0.286	S	S	.	.			trans	-74.3	170.4	172.1	72.4	0	0	0	0	111.6	S187 N188 D190	S187-S192 CarbonylContact C-O 3.58Å; S187-S192 WeakPolarHBondContact CA-O 3.41Å; N188-S192 WeakPolarHBondContact CB-OG 3.45Å; N188-S192 PolarHBondContact N-O 2.69Å; N188-S192 PolarHBondContact ND2-OG 3.16Å; D190-S192 VanDerWaalsContact C-N 3.25Å; D190-S192 VanDerWaalsContact CG-OG 3.28Å; D190-S192 PolarHBondContact O-N 3.13Å; D190-S192 VanDerWaalsContact OD1-CB 3.25Å; D190-S192 WeakPolarHBondContact OD1-CB 3.27Å; D190-S192 PolarHBondContact OD1-N 2.77Å; D190-S192 PolarHBondContact OD1-OG 2.78Å; D190-S192 PolarHBondContact OD2-OG 2.56Å
193	F	91.6	Very high	92.7	Very high	84 Å²	84	60.8 Å²	60.8	37%	0.368	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136	179.5	-76.5	-85.6	0	0	0	111	Y185 R186 K230	Y185-F193 HydrophobicContact CD1-CB 3.99Å; Y185-F193 HydrophobicContact CG-CB 4.36Å; R186-F193 WeakPolarHBondContact O-CA 3.25Å; F193-K230 HydrophobicContact CD1-CB 4.03Å; F193-K230 HydrophobicContact CE1-CB 3.64Å; F193-K230 HydrophobicContact CE1-CD 4.5Å; F193-K230 HydrophobicContact CZ-CB 4.29Å; F193-K230 HydrophobicContact CZ-CD 4.47Å
194	T	89.6	Confident	92.6	Very high	56 Å²	56	65.2 Å²	65.2	34%	0.344	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	134.6	175.3	-50.5	0	0	0	0	109.7	Y185 R186 N188 C196	Y185-T194 CarbonylContact C-O 3.52Å; Y185-T194 WeakPolarHBondContact CA-O 3.49Å; R186-T194 PolarHBondContact N-O 3.19Å; R186-T194 PolarHBondContact O-N 3.41Å; N188-T194 PolarHBondContact ND2-OG1 3.12Å; N188-T194 PolarHBondContact OD1-OG1 3.03Å; T194-C196 PolarHBondContact O-N 3.4Å
195	I	91.5	Very high	92.5	Very high	82 Å²	82	66.4 Å²	66.4	42%	0.421	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	129.4	174.6	-64.5	172	0	0	0	109.4	V183 F184 Y185 K198	V183-I195 HydrophobicContact CG1-CD1 4.37Å; V183-I195 HydrophobicContact CG1-CG1 4.18Å; V183-I195 HydrophobicContact CG1-CG2 4.11Å; F184-I195 WeakPolarHBondContact O-CA 3.26Å; Y185-I195 HydrophobicContact CD1-CG1 3.68Å; Y185-I195 HydrophobicContact CE1-CB 4.46Å; Y185-I195 HydrophobicContact CE1-CD1 4.01Å; Y185-I195 HydrophobicContact CE1-CG1 3.24Å; I195-K198 HydrophobicContact CG2-CG 4.43Å
196	C	91.8	Very high	92.5	Very high	28 Å²	28	66.4 Å²	66.4	19%	0.189	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-35.2	176.4	-52.2	0	0	0	0	112	F184 R186 T194 I215 A219	F184-C196 HydrophobicContact CB-CB 4.41Å; F184-C196 PolarHBondContact O-N 3.38Å; R186-C196 WeakPolarHBondContact CB-SG 3.45Å; R186-C196 PolarHBondContact N-SG 3.03Å; T194-C196 PolarHBondContact O-N 3.4Å; C196-I215 HydrophobicContact CB-CG2 4.4Å; C196-A219 PolarHBondContact SG-O 3.41Å
197	H	95.9	Very high	92.6	Very high	48 Å²	48	67.8 Å²	67.8	22%	0.222	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	154.8	-175	-170.1	75.3	0	0	0	112.1	F184 F213 I215	F184-H197 HydrophobicContact CB-CB 4.28Å; F184-H197 HydrophobicContact CD2-CB 4.43Å; F184-H197 PolarHBondContact N-O 2.85Å; H197-F213 AromaticContact CD2-CD2 3.43Å; H197-F213 VanDerWaalsContact CD2-CD2 3.43Å; H197-F213 WeakPolarHBondContact CD2-CD2 3.45Å; H197-F213 AromaticContact CD2-CE2 3.77Å; H197-F213 AromaticContact CD2-CG 3.77Å; H197-F213 WeakPolarHBondContact NE2-CB 3.48Å; H197-F213 AromaticContact NE2-CD2 3.43Å; H197-F213 WeakPolarHBondContact NE2-CD2 3.25Å; H197-F213 AromaticContact NE2-CG 3.33Å; H197-F213 VanDerWaalsContact NE2-CG 3.33Å; H197-F213 WeakPolarHBondContact NE2-CG 3.23Å; H197-I215 HydrophobicContact CB-CD1 3.39Å; H197-I215 HydrophobicContact CB-CG1 3.85Å
198	K	96.7	Very high	92.9	Very high	120 Å²	120	66.8 Å²	66.8	52%	0.522	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.8	168.8	-66.1	-173.7	178.4	-179.1	0	109	L182 V183 I195	L182-K198 WeakPolarHBondContact O-CA 3.49Å; V183-K198 HydrophobicContact CB-CG 4.48Å; V183-K198 HydrophobicContact CG1-CG 4Å; V183-K198 HydrophobicContact CG2-CD 4.45Å; V183-K198 HydrophobicContact CG2-CG 4.13Å; I195-K198 HydrophobicContact CG2-CG 4.43Å
199	T	97.9	Very high	93.4	Very high	12 Å²	12	68.9 Å²	68.9	7%	0.074	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-75.5	171.5	174.8	64.6	0	0	0	0	111	L182 F184 W210 F213	L182-T199 HydrophobicContact CB-CG2 3.88Å; L182-T199 HydrophobicContact CD1-CG2 4.34Å; L182-T199 HydrophobicContact CG-CG2 4.37Å; L182-T199 PolarHBondContact N-OG1 3.35Å; L182-T199 PolarHBondContact O-N 3.12Å; L182-T199 VanDerWaalsContact O-N 3.1Å; F184-T199 HydrophobicContact CE2-CG2 4.39Å; T199-W210 HydrophobicContact CG2-CB 4.4Å; T199-W210 HydrophobicContact CG2-CG 4.29Å; T199-W210 PolarHBondContact OG1-NE1 3.16Å; T199-F213 HydrophobicContact CG2-CD1 3.92Å; T199-F213 HydrophobicContact CG2-CE1 3.7Å; T199-F213 HydrophobicContact CG2-CZ 4.4Å
200	E	97.1	Very high	94.2	Very high	71 Å²	71	60.5 Å²	60.5	33%	0.332	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-65.1	161.4	164.9	80.9	-72.7	-176.2	0	0	112.1	F181 V202 W210 Q211	F181-E200 WeakPolarHBondContact CB-O 3.37Å; E200-V202 HydrophobicContact CG-CG2 4.44Å; E200-W210 VanDerWaalsContact O-CD1 3.27Å; E200-W210 PolarHBondContact O-NE1 3.14Å; E200-W210 WeakPolarHBondContact OE1-CA 3.17Å; E200-Q211 PolarHBondContact OE1-N 3.35Å
201	V	97.2	Very high	94.8	Very high	48 Å²	48	60.9 Å²	60.9	29%	0.291	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-87.8	123.1	173.9	176.6	0	0	0	0	109.1	D179 F181 K203 W236	D179-V201 HydrophobicContact CB-CG1 3.8Å; F181-V201 HydrophobicContact CB-CG2 4.16Å; F181-V201 HydrophobicContact CD1-CG2 4.08Å; F181-V201 HydrophobicContact CG-CG2 4.27Å; V201-K203 HydrophobicContact CG1-CG 4.49Å; V201-W236 HydrophobicContact CB-CB 4.46Å; V201-W236 HydrophobicContact CG1-CB 3.63Å; V201-W236 HydrophobicContact CG1-CG 4.04Å; V201-W236 HydrophobicContact CG2-CB 3.92Å; V201-W236 HydrophobicContact CG2-CG 3.88Å
202	V	96.8	Very high	95.4	Very high	34 Å²	34	60.7 Å²	60.7	21%	0.206	32%	0.32	C	S	.	.			trans	-102	112.1	176.2	-174	0	0	0	0	109.1	D179 P180 E200 T205 P208 W210	D179-V202 CarbonylContact C-O 3.45Å; D179-V202 WeakPolarHBondContact CA-O 3.26Å; P180-V202 WeakPolarHBondContact CD-O 3.29Å; P180-V202 PolarHBondContact O-N 2.96Å; P180-V202 VanDerWaalsContact O-N 3.17Å; E200-V202 HydrophobicContact CG-CG2 4.44Å; V202-T205 HydrophobicContact CB-CG2 4.17Å; V202-T205 HydrophobicContact CG1-CG2 3.6Å; V202-P208 HydrophobicContact CB-CB 3.89Å; V202-P208 HydrophobicContact CG1-CB 4.14Å; V202-P208 HydrophobicContact CG2-CB 4.08Å; V202-W210 HydrophobicContact CG2-CG 4.36Å
203	K	94.4	Very high	95.6	Very high	151 Å²	151	59.2 Å²	59.2	66%	0.657	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	144.6	-169.5	-62.5	-174.1	178.1	-177.6	0	114.4	D179 V201 T205	D179-K203 WeakPolarHBondContact OD1-CA 3.06Å; D179-K203 WeakPolarHBondContact OD1-CB 3.43Å; V201-K203 HydrophobicContact CG1-CG 4.49Å; K203-T205 PolarHBondContact O-N 2.78Å
204	N	94.2	Very high	95.6	Very high	95 Å²	95	59.2 Å²	59.2	51%	0.508	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	50.2	167	-169.2	22.7	0	0	0	113.4	K177 S178 D179	K177-N204 WeakPolarHBondContact CB-OD1 3.43Å; K177-N204 PolarHBondContact N-OD1 3.1Å; S178-N204 CarbonylContact O-C 3.53Å; S178-N204 WeakPolarHBondContact O-CA 3.3Å; S178-N204 PolarHBondContact O-N 3.5Å; D179-N204 PolarHBondContact OD1-N 2.65Å
205	T	96.5	Very high	95.6	Very high	25 Å²	25	56.9 Å²	56.9	15%	0.153	29%	0.293	C	S	.	.			trans	-145.9	147.2	179.5	-170.9	0	0	0	0	112.9	S178 P180 V202 K203 N207 P208	S178-T205 PolarHBondContact O-N 3.2Å; P180-T205 VanDerWaalsContact CD-O 3.29Å; P180-T205 WeakPolarHBondContact CD-O 3.46Å; P180-T205 HydrophobicContact CG-CG2 4.17Å; V202-T205 HydrophobicContact CB-CG2 4.17Å; V202-T205 HydrophobicContact CG1-CG2 3.6Å; K203-T205 PolarHBondContact O-N 2.78Å; T205-N207 PolarHBondContact OG1-N 3.35Å; T205-N207 VanDerWaalsContact OG1-N 3.07Å; T205-P208 HydrophobicContact CG2-CB 3.88Å
206	L	96.4	Very high	95.5	Very high	35 Å²	35	55.1 Å²	55.1	18%	0.183	29%	0.288	C	S	.	.	S	Bend	trans	-103.6	0.4	169.1	-53.7	-179.3	0	0	0	111.7	K168 L169 K171 K177 P208	K168-L206 PolarHBondContact N-O 3.25Å; K168-L206 VanDerWaalsContact N-O 3.13Å; L169-L206 HydrophobicContact CB-CB 4.44Å; L169-L206 PolarHBondContact N-O 3.11Å; L169-L206 WeakPolarHBondContact O-CD1 3.24Å; L169-L206 WeakPolarHBondContact O-CD2 3.39Å; K171-L206 HydrophobicContact CB-CD1 4.31Å; K171-L206 HydrophobicContact CB-CD2 4.02Å; K177-L206 HydrophobicContact CB-CD2 3.94Å; K177-L206 HydrophobicContact CB-CG 4.06Å; K177-L206 HydrophobicContact CD-CG 4.19Å; K177-L206 HydrophobicContact CG-CD2 4.45Å; K177-L206 HydrophobicContact CG-CG 4.09Å; L206-P208 VanDerWaalsContact C-CD 3.46Å
207	N	97.8	Very high	95.3	Very high	72 Å²	72	53.8 Å²	53.8	39%	0.385	28%	0.279	S	S	.	.	S	Bend	trans	-132.8	60.5	-179.2	-44	-70.6	0	0	0	109.9	A166 N167 K168 T205	A166-N207 CarbonylContact O-C 3.36Å; A166-N207 WeakPolarHBondContact O-CA 3.28Å; N167-N207 WeakPolarHBondContact CA-OD1 3.41Å; N167-N207 PolarHBondContact OD1-OD1 2.65Å; K168-N207 PolarHBondContact N-OD1 2.71Å; T205-N207 PolarHBondContact OG1-N 3.35Å; T205-N207 VanDerWaalsContact OG1-N 3.07Å
208	P	97.8	Very high	94.8	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	29%	0.291	C	S	.	.			trans	-65.3	147.2	-179.4	30.7	-38.8	0	0	0	111.5	C165 A166 L169 P180 V202 T205 L206 W210	C165-P208 CarbonylContact C-O 3.54Å; C165-P208 WeakPolarHBondContact CA-O 3.29Å; C165-P208 VanDerWaalsContact CB-O 3.31Å; C165-P208 WeakPolarHBondContact CB-O 3.35Å; A166-P208 HydrophobicContact CB-CG 3.79Å; A166-P208 PolarHBondContact N-O 2.85Å; L169-P208 HydrophobicContact CD1-CG 3.89Å; P180-P208 HydrophobicContact CB-CG 4.16Å; P180-P208 HydrophobicContact CG-CB 3.8Å; P180-P208 HydrophobicContact CG-CG 3.52Å; V202-P208 HydrophobicContact CB-CB 3.89Å; V202-P208 HydrophobicContact CG1-CB 4.14Å; V202-P208 HydrophobicContact CG2-CB 4.08Å; T205-P208 HydrophobicContact CG2-CB 3.88Å; L206-P208 VanDerWaalsContact C-CD 3.46Å; P208-W210 HydrophobicContact CB-CD2 4.3Å; P208-W210 HydrophobicContact CB-CH2 4.24Å; P208-W210 HydrophobicContact CB-CZ2 3.87Å; P208-W210 HydrophobicContact CG-CD2 4.45Å; P208-W210 HydrophobicContact CG-CE3 4.43Å; P208-W210 HydrophobicContact CG-CH2 3.39Å; P208-W210 HydrophobicContact CG-CZ2 3.37Å; P208-W210 HydrophobicContact CG-CZ3 3.94Å
209	V	97.9	Very high	94.4	Very high	82 Å²	82	53.1 Å²	53.1	50%	0.497	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-117.7	113.8	160.8	-178.7	0	0	0	0	105.2	C165 L288	C165-V209 HydrophobicContact CB-CB 4.37Å; C165-V209 HydrophobicContact CB-CG1 4.48Å; C165-V209 HydrophobicContact CB-CG2 3.9Å; V209-L288 HydrophobicContact CG1-CD1 4.07Å
210	W	98.3	Very high	94	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-82.2	154.8	178	-63.2	-80.7	0	0	0	110.2	Q163 F164 A166 P180 L182 T199 E200 V202 P208	Q163-W210 VanDerWaalsContact CG-O 3.3Å; Q163-W210 WeakPolarHBondContact CG-O 3.44Å; Q163-W210 PolarHBondContact NE2-O 3.12Å; F164-W210 HydrophobicContact CB-CE3 3.97Å; F164-W210 HydrophobicContact CB-CZ3 4.38Å; F164-W210 PolarHBondContact O-N 2.85Å; A166-W210 HydrophobicContact CB-CH2 3.66Å; A166-W210 HydrophobicContact CB-CZ3 3.8Å; P180-W210 HydrophobicContact CB-CZ2 4.15Å; P180-W210 PolarHBondContact O-NE1 3.37Å; L182-W210 HydrophobicContact CD1-CD2 4.17Å; L182-W210 HydrophobicContact CD1-CE3 3.75Å; L182-W210 HydrophobicContact CD1-CH2 4.05Å; L182-W210 HydrophobicContact CD1-CZ2 4.45Å; L182-W210 HydrophobicContact CD1-CZ3 3.69Å; L182-W210 HydrophobicContact CD2-CH2 3.58Å; L182-W210 HydrophobicContact CD2-CZ2 3.94Å; L182-W210 HydrophobicContact CD2-CZ3 4.05Å; L182-W210 HydrophobicContact CG-CD2 4.17Å; L182-W210 HydrophobicContact CG-CE3 4.1Å; L182-W210 HydrophobicContact CG-CH2 3.69Å; L182-W210 HydrophobicContact CG-CZ2 3.76Å; L182-W210 HydrophobicContact CG-CZ3 3.87Å; T199-W210 HydrophobicContact CG2-CB 4.4Å; T199-W210 HydrophobicContact CG2-CG 4.29Å; T199-W210 PolarHBondContact OG1-NE1 3.16Å; E200-W210 VanDerWaalsContact O-CD1 3.27Å; E200-W210 PolarHBondContact O-NE1 3.14Å; E200-W210 WeakPolarHBondContact OE1-CA 3.17Å; V202-W210 HydrophobicContact CG2-CG 4.36Å; P208-W210 HydrophobicContact CB-CD2 4.3Å; P208-W210 HydrophobicContact CB-CH2 4.24Å; P208-W210 HydrophobicContact CB-CZ2 3.87Å; P208-W210 HydrophobicContact CG-CD2 4.45Å; P208-W210 HydrophobicContact CG-CE3 4.43Å; P208-W210 HydrophobicContact CG-CH2 3.39Å; P208-W210 HydrophobicContact CG-CZ2 3.37Å; P208-W210 HydrophobicContact CG-CZ3 3.94Å
211	Q	97.3	Very high	93.6	Very high	135 Å²	135	49.1 Å²	49.1	63%	0.631	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-61.1	151.5	171	-66.1	-59.8	-37	0	0	110	E200 F213	E200-Q211 PolarHBondContact OE1-N 3.35Å; Q211-F213 PolarHBondContact O-N 3.12Å
212	A	95.9	Very high	92.9	Very high	49 Å²	49	50.4 Å²	50.4	41%	0.405	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-64.6	136.9	172	0	0	0	0	0	109.4	L161 M162 Q163	L161-A212 HydrophobicContact CD1-CB 4.03Å; L161-A212 HydrophobicContact CG-CB 4.47Å; M162-A212 CarbonylContact O-C 3.58Å; M162-A212 VanDerWaalsContact O-CA 3.31Å; M162-A212 WeakPolarHBondContact O-CA 3.39Å; Q163-A212 HydrophobicContact CB-CB 4.13Å; Q163-A212 HydrophobicContact CG-CB 4.43Å
213	F	95	Very high	92	Very high	16 Å²	16	50.9 Å²	50.9	7%	0.07	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.4	-178.8	61.9	-95.1	0	0	0	111	L161 M162 F164 F184 H197 T199 Q211 I215	L161-F213 WeakPolarHBondContact CA-O 3.47Å; M162-F213 HydrophobicContact CB-CE2 4.46Å; M162-F213 HydrophobicContact CB-CZ 4.39Å; M162-F213 HydrophobicContact CE-CE2 3.83Å; M162-F213 HydrophobicContact CE-CZ 4.32Å; M162-F213 PolarHBondContact N-O 2.83Å; M162-F213 PolarHBondContact O-N 3.29Å; F164-F213 AromaticContact CD2-CE1 3.81Å; F164-F213 HydrophobicContact CD2-CE1 3.81Å; F164-F213 AromaticContact CD2-CZ 3.71Å; F164-F213 HydrophobicContact CD2-CZ 3.71Å; F164-F213 HydrophobicContact CE2-CE1 4.33Å; F164-F213 AromaticContact CE2-CZ 3.76Å; F164-F213 HydrophobicContact CE2-CZ 3.76Å; F184-F213 HydrophobicContact CD2-CZ 4.31Å; F184-F213 HydrophobicContact CE1-CZ 4.38Å; F184-F213 HydrophobicContact CE2-CE1 4.24Å; F184-F213 HydrophobicContact CE2-CE2 4.1Å; F184-F213 AromaticContact CE2-CZ 3.49Å; F184-F213 HydrophobicContact CE2-CZ 3.49Å; F184-F213 VanDerWaalsContact CE2-CZ 3.49Å; F184-F213 HydrophobicContact CZ-CE1 4.46Å; F184-F213 HydrophobicContact CZ-CE2 4.27Å; F184-F213 AromaticContact CZ-CZ 3.55Å; F184-F213 HydrophobicContact CZ-CZ 3.55Å; H197-F213 AromaticContact CD2-CD2 3.43Å; H197-F213 VanDerWaalsContact CD2-CD2 3.43Å; H197-F213 WeakPolarHBondContact CD2-CD2 3.45Å; H197-F213 AromaticContact CD2-CE2 3.77Å; H197-F213 AromaticContact CD2-CG 3.77Å; H197-F213 WeakPolarHBondContact NE2-CB 3.48Å; H197-F213 AromaticContact NE2-CD2 3.43Å; H197-F213 WeakPolarHBondContact NE2-CD2 3.25Å; H197-F213 AromaticContact NE2-CG 3.33Å; H197-F213 VanDerWaalsContact NE2-CG 3.33Å; H197-F213 WeakPolarHBondContact NE2-CG 3.23Å; T199-F213 HydrophobicContact CG2-CD1 3.92Å; T199-F213 HydrophobicContact CG2-CE1 3.7Å; T199-F213 HydrophobicContact CG2-CZ 4.4Å; Q211-F213 PolarHBondContact O-N 3.12Å; F213-I215 HydrophobicContact CD2-CD1 4.06Å; F213-I215 HydrophobicContact CD2-CG1 3.85Å; F213-I215 HydrophobicContact CE2-CD1 3.61Å; F213-I215 HydrophobicContact CE2-CG1 3.9Å
214	K	91.4	Very high	91.7	Very high	84 Å²	84	47 Å²	47	37%	0.365	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.7	-176	-166.6	178	-174.2	-171.3	0	110.7	A159 V160 E293 E295	A159-K214 HydrophobicContact CB-CD 4.18Å; A159-K214 HydrophobicContact CB-CG 3.92Å; V160-K214 WeakPolarHBondContact O-CA 3.24Å; K214-E293 IonicContact NZ-OE2 3.12Å; K214-E295 WeakPolarHBondContact CE-OE1 3.36Å; K214-E295 IonicContact NZ-OE1 3.9Å; K214-E295 PolarHBondContact NZ-OE1 2.7Å
215	I	90.7	Very high	91.6	Very high	7 Å²	7	46.4 Å²	46.4	4%	0.036	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.3	171.3	-51	-178.8	0	0	0	108.5	A159 V160 M162 F184 C196 H197 F213 A219 L220	A159-I215 WeakPolarHBondContact CA-O 3.45Å; V160-I215 HydrophobicContact CG2-CB 4.35Å; V160-I215 WeakPolarHBondContact CG2-O 3.47Å; V160-I215 PolarHBondContact N-O 3.25Å; V160-I215 PolarHBondContact O-N 2.89Å; M162-I215 HydrophobicContact CE-CD1 4.07Å; M162-I215 HydrophobicContact CE-CG1 4.48Å; F184-I215 HydrophobicContact CB-CD1 4.43Å; F184-I215 HydrophobicContact CG-CD1 4.3Å; C196-I215 HydrophobicContact CB-CG2 4.4Å; H197-I215 HydrophobicContact CB-CD1 3.39Å; H197-I215 HydrophobicContact CB-CG1 3.85Å; F213-I215 HydrophobicContact CD2-CD1 4.06Å; F213-I215 HydrophobicContact CD2-CG1 3.85Å; F213-I215 HydrophobicContact CE2-CD1 3.61Å; F213-I215 HydrophobicContact CE2-CG1 3.9Å; I215-A219 HydrophobicContact CG2-CB 4.03Å; I215-L220 HydrophobicContact CD1-CD1 4.22Å; I215-L220 HydrophobicContact CG2-CB 3.95Å; I215-L220 HydrophobicContact CG2-CD1 4.38Å
216	S	88.3	Confident	91.5	Very high	45 Å²	45	49.5 Å²	49.5	32%	0.315	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	142.5	172.8	70	0	0	0	0	111	R218 A219 L220	S216-R218 PolarHBondContact O-N 2.56Å; S216-A219 PolarHBondContact O-N 3.4Å; S216-A219 VanDerWaalsContact OG-CB 3.22Å; S216-A219 WeakPolarHBondContact OG-CB 3.28Å; S216-A219 PolarHBondContact OG-N 3.39Å; S216-A219 VanDerWaalsContact OG-N 3.11Å; S216-L220 WeakPolarHBondContact O-CB 3.44Å; S216-L220 PolarHBondContact O-N 3.14Å
217	V	88.3	Confident	91.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-33.3	177.9	171	0	0	0	0	110.5	C156 D158 V160 L220 C221 N222 Y225 Y252	C156-V217 VanDerWaalsContact SG-CB 3.58Å; D158-V217 HydrophobicContact CB-CB 4.33Å; D158-V217 HydrophobicContact CB-CG2 3.71Å; D158-V217 VanDerWaalsContact O-CB 3.3Å; D158-V217 WeakPolarHBondContact O-CB 3.49Å; D158-V217 VanDerWaalsContact O-CG2 3.27Å; D158-V217 WeakPolarHBondContact O-CG2 3.44Å; D158-V217 PolarHBondContact O-N 3.01Å; V160-V217 HydrophobicContact CG1-CG2 4.11Å; V217-L220 PolarHBondContact O-N 3.49Å; V217-C221 PolarHBondContact O-N 3.39Å; V217-C221 PolarHBondContact O-SG 3.14Å; V217-N222 PolarHBondContact O-N 2.99Å; V217-Y225 HydrophobicContact CG1-CD1 4.45Å; V217-Y225 HydrophobicContact CG1-CE1 3.75Å; V217-Y252 HydrophobicContact CG1-CD2 4.46Å; V217-Y252 HydrophobicContact CG1-CE2 4.3Å; V217-Y252 HydrophobicContact CG2-CD2 4.27Å; V217-Y252 HydrophobicContact CG2-CE2 3.62Å
218	R	85.4	Confident	91.3	Very high	125 Å²	125	48.7 Å²	48.7	47%	0.472	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-47.5	172.1	-172.7	178.8	-179.7	-172.4	-2	112.9	C155 R186 S216 L220 N222	C155-R218 VanDerWaalsContact SG-CZ 3.59Å; C155-R218 PolarHBondContact SG-NH1 3.42Å; R186-R218 PolarHBondContact NH1-O 2.84Å; S216-R218 PolarHBondContact O-N 2.56Å; R218-L220 VanDerWaalsContact C-N 3.31Å; R218-L220 PolarHBondContact O-N 2.92Å; R218-N222 WeakPolarHBondContact O-CA 3.3Å; R218-N222 PolarHBondContact O-N 3.42Å
219	A	87.1	Confident	91.3	Very high	28 Å²	28	48.6 Å²	48.6	23%	0.231	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-41.1	177.5	0	0	0	0	0	111	R186 C196 I215 S216	R186-A219 WeakPolarHBondContact CD-O 3.37Å; R186-A219 PolarHBondContact NH1-O 2.98Å; C196-A219 PolarHBondContact SG-O 3.41Å; I215-A219 HydrophobicContact CG2-CB 4.03Å; S216-A219 PolarHBondContact O-N 3.4Å; S216-A219 VanDerWaalsContact OG-CB 3.22Å; S216-A219 WeakPolarHBondContact OG-CB 3.28Å; S216-A219 PolarHBondContact OG-N 3.39Å; S216-A219 VanDerWaalsContact OG-N 3.11Å
220	L	90.4	Very high	91.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-72	-43.2	-174.9	-169.6	62.2	0	0	0	113.2	V160 M162 R186 I215 S216 V217 R218 I229 Y252	V160-L220 HydrophobicContact CG2-CD2 3.66Å; M162-L220 HydrophobicContact CE-CD2 4.35Å; R186-L220 WeakPolarHBondContact CB-O 3.22Å; R186-L220 WeakPolarHBondContact CG-O 3.03Å; I215-L220 HydrophobicContact CD1-CD1 4.22Å; I215-L220 HydrophobicContact CG2-CB 3.95Å; I215-L220 HydrophobicContact CG2-CD1 4.38Å; S216-L220 WeakPolarHBondContact O-CB 3.44Å; S216-L220 PolarHBondContact O-N 3.14Å; V217-L220 PolarHBondContact O-N 3.49Å; R218-L220 VanDerWaalsContact C-N 3.31Å; R218-L220 PolarHBondContact O-N 2.92Å; L220-I229 HydrophobicContact CD1-CD1 3.71Å; L220-I229 HydrophobicContact CD1-CG1 4.08Å; L220-I229 HydrophobicContact CD1-CG2 4.05Å; L220-I229 HydrophobicContact CD2-CD1 3.96Å; L220-I229 HydrophobicContact CG-CD1 3.55Å; L220-I229 HydrophobicContact CG-CG1 4.19Å; L220-Y252 HydrophobicContact CD2-CD2 4.36Å
221	C	89	Confident	91.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-145.1	-1.3	-172	71.7	0	0	0	0	115.2	V217 G223 D224 R227	V217-C221 PolarHBondContact O-N 3.39Å; V217-C221 PolarHBondContact O-SG 3.14Å; C221-G223 PolarHBondContact O-N 2.9Å; C221-D224 VanDerWaalsContact CB-O 3.28Å; C221-D224 WeakPolarHBondContact CB-O 3.48Å; C221-D224 PolarHBondContact O-N 2.89Å; C221-D224 VanDerWaalsContact O-N 3.09Å; C221-R227 HydrophobicContact CB-CB 4.23Å; C221-R227 VanDerWaalsContact O-CD 3.31Å; C221-R227 WeakPolarHBondContact O-CD 3.13Å; C221-R227 PolarHBondContact O-NE 2.91Å
222	N	82.6	Confident	91.4	Very high	75 Å²	75	40.6 Å²	40.6	40%	0.401	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	37.1	177.2	-161.5	52.2	0	0	0	113.9	V217 R218 D224	V217-N222 PolarHBondContact O-N 2.99Å; R218-N222 WeakPolarHBondContact O-CA 3.3Å; R218-N222 PolarHBondContact O-N 3.42Å; N222-D224 PolarHBondContact O-N 3.29Å
223	G	78.1	Confident	91.5	Very high	44 Å²	44	38.2 Å²	38.2	45%	0.454	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	-11.2	179.7	0	0	0	0	0	115.1	C221 Y225	C221-G223 PolarHBondContact O-N 2.9Å; G223-Y225 PolarHBondContact O-N 2.92Å
224	D	86.9	Confident	91.6	Very high	68 Å²	68	39.7 Å²	39.7	36%	0.364	21%	0.206	S	C	.	.			trans	-91.3	97.7	173.2	173.9	5.5	0	0	0	109.6	C221 N222 D226 R227	C221-D224 VanDerWaalsContact CB-O 3.28Å; C221-D224 WeakPolarHBondContact CB-O 3.48Å; C221-D224 PolarHBondContact O-N 2.89Å; C221-D224 VanDerWaalsContact O-N 3.09Å; N222-D224 PolarHBondContact O-N 3.29Å; D224-D226 PolarHBondContact O-N 3.04Å; D224-D226 VanDerWaalsContact O-N 3.13Å; D224-D226 PolarHBondContact OD1-N 3.32Å; D224-D226 VanDerWaalsContact OD1-N 3.14Å; D224-R227 HydrophobicContact CB-CB 3.98Å; D224-R227 WeakPolarHBondContact O-CB 3.36Å; D224-R227 PolarHBondContact O-N 3.04Å; D224-R227 PolarHBondContact OD1-N 3.14Å; D224-R227 IonicContact OD2-NE 2.53Å
225	Y	92.8	Very high	91.8	Very high	84 Å²	84	35.7 Å²	35.7	33%	0.329	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-13.2	-173.4	-64.3	-11.5	0	0	0	114.5	V217 G223 Y252 R253	V217-Y225 HydrophobicContact CG1-CD1 4.45Å; V217-Y225 HydrophobicContact CG1-CE1 3.75Å; G223-Y225 PolarHBondContact O-N 2.92Å; Y225-Y252 AromaticContact CD1-CD1 3.68Å; Y225-Y252 HydrophobicContact CD1-CD1 3.68Å; Y225-Y252 HydrophobicContact CD1-CE1 4.06Å; Y225-Y252 HydrophobicContact CD1-CG 4.17Å; Y225-Y252 HydrophobicContact CD2-CD1 4.08Å; Y225-Y252 HydrophobicContact CD2-CE1 4.07Å; Y225-Y252 HydrophobicContact CE1-CD1 4.27Å; Y225-Y252 HydrophobicContact CE1-CE1 4.21Å; Y225-Y252 HydrophobicContact CE2-CE1 4.21Å; Y225-Y252 AromaticContact CG-CD1 3.58Å; Y225-Y252 HydrophobicContact CG-CD1 3.58Å; Y225-Y252 AromaticContact CG-CE1 3.99Å; Y225-Y252 HydrophobicContact CG-CE1 3.99Å; Y225-Y252 HydrophobicContact CG-CG 4.42Å; Y225-Y252 PolarHBondContact O-N 3.1Å; Y225-R253 WeakPolarHBondContact O-CB 3.38Å; Y225-R253 PolarHBondContact O-N 3.49Å
226	D	94.6	Very high	92	Very high	89 Å²	89	39.5 Å²	39.5	48%	0.476	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-3.8	176.5	-66	-67.4	0	0	0	112.2	D224 T228 R253	D224-D226 PolarHBondContact O-N 3.04Å; D224-D226 VanDerWaalsContact O-N 3.13Å; D224-D226 PolarHBondContact OD1-N 3.32Å; D224-D226 VanDerWaalsContact OD1-N 3.14Å; D226-T228 PolarHBondContact O-N 2.72Å; D226-R253 VanDerWaalsContact CG-NE 3.32Å; D226-R253 VanDerWaalsContact OD1-CD 3.29Å; D226-R253 WeakPolarHBondContact OD1-CD 3.02Å; D226-R253 IonicContact OD1-CZ 2.82Å; D226-R253 IonicContact OD1-NE 3.54Å; D226-R253 PolarHBondContact OD1-NE 3.47Å; D226-R253 IonicContact OD1-NH2 3.33Å; D226-R253 IonicContact OD2-CZ 3.23Å; D226-R253 IonicContact OD2-NE 2.68Å; D226-R253 PolarHBondContact OD2-NE 3.43Å; D226-R253 VanDerWaalsContact OD2-NE 3.12Å; D226-R253 IonicContact OD2-NH2 3.16Å; D226-R253 PolarHBondContact OD2-NH2 3.1Å
227	R	93.4	Very high	91.9	Very high	30 Å²	30	38.9 Å²	38.9	11%	0.113	20%	0.195	C	C	.	.	S	Bend	trans	-56	136.7	176.2	-170.8	167.8	-73.2	-128.4	5.7	111.3	R186 S187 C221 D224 I229	R186-R227 HydrophobicContact CG-CG 4.28Å; S187-R227 VanDerWaalsContact O-CD 3.28Å; S187-R227 WeakPolarHBondContact O-CD 3.2Å; S187-R227 PolarHBondContact O-NH1 3.35Å; S187-R227 VanDerWaalsContact OG-CG 3.29Å; S187-R227 WeakPolarHBondContact OG-CG 3.38Å; C221-R227 HydrophobicContact CB-CB 4.23Å; C221-R227 VanDerWaalsContact O-CD 3.31Å; C221-R227 WeakPolarHBondContact O-CD 3.13Å; C221-R227 PolarHBondContact O-NE 2.91Å; D224-R227 HydrophobicContact CB-CB 3.98Å; D224-R227 WeakPolarHBondContact O-CB 3.36Å; D224-R227 PolarHBondContact O-N 3.04Å; D224-R227 PolarHBondContact OD1-N 3.14Å; D224-R227 IonicContact OD2-NE 2.53Å; R227-I229 PolarHBondContact O-N 2.98Å
228	T	96.8	Very high	91.4	Very high	60 Å²	60	50 Å²	50	37%	0.368	24%	0.237	S	C	.	.			trans	-69	125.3	-178.8	-61.3	0	0	0	0	110.8	S187 D226 T249	S187-T228 PolarHBondContact N-O 2.77Å; S187-T228 PolarHBondContact OG-N 2.9Å; S187-T228 PolarHBondContact OG-O 3.29Å; D226-T228 PolarHBondContact O-N 2.72Å; T228-T249 HydrophobicContact CG2-CG2 4.03Å
229	I	97.8	Very high	91.2	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.2	168.9	-59.2	160.8	0	0	0	106.6	F184 Y185 L220 R227 V231 T249 T250 L255	F184-I229 HydrophobicContact CD1-CG2 4.19Å; Y185-I229 CarbonylContact O-C 3.45Å; Y185-I229 VanDerWaalsContact O-CA 3.28Å; Y185-I229 WeakPolarHBondContact O-CA 3.31Å; L220-I229 HydrophobicContact CD1-CD1 3.71Å; L220-I229 HydrophobicContact CD1-CG1 4.08Å; L220-I229 HydrophobicContact CD1-CG2 4.05Å; L220-I229 HydrophobicContact CD2-CD1 3.96Å; L220-I229 HydrophobicContact CG-CD1 3.55Å; L220-I229 HydrophobicContact CG-CG1 4.19Å; R227-I229 PolarHBondContact O-N 2.98Å; I229-V231 HydrophobicContact CG2-CG2 4.25Å; I229-T249 CarbonylContact O-C 3.5Å; I229-T249 VanDerWaalsContact O-CA 3.28Å; I229-T249 WeakPolarHBondContact O-CA 3.03Å; I229-T250 HydrophobicContact CB-CG2 4Å; I229-T250 HydrophobicContact CG2-CG2 4.25Å; I229-T250 PolarHBondContact N-O 2.86Å; I229-T250 PolarHBondContact O-N 3.44Å; I229-L255 HydrophobicContact CD1-CD1 3.93Å
230	K	97.9	Very high	90.7	Very high	33 Å²	33	51 Å²	51	14%	0.143	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.5	172.9	-179.9	177.7	61.6	150.5	0	109	Y185 F193 E232 T249	Y185-K230 PolarHBondContact N-O 3.35Å; Y185-K230 PolarHBondContact O-N 2.78Å; F193-K230 HydrophobicContact CD1-CB 4.03Å; F193-K230 HydrophobicContact CE1-CB 3.64Å; F193-K230 HydrophobicContact CE1-CD 4.5Å; F193-K230 HydrophobicContact CZ-CB 4.29Å; F193-K230 HydrophobicContact CZ-CD 4.47Å; K230-E232 HydrophobicContact CD-CG 4.44Å; K230-E232 WeakPolarHBondContact CE-OE1 3.32Å; K230-E232 HydrophobicContact CG-CG 4.41Å; K230-E232 IonicContact NZ-OE1 2.77Å; K230-E232 PolarHBondContact NZ-OE1 3.39Å; K230-T249 HydrophobicContact CB-CG2 4.33Å; K230-T249 HydrophobicContact CG-CG2 4.42Å
231	V	98.3	Very high	90.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.5	176	-172.7	0	0	0	0	108.4	L182 V183 F184 I229 E247 F248	L182-V231 HydrophobicContact CB-CG1 4.25Å; L182-V231 HydrophobicContact CD2-CG1 4.17Å; V183-V231 WeakPolarHBondContact O-CA 3.35Å; F184-V231 HydrophobicContact CD1-CG1 4.49Å; F184-V231 HydrophobicContact CD1-CG2 3.58Å; F184-V231 HydrophobicContact CE1-CG1 4.24Å; F184-V231 HydrophobicContact CE1-CG2 3.56Å; F184-V231 HydrophobicContact CE2-CG1 4.29Å; F184-V231 HydrophobicContact CG-CG2 4.31Å; F184-V231 HydrophobicContact CZ-CG1 4.12Å; F184-V231 HydrophobicContact CZ-CG2 4.26Å; I229-V231 HydrophobicContact CG2-CG2 4.25Å; V231-E247 CarbonylContact O-C 3.58Å; V231-E247 VanDerWaalsContact O-CA 3.22Å; V231-E247 WeakPolarHBondContact O-CA 3.41Å; V231-F248 HydrophobicContact CB-CD1 4.08Å; V231-F248 HydrophobicContact CB-CD2 4.29Å; V231-F248 HydrophobicContact CB-CE1 3.56Å; V231-F248 HydrophobicContact CB-CE2 3.8Å; V231-F248 HydrophobicContact CB-CG 4.42Å; V231-F248 HydrophobicContact CB-CZ 3.42Å; V231-F248 VanDerWaalsContact CB-CZ 3.42Å; V231-F248 HydrophobicContact CG1-CD1 4.5Å; V231-F248 HydrophobicContact CG1-CE1 3.63Å; V231-F248 HydrophobicContact CG1-CE2 4.48Å; V231-F248 HydrophobicContact CG1-CZ 3.64Å; V231-F248 HydrophobicContact CG2-CD2 4.42Å; V231-F248 HydrophobicContact CG2-CE1 4.32Å; V231-F248 HydrophobicContact CG2-CE2 3.71Å; V231-F248 HydrophobicContact CG2-CZ 3.67Å; V231-F248 PolarHBondContact N-O 3.43Å; V231-F248 PolarHBondContact O-N 2.92Å
232	E	98.3	Very high	90.4	Very high	15 Å²	15	57.6 Å²	57.6	7%	0.07	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	140.4	176.8	-63.9	-178.4	174.7	0	0	109.8	L182 V183 Y185 K230 Y234 F244 E247	L182-E232 CarbonylContact C-O 3.57Å; L182-E232 WeakPolarHBondContact CA-O 3.17Å; V183-E232 PolarHBondContact N-O 3.26Å; V183-E232 PolarHBondContact O-N 2.75Å; Y185-E232 HydrophobicContact CD2-CG 4.26Å; Y185-E232 HydrophobicContact CE2-CB 4.12Å; Y185-E232 HydrophobicContact CE2-CG 3.8Å; Y185-E232 WeakPolarHBondContact CE2-OE2 3.49Å; Y185-E232 PolarHBondContact OH-OE2 3.23Å; K230-E232 HydrophobicContact CD-CG 4.44Å; K230-E232 WeakPolarHBondContact CE-OE1 3.32Å; K230-E232 HydrophobicContact CG-CG 4.41Å; K230-E232 IonicContact NZ-OE1 2.77Å; K230-E232 PolarHBondContact NZ-OE1 3.39Å; E232-Y234 HydrophobicContact CB-CD2 4.09Å; E232-Y234 HydrophobicContact CB-CE2 3.46Å; E232-Y234 VanDerWaalsContact CB-CE2 3.46Å; E232-Y234 HydrophobicContact CG-CE2 4.41Å; E232-Y234 WeakPolarHBondContact OE2-CE2 3.32Å; E232-Y234 VanDerWaalsContact OE2-CZ 3.26Å; E232-Y234 PolarHBondContact OE2-OH 3.1Å; E232-F244 HydrophobicContact CB-CE2 4.07Å; E232-F244 HydrophobicContact CG-CE2 4.08Å; E232-E247 HydrophobicContact CG-CB 4.13Å
233	V	98.3	Very high	90.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.6	177.5	-166.3	0	0	0	0	107.9	L169 L182 I245 G246 V267 V285	L169-V233 HydrophobicContact CD1-CG1 4.05Å; L169-V233 HydrophobicContact CD2-CG1 4.26Å; L182-V233 HydrophobicContact CD2-CB 4.3Å; L182-V233 HydrophobicContact CD2-CG1 4.17Å; L182-V233 HydrophobicContact CD2-CG2 3.69Å; V233-I245 HydrophobicContact CB-CB 4.21Å; V233-I245 HydrophobicContact CG1-CB 4.23Å; V233-I245 HydrophobicContact CG1-CD1 4.15Å; V233-I245 HydrophobicContact CG1-CG2 4.46Å; V233-I245 WeakPolarHBondContact O-CA 3.35Å; V233-I245 WeakPolarHBondContact O-CB 3.35Å; V233-I245 PolarHBondContact O-N 2.8Å; V233-G246 PolarHBondContact N-O 2.75Å; V233-G246 PolarHBondContact O-N 2.82Å; V233-V267 HydrophobicContact CB-CG1 4.27Å; V233-V267 HydrophobicContact CG2-CG1 3.85Å; V233-V267 HydrophobicContact CG2-CG2 4.06Å; V233-V285 HydrophobicContact CG2-CG2 4.12Å
234	Y	97.5	Very high	91.7	Very high	46 Å²	46	57.7 Å²	57.7	18%	0.18	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	153.6	-178.9	-74.6	-87	0	0	0	111.1	P180 F181 V183 E232 H242 F244	P180-Y234 CarbonylContact C-O 3.56Å; P180-Y234 WeakPolarHBondContact CA-O 3.41Å; F181-Y234 HydrophobicContact CE1-CG 4.37Å; F181-Y234 HydrophobicContact CE2-CD2 4.26Å; F181-Y234 HydrophobicContact CE2-CG 4.41Å; F181-Y234 HydrophobicContact CZ-CD2 4.25Å; F181-Y234 AromaticContact CZ-CG 3.95Å; F181-Y234 HydrophobicContact CZ-CG 3.95Å; F181-Y234 PolarHBondContact N-O 2.96Å; F181-Y234 PolarHBondContact O-N 3.37Å; V183-Y234 HydrophobicContact CG2-CD2 3.85Å; V183-Y234 HydrophobicContact CG2-CE2 4.04Å; E232-Y234 HydrophobicContact CB-CD2 4.09Å; E232-Y234 HydrophobicContact CB-CE2 3.46Å; E232-Y234 VanDerWaalsContact CB-CE2 3.46Å; E232-Y234 HydrophobicContact CG-CE2 4.41Å; E232-Y234 WeakPolarHBondContact OE2-CE2 3.32Å; E232-Y234 VanDerWaalsContact OE2-CZ 3.26Å; E232-Y234 PolarHBondContact OE2-OH 3.1Å; Y234-H242 HydrophobicContact CD1-CB 4.16Å; Y234-F244 HydrophobicContact CD1-CB 4.19Å; Y234-F244 HydrophobicContact CD1-CD2 4.3Å; Y234-F244 HydrophobicContact CE1-CB 3.88Å; Y234-F244 AromaticContact CE1-CD2 3.75Å; Y234-F244 HydrophobicContact CE1-CD2 3.75Å; Y234-F244 HydrophobicContact CE1-CG 4.31Å; Y234-F244 HydrophobicContact CE2-CD2 4.32Å; Y234-F244 AromaticContact CZ-CD2 3.75Å
235	D	94.9	Very high	92.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.1	163.7	-159.9	-1.4	0	0	0	109	K172 S178 D179 D237 H242 D243 I245	K172-D235 HydrophobicContact CB-CB 4.21Å; K172-D235 WeakPolarHBondContact CB-OD2 3.2Å; K172-D235 HydrophobicContact CG-CB 3.97Å; S178-D235 VanDerWaalsContact CA-OD1 3.25Å; S178-D235 WeakPolarHBondContact CA-OD1 3.43Å; S178-D235 VanDerWaalsContact CA-OD2 3.31Å; S178-D235 WeakPolarHBondContact CA-OD2 3.4Å; S178-D235 VanDerWaalsContact CB-OD1 3.29Å; S178-D235 WeakPolarHBondContact CB-OD1 3.24Å; S178-D235 WeakPolarHBondContact CB-OD2 3.48Å; S178-D235 VanDerWaalsContact OG-CG 3.3Å; S178-D235 PolarHBondContact OG-OD2 2.98Å; D179-D235 WeakPolarHBondContact CA-OD1 3.49Å; D179-D235 PolarHBondContact N-OD1 3.17Å; D235-D237 PolarHBondContact O-N 3.07Å; D235-H242 CarbonylContact O-C 3.58Å; D235-H242 VanDerWaalsContact O-CA 3.26Å; D235-H242 WeakPolarHBondContact O-CA 3.19Å; D235-H242 VanDerWaalsContact O-CB 3.29Å; D235-H242 WeakPolarHBondContact O-CB 3.38Å; D235-D243 HydrophobicContact CB-CB 3.8Å; D235-D243 PolarHBondContact N-O 3.2Å; D235-D243 PolarHBondContact O-N 3.36Å; D235-I245 HydrophobicContact CB-CD1 4.16Å; D235-I245 HydrophobicContact CB-CG1 4.29Å
236	W	94.4	Very high	92.4	Very high	87 Å²	87	50.4 Å²	50.4	33%	0.33	25%	0.254	S	S	.	.			trans	-81.8	113.3	-177.4	-179	88.7	0	0	0	111.7	D179 F181 V201 R238 H242	D179-W236 HydrophobicContact CB-CB 4Å; D179-W236 WeakPolarHBondContact O-CB 3.46Å; D179-W236 PolarHBondContact O-N 3.22Å; F181-W236 HydrophobicContact CD1-CB 4.1Å; F181-W236 HydrophobicContact CE1-CB 4.08Å; V201-W236 HydrophobicContact CB-CB 4.46Å; V201-W236 HydrophobicContact CG1-CB 3.63Å; V201-W236 HydrophobicContact CG1-CG 4.04Å; V201-W236 HydrophobicContact CG2-CB 3.92Å; V201-W236 HydrophobicContact CG2-CG 3.88Å; W236-R238 HydrophobicContact CH2-CB 3.82Å; W236-R238 HydrophobicContact CH2-CG 3.97Å; W236-R238 HydrophobicContact CZ3-CB 4.07Å; W236-H242 AromaticContact CD1-CE1 3.13Å; W236-H242 AromaticContact CD1-ND1 3.63Å; W236-H242 AromaticContact CD1-NE2 3.78Å; W236-H242 AromaticContact CG-CE1 3.88Å; W236-H242 AromaticContact NE1-CE1 3.32Å; W236-H242 PolarHBondContact NE1-CE1 3.37Å; W236-H242 VanDerWaalsContact NE1-CE1 3.32Å
237	D	86.8	Confident	92.6	Very high	32 Å²	32	48.9 Å²	48.9	17%	0.171	24%	0.244	C	C	.	.			trans	-97.4	143.6	167.5	-61.6	-70.7	0	0	0	114.2	D235 D239 G240 H242 D243	D235-D237 PolarHBondContact O-N 3.07Å; D237-D239 VanDerWaalsContact C-N 3.26Å; D237-D239 WeakPolarHBondContact CB-OD1 3.36Å; D237-D239 PolarHBondContact O-N 2.99Å; D237-G240 PolarHBondContact O-N 2.95Å; D237-G240 VanDerWaalsContact O-N 3.16Å; D237-H242 PolarHBondContact N-ND1 3.34Å; D237-H242 PolarHBondContact O-CE1 3.39Å; D237-H242 PolarHBondContact O-ND1 3.15Å; D237-H242 WeakPolarHBondContact OD2-CA 3.34Å; D237-D243 PolarHBondContact OD2-N 3.08Å
238	R	78.8	Confident	92.8	Very high	234 Å²	234	48.2 Å²	48.2	88%	0.883	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.6	-177.3	-169.2	175.7	-174	-166.7	2.2	114.2	W236 G240	W236-R238 HydrophobicContact CH2-CB 3.82Å; W236-R238 HydrophobicContact CH2-CG 3.97Å; W236-R238 HydrophobicContact CZ3-CB 4.07Å; R238-G240 VanDerWaalsContact C-N 3.29Å
239	D	79.6	Confident	92.8	Very high	124 Å²	124	49.5 Å²	49.5	66%	0.663	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.3	179.6	66.8	3.1	0	0	0	113.4	D237 S241	D237-D239 VanDerWaalsContact C-N 3.26Å; D237-D239 WeakPolarHBondContact CB-OD1 3.36Å; D237-D239 PolarHBondContact O-N 2.99Å; D239-S241 VanDerWaalsContact C-N 3.31Å; D239-S241 WeakPolarHBondContact OD1-CB 3.48Å; D239-S241 PolarHBondContact OD1-N 3.31Å; D239-S241 PolarHBondContact OD1-OG 2.78Å; D239-S241 PolarHBondContact OD2-OG 2.74Å; D239-S241 VanDerWaalsContact OD2-OG 3.11Å
240	G	76.4	Confident	92.8	Very high	50 Å²	50	50.2 Å²	50.2	52%	0.515	25%	0.254	S	S	.	.	S	Bend	trans	84	-1.4	-178.8	0	0	0	0	0	114.4	D237 R238 H242	D237-G240 PolarHBondContact O-N 2.95Å; D237-G240 VanDerWaalsContact O-N 3.16Å; R238-G240 VanDerWaalsContact C-N 3.29Å; G240-H242 PolarHBondContact O-N 3.44Å; G240-H242 VanDerWaalsContact O-N 3.12Å
241	S	84.1	Confident	92.7	Very high	76 Å²	76	49.2 Å²	49.2	53%	0.531	25%	0.251	S	S	.	.			trans	-87.4	45.5	178.9	71.7	0	0	0	0	113.2	D239 D243	D239-S241 VanDerWaalsContact C-N 3.31Å; D239-S241 WeakPolarHBondContact OD1-CB 3.48Å; D239-S241 PolarHBondContact OD1-N 3.31Å; D239-S241 PolarHBondContact OD1-OG 2.78Å; D239-S241 PolarHBondContact OD2-OG 2.74Å; D239-S241 VanDerWaalsContact OD2-OG 3.11Å; S241-D243 PolarHBondContact O-N 3.5Å
242	H	89.2	Confident	92.5	Very high	62 Å²	62	50.1 Å²	50.1	29%	0.287	26%	0.255	S	S	.	.			trans	-44.6	125.3	-172.2	-55.3	-39	0	0	0	113.9	F181 Y234 D235 W236 D237 G240 F244	F181-H242 HydrophobicContact CE1-CB 4.22Å; F181-H242 HydrophobicContact CZ-CB 4.2Å; F181-H242 AromaticContact CZ-CD2 3.79Å; Y234-H242 HydrophobicContact CD1-CB 4.16Å; D235-H242 CarbonylContact O-C 3.58Å; D235-H242 VanDerWaalsContact O-CA 3.26Å; D235-H242 WeakPolarHBondContact O-CA 3.19Å; D235-H242 VanDerWaalsContact O-CB 3.29Å; D235-H242 WeakPolarHBondContact O-CB 3.38Å; W236-H242 AromaticContact CD1-CE1 3.13Å; W236-H242 AromaticContact CD1-ND1 3.63Å; W236-H242 AromaticContact CD1-NE2 3.78Å; W236-H242 AromaticContact CG-CE1 3.88Å; W236-H242 AromaticContact NE1-CE1 3.32Å; W236-H242 PolarHBondContact NE1-CE1 3.37Å; W236-H242 VanDerWaalsContact NE1-CE1 3.32Å; D237-H242 PolarHBondContact N-ND1 3.34Å; D237-H242 PolarHBondContact O-CE1 3.39Å; D237-H242 PolarHBondContact O-ND1 3.15Å; D237-H242 WeakPolarHBondContact OD2-CA 3.34Å; G240-H242 PolarHBondContact O-N 3.44Å; G240-H242 VanDerWaalsContact O-N 3.12Å; H242-F244 PolarHBondContact O-N 3.08Å
243	D	92.1	Very high	92.3	Very high	69 Å²	69	55 Å²	55	37%	0.369	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	115.3	-172	-121.3	-24.1	0	0	0	112.6	K172 D235 D237 S241 I245	K172-D243 HydrophobicContact CB-CB 4.02Å; K172-D243 WeakPolarHBondContact CB-OD2 3.32Å; K172-D243 HydrophobicContact CG-CB 4.08Å; K172-D243 IonicContact NZ-OD1 3.45Å; D235-D243 HydrophobicContact CB-CB 3.8Å; D235-D243 PolarHBondContact N-O 3.2Å; D235-D243 PolarHBondContact O-N 3.36Å; D237-D243 PolarHBondContact OD2-N 3.08Å; S241-D243 PolarHBondContact O-N 3.5Å; D243-I245 PolarHBondContact O-N 3.37Å
244	F	96.3	Very high	92.1	Very high	52 Å²	52	57.9 Å²	57.9	23%	0.228	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	119	-179.1	-179.8	-106.9	0	0	0	112.2	K172 E232 Y234 H242 G246 E247 N269	K172-F244 WeakPolarHBondContact CE-O 3.33Å; K172-F244 PolarHBondContact NZ-O 2.94Å; E232-F244 HydrophobicContact CB-CE2 4.07Å; E232-F244 HydrophobicContact CG-CE2 4.08Å; Y234-F244 HydrophobicContact CD1-CB 4.19Å; Y234-F244 HydrophobicContact CD1-CD2 4.3Å; Y234-F244 HydrophobicContact CE1-CB 3.88Å; Y234-F244 AromaticContact CE1-CD2 3.75Å; Y234-F244 HydrophobicContact CE1-CD2 3.75Å; Y234-F244 HydrophobicContact CE1-CG 4.31Å; Y234-F244 HydrophobicContact CE2-CD2 4.32Å; Y234-F244 AromaticContact CZ-CD2 3.75Å; H242-F244 PolarHBondContact O-N 3.08Å; F244-G246 WeakPolarHBondContact CE2-O 3.25Å; F244-G246 VanDerWaalsContact CZ-CA 3.43Å; F244-E247 HydrophobicContact CE2-CB 4.28Å; F244-E247 HydrophobicContact CZ-CB 3.89Å; F244-E247 HydrophobicContact CZ-CG 4.09Å; F244-N269 PolarHBondContact O-ND2 2.96Å
245	I	96.9	Very high	92	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-56.1	176.7	-64.2	174.3	0	0	0	109.4	L169 D170 K172 P180 V233 D235 D243 V267 N269	L169-I245 HydrophobicContact CD2-CG2 4.45Å; D170-I245 HydrophobicContact CB-CG2 4.33Å; K172-I245 HydrophobicContact CG-CG1 4.11Å; P180-I245 HydrophobicContact CB-CD1 4.44Å; V233-I245 HydrophobicContact CB-CB 4.21Å; V233-I245 HydrophobicContact CG1-CB 4.23Å; V233-I245 HydrophobicContact CG1-CD1 4.15Å; V233-I245 HydrophobicContact CG1-CG2 4.46Å; V233-I245 WeakPolarHBondContact O-CA 3.35Å; V233-I245 WeakPolarHBondContact O-CB 3.35Å; V233-I245 PolarHBondContact O-N 2.8Å; D235-I245 HydrophobicContact CB-CD1 4.16Å; D235-I245 HydrophobicContact CB-CG1 4.29Å; D243-I245 PolarHBondContact O-N 3.37Å; I245-V267 HydrophobicContact CG2-CG1 4.33Å; I245-N269 VanDerWaalsContact O-CB 3.32Å; I245-N269 WeakPolarHBondContact O-CB 3.35Å; I245-N269 PolarHBondContact O-ND2 3.46Å
246	G	97.8	Very high	92	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-174.3	177.1	0	0	0	0	0	112.3	V233 F244 V268	V233-G246 PolarHBondContact N-O 2.75Å; V233-G246 PolarHBondContact O-N 2.82Å; F244-G246 WeakPolarHBondContact CE2-O 3.25Å; F244-G246 VanDerWaalsContact CZ-CA 3.43Å; G246-V268 CarbonylContact C-O 3.53Å; G246-V268 VanDerWaalsContact CA-O 3.28Å; G246-V268 WeakPolarHBondContact CA-O 3.2Å
247	E	98.2	Very high	91.8	Very high	57 Å²	57	60.3 Å²	60.3	27%	0.266	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	162.1	-177.1	64.3	-175.2	-172.2	0	0	111.9	V231 E232 F244 V268 P270	V231-E247 CarbonylContact O-C 3.58Å; V231-E247 VanDerWaalsContact O-CA 3.22Å; V231-E247 WeakPolarHBondContact O-CA 3.41Å; E232-E247 HydrophobicContact CG-CB 4.13Å; F244-E247 HydrophobicContact CE2-CB 4.28Å; F244-E247 HydrophobicContact CZ-CB 3.89Å; F244-E247 HydrophobicContact CZ-CG 4.09Å; E247-V268 PolarHBondContact N-O 3.48Å; E247-V268 PolarHBondContact O-N 2.82Å; E247-P270 WeakPolarHBondContact OE1-CG 3.37Å
248	F	97.9	Very high	91.9	Very high	15 Å²	15	59.5 Å²	59.5	7%	0.066	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	167.3	165.6	65.9	-87.9	0	0	0	110.1	V231 T250 Y265 V285	V231-F248 HydrophobicContact CB-CD1 4.08Å; V231-F248 HydrophobicContact CB-CD2 4.29Å; V231-F248 HydrophobicContact CB-CE1 3.56Å; V231-F248 HydrophobicContact CB-CE2 3.8Å; V231-F248 HydrophobicContact CB-CG 4.42Å; V231-F248 HydrophobicContact CB-CZ 3.42Å; V231-F248 VanDerWaalsContact CB-CZ 3.42Å; V231-F248 HydrophobicContact CG1-CD1 4.5Å; V231-F248 HydrophobicContact CG1-CE1 3.63Å; V231-F248 HydrophobicContact CG1-CE2 4.48Å; V231-F248 HydrophobicContact CG1-CZ 3.64Å; V231-F248 HydrophobicContact CG2-CD2 4.42Å; V231-F248 HydrophobicContact CG2-CE1 4.32Å; V231-F248 HydrophobicContact CG2-CE2 3.71Å; V231-F248 HydrophobicContact CG2-CZ 3.67Å; V231-F248 PolarHBondContact N-O 3.43Å; V231-F248 PolarHBondContact O-N 2.92Å; F248-T250 HydrophobicContact CE2-CG2 4.49Å; F248-Y265 VanDerWaalsContact CD2-CB 3.44Å; F248-Y265 AromaticContact CD2-CD1 3.7Å; F248-Y265 HydrophobicContact CD2-CD1 3.7Å; F248-Y265 AromaticContact CD2-CD2 3.76Å; F248-Y265 HydrophobicContact CD2-CD2 3.76Å; F248-Y265 HydrophobicContact CD2-CE1 4.4Å; F248-Y265 HydrophobicContact CD2-CE2 4.41Å; F248-Y265 AromaticContact CD2-CG 3.33Å; F248-Y265 HydrophobicContact CD2-CG 3.33Å; F248-Y265 HydrophobicContact CE2-CD1 4.03Å; F248-Y265 AromaticContact CE2-CD2 3.28Å; F248-Y265 HydrophobicContact CE2-CD2 3.28Å; F248-Y265 HydrophobicContact CE2-CE1 4.45Å; F248-Y265 AromaticContact CE2-CE2 3.76Å; F248-Y265 HydrophobicContact CE2-CE2 3.76Å; F248-Y265 AromaticContact CE2-CG 3.42Å; F248-Y265 HydrophobicContact CE2-CG 3.42Å; F248-Y265 VanDerWaalsContact CE2-CG 3.42Å; F248-Y265 AromaticContact CG-CG 3.99Å; F248-Y265 HydrophobicContact CG-CG 3.99Å; F248-Y265 AromaticContact CZ-CD2 3.76Å; F248-Y265 HydrophobicContact CZ-CD2 3.76Å; F248-Y265 HydrophobicContact CZ-CE2 4.4Å; F248-Y265 HydrophobicContact CZ-CG 4.14Å; F248-V285 HydrophobicContact CD1-CB 4.48Å; F248-V285 HydrophobicContact CE1-CB 3.72Å; F248-V285 HydrophobicContact CE1-CG1 3.83Å; F248-V285 HydrophobicContact CE1-CG2 3.95Å; F248-V285 HydrophobicContact CZ-CB 4.13Å; F248-V285 HydrophobicContact CZ-CG1 3.81Å
249	T	97.4	Very high	92.2	Very high	88 Å²	88	55 Å²	55	54%	0.54	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.4	176.7	55.7	0	0	0	0	110.8	T228 I229 K230	T228-T249 HydrophobicContact CG2-CG2 4.03Å; I229-T249 CarbonylContact O-C 3.5Å; I229-T249 VanDerWaalsContact O-CA 3.28Å; I229-T249 WeakPolarHBondContact O-CA 3.03Å; K230-T249 HydrophobicContact CB-CG2 4.33Å; K230-T249 HydrophobicContact CG-CG2 4.42Å
250	T	96.9	Very high	92.3	Very high	14 Å²	14	50.9 Å²	50.9	9%	0.086	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	-171.5	176.6	-169.8	0	0	0	0	109.8	I229 F248 E254 L255 Y265	I229-T250 HydrophobicContact CB-CG2 4Å; I229-T250 HydrophobicContact CG2-CG2 4.25Å; I229-T250 PolarHBondContact N-O 2.86Å; I229-T250 PolarHBondContact O-N 3.44Å; F248-T250 HydrophobicContact CE2-CG2 4.49Å; T250-E254 WeakPolarHBondContact OG1-CB 3.35Å; T250-L255 HydrophobicContact CG2-CD1 3.91Å; T250-L255 HydrophobicContact CG2-CD2 4.14Å; T250-L255 HydrophobicContact CG2-CG 3.94Å; T250-Y265 PolarHBondContact OG1-OH 3.24Å
251	S	96.5	Very high	92.4	Very high	13 Å²	13	56 Å²	56	9%	0.091	28%	0.282	C	S	.	.			trans	-142.2	166.5	171.3	70.8	0	0	0	0	110.5	R253 E254 L255	S251-R253 PolarHBondContact O-N 3.21Å; S251-R253 PolarHBondContact OG-N 3.04Å; S251-E254 PolarHBondContact O-N 3.01Å; S251-E254 PolarHBondContact OG-N 2.87Å; S251-L255 WeakPolarHBondContact O-CG 3.38Å; S251-L255 PolarHBondContact O-N 3.38Å
252	Y	94.6	Very high	92.2	Very high	18 Å²	18	58 Å²	58	7%	0.071	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-40.1	173.7	175	-87.6	0	0	0	111.1	V160 V217 L220 Y225 E254 L255 S256 F290 V292	V160-Y252 HydrophobicContact CG1-CD2 4.25Å; V160-Y252 HydrophobicContact CG1-CE2 3.57Å; V217-Y252 HydrophobicContact CG1-CD2 4.46Å; V217-Y252 HydrophobicContact CG1-CE2 4.3Å; V217-Y252 HydrophobicContact CG2-CD2 4.27Å; V217-Y252 HydrophobicContact CG2-CE2 3.62Å; L220-Y252 HydrophobicContact CD2-CD2 4.36Å; Y225-Y252 AromaticContact CD1-CD1 3.68Å; Y225-Y252 HydrophobicContact CD1-CD1 3.68Å; Y225-Y252 HydrophobicContact CD1-CE1 4.06Å; Y225-Y252 HydrophobicContact CD1-CG 4.17Å; Y225-Y252 HydrophobicContact CD2-CD1 4.08Å; Y225-Y252 HydrophobicContact CD2-CE1 4.07Å; Y225-Y252 HydrophobicContact CE1-CD1 4.27Å; Y225-Y252 HydrophobicContact CE1-CE1 4.21Å; Y225-Y252 HydrophobicContact CE2-CE1 4.21Å; Y225-Y252 AromaticContact CG-CD1 3.58Å; Y225-Y252 HydrophobicContact CG-CD1 3.58Å; Y225-Y252 AromaticContact CG-CE1 3.99Å; Y225-Y252 HydrophobicContact CG-CE1 3.99Å; Y225-Y252 HydrophobicContact CG-CG 4.42Å; Y225-Y252 PolarHBondContact O-N 3.1Å; Y252-E254 VanDerWaalsContact C-N 3.32Å; Y252-E254 PolarHBondContact O-N 3.45Å; Y252-L255 PolarHBondContact O-N 2.76Å; Y252-S256 VanDerWaalsContact O-CB 3.27Å; Y252-S256 WeakPolarHBondContact O-CB 3.47Å; Y252-S256 PolarHBondContact O-N 3.31Å; Y252-S256 PolarHBondContact O-OG 3.5Å; Y252-F290 HydrophobicContact CD2-CZ 4.1Å; Y252-F290 HydrophobicContact CE2-CE1 4.48Å; Y252-F290 AromaticContact CE2-CZ 3.76Å; Y252-F290 HydrophobicContact CE2-CZ 3.76Å; Y252-V292 WeakPolarHBondContact OH-CG2 3.44Å
253	R	94.4	Very high	92.3	Very high	117 Å²	117	55.1 Å²	55.1	44%	0.442	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-36	177.8	-172.8	-179.6	-57.5	-76.2	-0.4	113.3	Y225 D226 S251 S256	Y225-R253 WeakPolarHBondContact O-CB 3.38Å; Y225-R253 PolarHBondContact O-N 3.49Å; D226-R253 VanDerWaalsContact CG-NE 3.32Å; D226-R253 VanDerWaalsContact OD1-CD 3.29Å; D226-R253 WeakPolarHBondContact OD1-CD 3.02Å; D226-R253 IonicContact OD1-CZ 2.82Å; D226-R253 IonicContact OD1-NE 3.54Å; D226-R253 PolarHBondContact OD1-NE 3.47Å; D226-R253 IonicContact OD1-NH2 3.33Å; D226-R253 IonicContact OD2-CZ 3.23Å; D226-R253 IonicContact OD2-NE 2.68Å; D226-R253 PolarHBondContact OD2-NE 3.43Å; D226-R253 VanDerWaalsContact OD2-NE 3.12Å; D226-R253 IonicContact OD2-NH2 3.16Å; D226-R253 PolarHBondContact OD2-NH2 3.1Å; S251-R253 PolarHBondContact O-N 3.21Å; S251-R253 PolarHBondContact OG-N 3.04Å; R253-S256 PolarHBondContact O-OG 3.36Å; R253-S256 VanDerWaalsContact O-OG 3.12Å
254	E	94.4	Very high	92.5	Very high	62 Å²	62	55 Å²	55	29%	0.29	27%	0.27	S	S	.	.	H	α-helix	trans	-71.7	-50.1	175.3	-73.2	-81.8	129.5	0	0	110.5	T250 S251 Y252 S256 R257 N263	T250-E254 WeakPolarHBondContact OG1-CB 3.35Å; S251-E254 PolarHBondContact O-N 3.01Å; S251-E254 PolarHBondContact OG-N 2.87Å; Y252-E254 VanDerWaalsContact C-N 3.32Å; Y252-E254 PolarHBondContact O-N 3.45Å; E254-S256 VanDerWaalsContact C-N 3.29Å; E254-S256 PolarHBondContact O-N 3.18Å; E254-R257 WeakPolarHBondContact O-CB 3.49Å; E254-R257 PolarHBondContact O-N 2.9Å; E254-R257 VanDerWaalsContact O-N 3.16Å; E254-R257 IonicContact OE1-CZ 3.41Å; E254-R257 VanDerWaalsContact OE1-CZ 3.23Å; E254-R257 IonicContact OE1-NH1 3.98Å; E254-R257 PolarHBondContact OE1-NH1 3.25Å; E254-R257 IonicContact OE1-NH2 2.72Å; E254-R257 PolarHBondContact OE1-NH2 3.04Å; E254-R257 VanDerWaalsContact OE1-NH2 3.16Å; E254-R257 IonicContact OE2-NH1 3.37Å; E254-N263 PolarHBondContact O-ND2 3.36Å; E254-N263 PolarHBondContact O-OD1 3.47Å
255	L	95.2	Very high	92.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59	-38.6	178.9	-68.8	170	0	0	0	112.3	M162 F164 I229 T250 S251 Y252 R257 G258 Y265 L287 F290	M162-L255 HydrophobicContact SD-CD1 4.05Å; F164-L255 HydrophobicContact CE1-CD2 4.36Å; F164-L255 HydrophobicContact CZ-CD2 3.92Å; I229-L255 HydrophobicContact CD1-CD1 3.93Å; T250-L255 HydrophobicContact CG2-CD1 3.91Å; T250-L255 HydrophobicContact CG2-CD2 4.14Å; T250-L255 HydrophobicContact CG2-CG 3.94Å; S251-L255 WeakPolarHBondContact O-CG 3.38Å; S251-L255 PolarHBondContact O-N 3.38Å; Y252-L255 PolarHBondContact O-N 2.76Å; L255-R257 PolarHBondContact O-N 3.12Å; L255-R257 VanDerWaalsContact O-N 3.11Å; L255-G258 PolarHBondContact O-N 3.48Å; L255-Y265 HydrophobicContact CD2-CE2 4.44Å; L255-Y265 WeakPolarHBondContact CD2-OH 3.31Å; L255-L287 HydrophobicContact CB-CD2 4.48Å; L255-L287 HydrophobicContact CD2-CD1 4.33Å; L255-L287 HydrophobicContact CD2-CD2 3.91Å; L255-L287 WeakPolarHBondContact O-CD2 3.45Å; L255-F290 HydrophobicContact CB-CD2 3.76Å; L255-F290 HydrophobicContact CB-CE2 3.45Å; L255-F290 VanDerWaalsContact CB-CE2 3.45Å; L255-F290 HydrophobicContact CB-CZ 4.26Å; L255-F290 WeakPolarHBondContact O-CD2 3.33Å; L255-F290 WeakPolarHBondContact O-CG 3.47Å
256	S	93.3	Very high	92.5	Very high	55 Å²	55	58.8 Å²	58.8	39%	0.385	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-9.1	-178.9	69.5	0	0	0	0	114.8	Y252 R253 E254 G258 F290	Y252-S256 VanDerWaalsContact O-CB 3.27Å; Y252-S256 WeakPolarHBondContact O-CB 3.47Å; Y252-S256 PolarHBondContact O-N 3.31Å; Y252-S256 PolarHBondContact O-OG 3.5Å; R253-S256 PolarHBondContact O-OG 3.36Å; R253-S256 VanDerWaalsContact O-OG 3.12Å; E254-S256 VanDerWaalsContact C-N 3.29Å; E254-S256 PolarHBondContact O-N 3.18Å; S256-G258 PolarHBondContact O-N 3.4Å; S256-F290 VanDerWaalsContact CA-CE1 3.44Å
257	R	91.4	Very high	92.5	Very high	129 Å²	129	58.8 Å²	58.8	49%	0.487	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-5.4	167	-60.5	-179.3	-176.7	147.9	8.7	113.1	E254 L255	E254-R257 WeakPolarHBondContact O-CB 3.49Å; E254-R257 PolarHBondContact O-N 2.9Å; E254-R257 VanDerWaalsContact O-N 3.16Å; E254-R257 IonicContact OE1-CZ 3.41Å; E254-R257 VanDerWaalsContact OE1-CZ 3.23Å; E254-R257 IonicContact OE1-NH1 3.98Å; E254-R257 PolarHBondContact OE1-NH1 3.25Å; E254-R257 IonicContact OE1-NH2 2.72Å; E254-R257 PolarHBondContact OE1-NH2 3.04Å; E254-R257 VanDerWaalsContact OE1-NH2 3.16Å; E254-R257 IonicContact OE2-NH1 3.37Å; L255-R257 PolarHBondContact O-N 3.12Å; L255-R257 VanDerWaalsContact O-N 3.11Å
258	G	87.6	Confident	92.5	Very high	14 Å²	14	57.8 Å²	57.8	14%	0.144	29%	0.286	C	S	.	.			trans	71.9	-161.8	174.5	0	0	0	0	0	113.6	L255 S256 S260 N263	L255-G258 PolarHBondContact O-N 3.48Å; S256-G258 PolarHBondContact O-N 3.4Å; G258-S260 PolarHBondContact O-N 3.21Å; G258-N263 PolarHBondContact O-ND2 2.8Å
259	Q	85.1	Confident	92.4	Very high	140 Å²	140	57.5 Å²	57.5	65%	0.654	29%	0.285	S	S	*	.	S	Bend	trans	-66.3	109.6	178.7	-169.5	-179.8	23.6	0	0	109.9
260	S	82.1	Confident	92.2	Very high	37 Å²	37	56.4 Å²	56.4	26%	0.259	28%	0.279	S	S	.	.	S	Bend	trans	-155	167.1	178.5	74.5	0	0	0	0	110.7	G258 F262 N263	G258-S260 PolarHBondContact O-N 3.21Å; S260-F262 PolarHBondContact O-N 2.82Å; S260-F262 WeakPolarHBondContact OG-CB 3.43Å; S260-F262 PolarHBondContact OG-N 3.46Å; S260-N263 PolarHBondContact O-N 3.14Å
261	Q	79.8	Confident	92	Very high	157 Å²	157	63.4 Å²	63.4	73%	0.734	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-56.9	-19.5	172	66	-174.7	1.4	0	0	113.4
262	F	78.8	Confident	91.7	Very high	120 Å²	120	64.9 Å²	64.9	53%	0.526	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-81.4	-17.2	178.5	-56.9	-73.6	0	0	0	113	S260	S260-F262 PolarHBondContact O-N 2.82Å; S260-F262 WeakPolarHBondContact OG-CB 3.43Å; S260-F262 PolarHBondContact OG-N 3.46Å
263	N	91.9	Very high	91.5	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-106.1	41.6	177.2	-70.5	-34.6	0	0	0	111.8	E254 G258 S260 Y265 T286 L287	E254-N263 PolarHBondContact O-ND2 3.36Å; E254-N263 PolarHBondContact O-OD1 3.47Å; G258-N263 PolarHBondContact O-ND2 2.8Å; S260-N263 PolarHBondContact O-N 3.14Å; N263-Y265 HydrophobicContact CB-CE2 4.41Å; N263-Y265 PolarHBondContact OD1-OH 2.74Å; N263-T286 WeakPolarHBondContact O-CA 3.21Å; N263-L287 HydrophobicContact CB-CB 3.75Å; N263-L287 HydrophobicContact CB-CD2 3.93Å; N263-L287 PolarHBondContact O-N 3.03Å
264	V	95.6	Very high	91.2	Very high	68 Å²	68	68.6 Å²	68.6	41%	0.412	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.4	167.9	-177.5	0	0	0	0	107.6	T286	V264-T286 HydrophobicContact CG2-CG2 4.01Å
265	Y	96.9	Very high	91	Very high	19 Å²	19	74.1 Å²	74.1	8%	0.075	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.6	-172.3	-51.7	-74.9	0	0	0	110.7	F164 F248 T250 L255 N263 V267 T284 V285	F164-Y265 HydrophobicContact CE1-CE2 4.39Å; F248-Y265 VanDerWaalsContact CD2-CB 3.44Å; F248-Y265 AromaticContact CD2-CD1 3.7Å; F248-Y265 HydrophobicContact CD2-CD1 3.7Å; F248-Y265 AromaticContact CD2-CD2 3.76Å; F248-Y265 HydrophobicContact CD2-CD2 3.76Å; F248-Y265 HydrophobicContact CD2-CE1 4.4Å; F248-Y265 HydrophobicContact CD2-CE2 4.41Å; F248-Y265 AromaticContact CD2-CG 3.33Å; F248-Y265 HydrophobicContact CD2-CG 3.33Å; F248-Y265 HydrophobicContact CE2-CD1 4.03Å; F248-Y265 AromaticContact CE2-CD2 3.28Å; F248-Y265 HydrophobicContact CE2-CD2 3.28Å; F248-Y265 HydrophobicContact CE2-CE1 4.45Å; F248-Y265 AromaticContact CE2-CE2 3.76Å; F248-Y265 HydrophobicContact CE2-CE2 3.76Å; F248-Y265 AromaticContact CE2-CG 3.42Å; F248-Y265 HydrophobicContact CE2-CG 3.42Å; F248-Y265 VanDerWaalsContact CE2-CG 3.42Å; F248-Y265 AromaticContact CG-CG 3.99Å; F248-Y265 HydrophobicContact CG-CG 3.99Å; F248-Y265 AromaticContact CZ-CD2 3.76Å; F248-Y265 HydrophobicContact CZ-CD2 3.76Å; F248-Y265 HydrophobicContact CZ-CE2 4.4Å; F248-Y265 HydrophobicContact CZ-CG 4.14Å; T250-Y265 PolarHBondContact OG1-OH 3.24Å; L255-Y265 HydrophobicContact CD2-CE2 4.44Å; L255-Y265 WeakPolarHBondContact CD2-OH 3.31Å; N263-Y265 HydrophobicContact CB-CE2 4.41Å; N263-Y265 PolarHBondContact OD1-OH 2.74Å; Y265-V267 PolarHBondContact O-N 3.23Å; Y265-T284 CarbonylContact O-C 3.58Å; Y265-T284 WeakPolarHBondContact O-CA 3.49Å; Y265-V285 PolarHBondContact N-O 3.15Å; Y265-V285 PolarHBondContact O-N 2.81Å
266	E	96.9	Very high	90.7	Very high	111 Å²	111	80.1 Å²	80.1	52%	0.519	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	126.4	168.6	-63.5	-159.3	123.4	0	0	110.1	V268 N281	E266-V268 PolarHBondContact O-N 3.01Å; E266-N281 HydrophobicContact CB-CB 4.07Å; E266-N281 PolarHBondContact OE1-ND2 2.84Å
267	V	97.4	Very high	90.1	Very high	0 Å²	0	88 Å²	88	0%	0	43%	0.43	C	S	.	.			trans	-81.5	114.9	177.6	-178.8	0	0	0	0	108.5	L169 V233 I245 Y265 Y279 N281 S282 G283 V285	L169-V267 HydrophobicContact CD2-CG2 4.26Å; V233-V267 HydrophobicContact CB-CG1 4.27Å; V233-V267 HydrophobicContact CG2-CG1 3.85Å; V233-V267 HydrophobicContact CG2-CG2 4.06Å; I245-V267 HydrophobicContact CG2-CG1 4.33Å; Y265-V267 PolarHBondContact O-N 3.23Å; V267-Y279 PolarHBondContact O-OH 3.5Å; V267-N281 WeakPolarHBondContact O-CB 3.29Å; V267-S282 PolarHBondContact O-N 2.87Å; V267-G283 WeakPolarHBondContact CB-O 3.43Å; V267-G283 PolarHBondContact N-O 3.1Å; V267-V285 HydrophobicContact CG2-CB 4.36Å; V267-V285 HydrophobicContact CG2-CG2 3.62Å
268	V	97.4	Very high	89.9	Confident	36 Å²	36	91.7 Å²	91.7	22%	0.218	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-107.8	125.6	-174.7	178.9	0	0	0	0	110.6	G246 E247 E266 P270 K273 Y279	G246-V268 CarbonylContact C-O 3.53Å; G246-V268 VanDerWaalsContact CA-O 3.28Å; G246-V268 WeakPolarHBondContact CA-O 3.2Å; E247-V268 PolarHBondContact N-O 3.48Å; E247-V268 PolarHBondContact O-N 2.82Å; E266-V268 PolarHBondContact O-N 3.01Å; V268-P270 WeakPolarHBondContact O-CD 3.46Å; V268-K273 HydrophobicContact CG1-CD 3.87Å; V268-Y279 WeakPolarHBondContact CA-OH 3.43Å; V268-Y279 HydrophobicContact CG1-CE1 4.33Å
269	N	96.4	Very high	90	Very high	10 Å²	10	93 Å²	93	5%	0.053	45%	0.45	C	S	.	.			trans	-96.2	109.8	168.7	-170.9	-60.8	0	0	0	109.5	F244 I245 K271 K272 K273 Y279	F244-N269 PolarHBondContact O-ND2 2.96Å; I245-N269 VanDerWaalsContact O-CB 3.32Å; I245-N269 WeakPolarHBondContact O-CB 3.35Å; I245-N269 PolarHBondContact O-ND2 3.46Å; N269-K271 VanDerWaalsContact C-N 3.26Å; N269-K271 PolarHBondContact O-N 3.21Å; N269-K271 WeakPolarHBondContact OD1-CB 3.39Å; N269-K271 PolarHBondContact OD1-N 3.5Å; N269-K271 VanDerWaalsContact OD1-N 3.14Å; N269-K272 HydrophobicContact CB-CB 3.99Å; N269-K272 HydrophobicContact CB-CD 4.05Å; N269-K272 HydrophobicContact CB-CG 4.01Å; N269-K272 PolarHBondContact O-N 3.09Å; N269-K272 VanDerWaalsContact O-N 3.1Å; N269-K272 PolarHBondContact OD1-N 3.44Å; N269-K273 PolarHBondContact O-N 3Å; N269-Y279 PolarHBondContact N-OH 3.41Å
270	P	93.1	Very high	90.2	Very high	64 Å²	64	90.4 Å²	90.4	42%	0.416	45%	0.448	S	S	.	.	H	α-helix	trans	-59.2	-37	-175.9	-25.7	35.8	0	0	0	112.8	E247 V268 K273 G274	E247-P270 WeakPolarHBondContact OE1-CG 3.37Å; V268-P270 WeakPolarHBondContact O-CD 3.46Å; P270-K273 PolarHBondContact O-N 3.32Å; P270-G274 PolarHBondContact O-N 2.82Å
271	K	92.4	Very high	90.8	Very high	162 Å²	162	90.5 Å²	90.5	70%	0.704	45%	0.445	S	S	*	.	H	α-helix	trans	-66.3	-40	177.9	-63.7	178.9	-179.5	172.6	0	111.7	N269 K275	N269-K271 VanDerWaalsContact C-N 3.26Å; N269-K271 PolarHBondContact O-N 3.21Å; N269-K271 WeakPolarHBondContact OD1-CB 3.39Å; N269-K271 PolarHBondContact OD1-N 3.5Å; N269-K271 VanDerWaalsContact OD1-N 3.14Å; K271-K275 WeakPolarHBondContact O-CB 3.39Å; K271-K275 VanDerWaalsContact O-CG 3.3Å; K271-K275 WeakPolarHBondContact O-CG 3.5Å; K271-K275 PolarHBondContact O-N 3.21Å
272	K	90.9	Very high	91.6	Very high	44 Å²	44	83 Å²	83	19%	0.191	41%	0.41	C	S	.	.	H	α-helix	trans	-71.1	-41.9	176	-66.8	-177.7	178.8	177.6	0	111.6	D170 N269 G274 K275 K276 Y279	D170-K272 IonicContact OD2-NZ 3.88Å; D170-K272 PolarHBondContact OD2-NZ 3.02Å; N269-K272 HydrophobicContact CB-CB 3.99Å; N269-K272 HydrophobicContact CB-CD 4.05Å; N269-K272 HydrophobicContact CB-CG 4.01Å; N269-K272 PolarHBondContact O-N 3.09Å; N269-K272 VanDerWaalsContact O-N 3.1Å; N269-K272 PolarHBondContact OD1-N 3.44Å; K272-G274 VanDerWaalsContact C-N 3.32Å; K272-G274 PolarHBondContact O-N 3.34Å; K272-K275 PolarHBondContact O-N 3.34Å; K272-K275 VanDerWaalsContact O-N 3.12Å; K272-K276 WeakPolarHBondContact O-CB 3.49Å; K272-K276 PolarHBondContact O-N 2.94Å; K272-Y279 HydrophobicContact CB-CD2 3.75Å; K272-Y279 HydrophobicContact CB-CE2 3.75Å; K272-Y279 HydrophobicContact CB-CG 4.29Å; K272-Y279 HydrophobicContact CD-CD2 4.41Å; K272-Y279 HydrophobicContact CD-CE2 4Å
273	K	90.1	Very high	92.5	Very high	140 Å²	140	77.4 Å²	77.4	61%	0.609	39%	0.387	S	S	*	.	H	α-helix	trans	-59.2	-41.2	177.8	-170.6	172.9	-178.7	175.6	0	112	V268 N269 P270 Y279	V268-K273 HydrophobicContact CG1-CD 3.87Å; N269-K273 PolarHBondContact O-N 3Å; P270-K273 PolarHBondContact O-N 3.32Å; K273-Y279 HydrophobicContact CB-CD1 3.87Å; K273-Y279 HydrophobicContact CB-CE1 4.08Å; K273-Y279 HydrophobicContact CG-CD1 4.26Å
274	G	88.3	Confident	92.8	Very high	72 Å²	72	78.8 Å²	78.8	74%	0.742	40%	0.395	S	S	*	.	H	α-helix	trans	-70.9	-26.2	175.7	0	0	0	0	0	114.9	P270 K272	P270-G274 PolarHBondContact O-N 2.82Å; K272-G274 VanDerWaalsContact C-N 3.32Å; K272-G274 PolarHBondContact O-N 3.34Å
275	K	90.4	Very high	92.9	Very high	179 Å²	179	75.6 Å²	75.6	78%	0.778	38%	0.375	S	S	*	.	H	α-helix	trans	-98	-32	-174.4	-71.8	-178.9	-179.8	-174.6	0	114.6	K271 K272	K271-K275 WeakPolarHBondContact O-CB 3.39Å; K271-K275 VanDerWaalsContact O-CG 3.3Å; K271-K275 WeakPolarHBondContact O-CG 3.5Å; K271-K275 PolarHBondContact O-N 3.21Å; K272-K275 PolarHBondContact O-N 3.34Å; K272-K275 VanDerWaalsContact O-N 3.12Å
276	K	88.2	Confident	92.9	Very high	125 Å²	125	76.1 Å²	76.1	54%	0.543	38%	0.381	S	S	.	.			trans	-112	113.3	-169.8	-70.1	-174.4	179.3	-173.8	0	111.2	K272 K278 Y279	K272-K276 WeakPolarHBondContact O-CB 3.49Å; K272-K276 PolarHBondContact O-N 2.94Å; K276-K278 PolarHBondContact O-N 3.4Å; K276-K278 VanDerWaalsContact O-N 3.15Å; K276-Y279 WeakPolarHBondContact O-CB 3.19Å; K276-Y279 PolarHBondContact O-N 2.7Å
277	K	80.9	Confident	92.9	Very high	221 Å²	221	70.8 Å²	70.8	96%	0.961	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.9	178.8	-76.5	-172.9	176.4	-178.6	0	115.3
278	K	87.7	Confident	92.9	Very high	207 Å²	207	73 Å²	73	90%	0.9	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	24.5	-179.8	-67.7	-172.1	177.2	-177	0	113.3	K276	K276-K278 PolarHBondContact O-N 3.4Å; K276-K278 VanDerWaalsContact O-N 3.15Å
279	Y	89.5	Confident	92.7	Very high	41 Å²	41	73.4 Å²	73.4	16%	0.161	37%	0.372	C	S	.	.			trans	-73.8	125.7	175.6	174.5	-97	0	0	0	110.5	V267 V268 N269 K272 K273 K276 N281 S282	V267-Y279 PolarHBondContact O-OH 3.5Å; V268-Y279 WeakPolarHBondContact CA-OH 3.43Å; V268-Y279 HydrophobicContact CG1-CE1 4.33Å; N269-Y279 PolarHBondContact N-OH 3.41Å; K272-Y279 HydrophobicContact CB-CD2 3.75Å; K272-Y279 HydrophobicContact CB-CE2 3.75Å; K272-Y279 HydrophobicContact CB-CG 4.29Å; K272-Y279 HydrophobicContact CD-CD2 4.41Å; K272-Y279 HydrophobicContact CD-CE2 4Å; K273-Y279 HydrophobicContact CB-CD1 3.87Å; K273-Y279 HydrophobicContact CB-CE1 4.08Å; K273-Y279 HydrophobicContact CG-CD1 4.26Å; K276-Y279 WeakPolarHBondContact O-CB 3.19Å; K276-Y279 PolarHBondContact O-N 2.7Å; Y279-N281 VanDerWaalsContact CZ-CA 3.49Å; Y279-N281 WeakPolarHBondContact OH-CA 3.2Å; Y279-S282 PolarHBondContact OH-N 3.44Å; Y279-S282 PolarHBondContact OH-OG 2.87Å
280	S	90.3	Very high	92.6	Very high	86 Å²	86	74.4 Å²	74.4	60%	0.601	38%	0.376	S	S	*	.			trans	-92.1	-73.4	170.3	53.4	0	0	0	0	110.2
281	N	94.7	Very high	92.6	Very high	38 Å²	38	75.7 Å²	75.7	20%	0.203	38%	0.379	C	S	.	.			trans	-154.8	175.5	-179.2	60.2	48.6	0	0	0	109.7	E266 V267 Y279 G283	E266-N281 HydrophobicContact CB-CB 4.07Å; E266-N281 PolarHBondContact OE1-ND2 2.84Å; V267-N281 WeakPolarHBondContact O-CB 3.29Å; Y279-N281 VanDerWaalsContact CZ-CA 3.49Å; Y279-N281 WeakPolarHBondContact OH-CA 3.2Å; N281-G283 PolarHBondContact OD1-N 2.86Å; N281-G283 PolarHBondContact OD1-O 3.49Å
282	S	96.4	Very high	92.5	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.363	C	S	.	.	S	Bend	trans	-106.2	34.4	175.7	-56.1	0	0	0	0	110.3	L169 D170 V267 Y279	L169-S282 WeakPolarHBondContact CA-O 3.29Å; D170-S282 PolarHBondContact N-O 3.03Å; D170-S282 VanDerWaalsContact OD2-CB 3.31Å; D170-S282 WeakPolarHBondContact OD2-CB 3.23Å; D170-S282 PolarHBondContact OD2-OG 3.02Å; D170-S282 VanDerWaalsContact OD2-OG 3.1Å; V267-S282 PolarHBondContact O-N 2.87Å; Y279-S282 PolarHBondContact OH-N 3.44Å; Y279-S282 PolarHBondContact OH-OG 2.87Å
283	G	96.9	Very high	92.2	Very high	3 Å²	3	72.2 Å²	72.2	3%	0.031	37%	0.37	C	S	.	.			trans	103.1	-175.2	-171.1	0	0	0	0	0	113.4	N167 K168 V267 N281	N167-G283 VanDerWaalsContact O-CA 3.32Å; N167-G283 WeakPolarHBondContact O-CA 3.37Å; K168-G283 WeakPolarHBondContact O-CA 3.45Å; V267-G283 WeakPolarHBondContact CB-O 3.43Å; V267-G283 PolarHBondContact N-O 3.1Å; N281-G283 PolarHBondContact OD1-N 2.86Å; N281-G283 PolarHBondContact OD1-O 3.49Å
284	T	97.7	Very high	91.8	Very high	29 Å²	29	69.6 Å²	69.6	18%	0.178	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.2	177.8	58.3	0	0	0	0	111.2	A166 N167 Y265	A166-T284 CarbonylContact C-O 3.57Å; A166-T284 WeakPolarHBondContact CA-O 3.27Å; A166-T284 WeakPolarHBondContact CB-O 3.46Å; N167-T284 PolarHBondContact N-O 2.96Å; N167-T284 PolarHBondContact O-N 2.82Å; Y265-T284 CarbonylContact O-C 3.58Å; Y265-T284 WeakPolarHBondContact O-CA 3.49Å
285	V	98.1	Very high	91.2	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.9	171.1	170.7	0	0	0	0	108.9	F164 C165 A166 L182 V233 F248 Y265 V267	F164-V285 HydrophobicContact CB-CG1 4.43Å; F164-V285 HydrophobicContact CD1-CG1 3.69Å; F164-V285 HydrophobicContact CE1-CG1 4.42Å; F164-V285 HydrophobicContact CG-CG1 4.46Å; C165-V285 CarbonylContact O-C 3.59Å; C165-V285 WeakPolarHBondContact O-CA 3.47Å; A166-V285 HydrophobicContact CB-CG2 3.89Å; L182-V285 HydrophobicContact CD2-CG2 4.33Å; V233-V285 HydrophobicContact CG2-CG2 4.12Å; F248-V285 HydrophobicContact CD1-CB 4.48Å; F248-V285 HydrophobicContact CE1-CB 3.72Å; F248-V285 HydrophobicContact CE1-CG1 3.83Å; F248-V285 HydrophobicContact CE1-CG2 3.95Å; F248-V285 HydrophobicContact CZ-CB 4.13Å; F248-V285 HydrophobicContact CZ-CG1 3.81Å; Y265-V285 PolarHBondContact N-O 3.15Å; Y265-V285 PolarHBondContact O-N 2.81Å; V267-V285 HydrophobicContact CG2-CB 4.36Å; V267-V285 HydrophobicContact CG2-CG2 3.62Å
286	T	97.6	Very high	90.8	Very high	30 Å²	30	64.3 Å²	64.3	18%	0.184	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.4	-177.2	-58.6	0	0	0	0	110.3	F164 C165 N263 V264 L288	F164-T286 VanDerWaalsContact CA-O 3.31Å; F164-T286 WeakPolarHBondContact CA-O 3.3Å; C165-T286 PolarHBondContact N-O 2.85Å; C165-T286 PolarHBondContact O-N 2.85Å; N263-T286 WeakPolarHBondContact O-CA 3.21Å; V264-T286 HydrophobicContact CG2-CG2 4.01Å; T286-L288 PolarHBondContact O-N 3.05Å
287	L	97.4	Very high	90.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	117.5	168	-176.4	68.3	0	0	0	109.4	M162 F164 L255 N263 S289 F290	M162-L287 HydrophobicContact CB-CD1 4.16Å; M162-L287 HydrophobicContact CG-CD1 4.38Å; M162-L287 HydrophobicContact SD-CD1 4.46Å; F164-L287 HydrophobicContact CD1-CB 4.28Å; F164-L287 HydrophobicContact CD1-CD1 4.22Å; F164-L287 HydrophobicContact CD2-CD1 4.19Å; F164-L287 HydrophobicContact CE1-CB 3.94Å; F164-L287 HydrophobicContact CE1-CD1 3.7Å; F164-L287 HydrophobicContact CE1-CG 4.42Å; F164-L287 HydrophobicContact CE2-CD1 3.65Å; F164-L287 HydrophobicContact CG-CD1 4.48Å; F164-L287 HydrophobicContact CZ-CB 4.49Å; F164-L287 HydrophobicContact CZ-CD1 3.4Å; F164-L287 HydrophobicContact CZ-CG 4.5Å; L255-L287 HydrophobicContact CB-CD2 4.48Å; L255-L287 HydrophobicContact CD2-CD1 4.33Å; L255-L287 HydrophobicContact CD2-CD2 3.91Å; L255-L287 WeakPolarHBondContact O-CD2 3.45Å; N263-L287 HydrophobicContact CB-CB 3.75Å; N263-L287 HydrophobicContact CB-CD2 3.93Å; N263-L287 PolarHBondContact O-N 3.03Å; L287-S289 WeakPolarHBondContact CD1-O 3.29Å; L287-F290 HydrophobicContact CD2-CB 4.04Å; L287-F290 HydrophobicContact CD2-CD2 4.36Å
288	L	95.7	Very high	91	Very high	47 Å²	47	49.3 Å²	49.3	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-38.2	178	-66.7	-177.8	0	0	0	112.2	Q163 C165 V209 T286	Q163-L288 HydrophobicContact CB-CB 4.23Å; Q163-L288 HydrophobicContact CG-CB 4.45Å; Q163-L288 HydrophobicContact CG-CD1 4.25Å; Q163-L288 WeakPolarHBondContact O-CB 3.29Å; Q163-L288 PolarHBondContact O-N 2.84Å; C165-L288 HydrophobicContact CB-CD1 3.88Å; C165-L288 HydrophobicContact CB-CG 4.24Å; V209-L288 HydrophobicContact CG1-CD1 4.07Å; T286-L288 PolarHBondContact O-N 3.05Å
289	S	94.7	Very high	90.9	Very high	43 Å²	43	40.2 Å²	40.2	30%	0.301	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148.8	179.1	65.3	0	0	0	0	111.2	M162 Q163 L287	M162-S289 VanDerWaalsContact CA-O 3.32Å; M162-S289 WeakPolarHBondContact CA-O 3.15Å; Q163-S289 VanDerWaalsContact CB-OG 3.29Å; Q163-S289 WeakPolarHBondContact CB-OG 3.27Å; Q163-S289 PolarHBondContact N-O 2.96Å; Q163-S289 PolarHBondContact N-OG 3.25Å; Q163-S289 PolarHBondContact O-N 3.18Å; L287-S289 WeakPolarHBondContact CD1-O 3.29Å
290	F	94.4	Very high	90.8	Very high	32 Å²	32	39.5 Å²	39.5	14%	0.14	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	111.8	172.9	-172.7	-84.1	0	0	0	108	V160 M162 Y252 L255 S256 L287 V292	V160-F290 HydrophobicContact CB-CE2 3.98Å; V160-F290 HydrophobicContact CB-CZ 4.05Å; V160-F290 HydrophobicContact CG1-CE1 3.89Å; V160-F290 HydrophobicContact CG1-CE2 3.73Å; V160-F290 HydrophobicContact CG1-CZ 3.3Å; V160-F290 HydrophobicContact CG2-CE2 4.46Å; M162-F290 HydrophobicContact CG-CD2 3.6Å; M162-F290 HydrophobicContact CG-CE2 4.08Å; M162-F290 HydrophobicContact CG-CG 4.43Å; M162-F290 HydrophobicContact SD-CD2 3.55Å; M162-F290 VanDerWaalsContact SD-CD2 3.55Å; M162-F290 HydrophobicContact SD-CE2 3.61Å; Y252-F290 HydrophobicContact CD2-CZ 4.1Å; Y252-F290 HydrophobicContact CE2-CE1 4.48Å; Y252-F290 AromaticContact CE2-CZ 3.76Å; Y252-F290 HydrophobicContact CE2-CZ 3.76Å; L255-F290 HydrophobicContact CB-CD2 3.76Å; L255-F290 HydrophobicContact CB-CE2 3.45Å; L255-F290 VanDerWaalsContact CB-CE2 3.45Å; L255-F290 HydrophobicContact CB-CZ 4.26Å; L255-F290 WeakPolarHBondContact O-CD2 3.33Å; L255-F290 WeakPolarHBondContact O-CG 3.47Å; S256-F290 VanDerWaalsContact CA-CE1 3.44Å; L287-F290 HydrophobicContact CD2-CB 4.04Å; L287-F290 HydrophobicContact CD2-CD2 4.36Å; F290-V292 HydrophobicContact CD1-CG2 4.25Å; F290-V292 HydrophobicContact CE1-CG2 3.55Å; F290-V292 HydrophobicContact CZ-CG2 4.42Å
291	L	92.5	Very high	90.8	Very high	91 Å²	91	35.7 Å²	35.7	48%	0.476	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	123.1	178.2	179.8	68.1	0	0	0	108.4	V160 L161 E293	V160-L291 WeakPolarHBondContact CA-O 3.47Å; L161-L291 HydrophobicContact CB-CB 4.31Å; L161-L291 HydrophobicContact CD2-CD2 4.36Å; L161-L291 PolarHBondContact N-O 3.11Å; L161-L291 PolarHBondContact O-N 3.28Å; L291-E293 HydrophobicContact CD2-CG 4Å; L291-E293 HydrophobicContact CG-CG 4.06Å
292	V	89.4	Confident	90.5	Very high	61 Å²	61	34.2 Å²	34.2	37%	0.37	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121.1	170.2	-174.8	0	0	0	0	107.6	D158 V160 Y252 F290	D158-V292 HydrophobicContact CB-CG1 3.92Å; V160-V292 HydrophobicContact CG1-CG2 4.37Å; Y252-V292 WeakPolarHBondContact OH-CG2 3.44Å; F290-V292 HydrophobicContact CD1-CG2 4.25Å; F290-V292 HydrophobicContact CE1-CG2 3.55Å; F290-V292 HydrophobicContact CZ-CG2 4.42Å
293	E	85.3	Confident	89.9	Confident	72 Å²	72	37 Å²	37	34%	0.336	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.2	172.9	-65	-175	163.1	0	0	108.4	A159 K214 L291 E295	A159-E293 PolarHBondContact N-O 2.76Å; A159-E293 PolarHBondContact O-N 3.01Å; K214-E293 IonicContact NZ-OE2 3.12Å; L291-E293 HydrophobicContact CD2-CG 4Å; L291-E293 HydrophobicContact CG-CG 4.06Å; E293-E295 PolarHBondContact O-N 3.01Å
294	T	81.1	Confident	89.4	Confident	84 Å²	84	37.6 Å²	37.6	52%	0.515	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.3	166.9	-53.7	0	0	0	0	108	R157 D158 V296	R157-T294 HydrophobicContact CB-CG2 3.8Å; D158-T294 WeakPolarHBondContact OD1-CA 3.38Å; D158-T294 WeakPolarHBondContact OD1-CB 3.37Å; D158-T294 PolarHBondContact OD1-OG1 3.33Å; T294-V296 PolarHBondContact O-N 3.14Å
295	E	76.1	Confident	88.9	Confident	90 Å²	90	38.2 Å²	38.2	42%	0.421	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-66.5	121	172.2	-63.6	-167.2	150.8	0	0	109	R157 A159 K214 E293	R157-E295 WeakPolarHBondContact O-CB 3.46Å; R157-E295 PolarHBondContact O-N 2.7Å; A159-E295 HydrophobicContact CB-CG 4.18Å; K214-E295 WeakPolarHBondContact CE-OE1 3.36Å; K214-E295 IonicContact NZ-OE1 3.9Å; K214-E295 PolarHBondContact NZ-OE1 2.7Å; E293-E295 PolarHBondContact O-N 3.01Å
296	V	82.6	Confident	88.6	Confident	51 Å²	51	38.7 Å²	38.7	31%	0.309	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-88.7	124.9	175.7	-176.6	0	0	0	0	108.1	T294 D300 Y301 P546	T294-V296 PolarHBondContact O-N 3.14Å; V296-D300 HydrophobicContact CG1-CB 3.72Å; V296-Y301 HydrophobicContact CB-CE2 4.19Å; V296-Y301 HydrophobicContact CG1-CD2 3.81Å; V296-Y301 HydrophobicContact CG1-CE2 3.25Å; V296-P546 HydrophobicContact CG1-CB 4.34Å; V296-P546 HydrophobicContact CG1-CG 3.63Å; V296-P546 HydrophobicContact CG2-CG 4.42Å
297	S	85.7	Confident	88.1	Confident	18 Å²	18	40.7 Å²	40.7	13%	0.126	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-86.6	165.5	177.2	76.3	0	0	0	0	111.5	E152 L299 D300 Y301	E152-S297 WeakPolarHBondContact OE2-CB 3.18Å; E152-S297 PolarHBondContact OE2-OG 2.85Å; S297-L299 VanDerWaalsContact C-N 3.27Å; S297-L299 PolarHBondContact O-N 2.93Å; S297-L299 PolarHBondContact OG-N 2.97Å; S297-D300 PolarHBondContact N-OD2 3.19Å; S297-D300 WeakPolarHBondContact O-CB 3.36Å; S297-D300 PolarHBondContact O-N 3.1Å; S297-D300 PolarHBondContact OG-N 3.05Å; S297-D300 PolarHBondContact OG-OD2 3.29Å; S297-Y301 WeakPolarHBondContact O-CD2 3.46Å
298	F	87.6	Confident	87.8	Confident	13 Å²	13	41 Å²	41	6%	0.057	23%	0.231	C	C	.	.	H	α-helix	trans	-56.8	-43.1	171.3	173.5	-104.6	0	0	0	111.6	F87 D300 Y301 I302 I308 P532 F535 L536	F87-F298 HydrophobicContact CD2-CD1 4.43Å; F87-F298 AromaticContact CD2-CE1 3.61Å; F87-F298 HydrophobicContact CD2-CE1 3.61Å; F87-F298 HydrophobicContact CD2-CZ 4.13Å; F87-F298 AromaticContact CE2-CE1 3.75Å; F87-F298 HydrophobicContact CE2-CE1 3.75Å; F87-F298 AromaticContact CE2-CZ 3.8Å; F87-F298 HydrophobicContact CE2-CZ 3.8Å; F87-F298 HydrophobicContact CG-CE1 4.45Å; F87-F298 HydrophobicContact CZ-CZ 4.44Å; F298-D300 PolarHBondContact O-N 3.18Å; F298-Y301 PolarHBondContact O-N 3.43Å; F298-Y301 VanDerWaalsContact O-N 3.13Å; F298-I302 HydrophobicContact CD1-CG1 4.16Å; F298-I302 HydrophobicContact CE1-CD1 4.15Å; F298-I302 HydrophobicContact CE1-CG1 3.72Å; F298-I302 HydrophobicContact CE2-CD1 4.19Å; F298-I302 HydrophobicContact CE2-CG1 4.41Å; F298-I302 HydrophobicContact CZ-CD1 3.76Å; F298-I302 HydrophobicContact CZ-CG1 3.86Å; F298-I302 PolarHBondContact O-N 2.95Å; F298-I308 HydrophobicContact CE2-CD1 4.15Å; F298-I308 HydrophobicContact CZ-CD1 4.29Å; F298-I308 HydrophobicContact CZ-CG1 4.26Å; F298-P532 HydrophobicContact CB-CB 4.07Å; F298-P532 HydrophobicContact CD2-CB 4.19Å; F298-P532 HydrophobicContact CG-CB 4.01Å; F298-P532 HydrophobicContact CG-CG 4.5Å; F298-F535 HydrophobicContact CD2-CB 4.24Å; F298-F535 AromaticContact CD2-CD1 3.64Å; F298-F535 HydrophobicContact CD2-CD1 3.64Å; F298-F535 HydrophobicContact CD2-CD2 4.48Å; F298-F535 HydrophobicContact CD2-CE1 4.08Å; F298-F535 AromaticContact CD2-CG 3.88Å; F298-F535 HydrophobicContact CD2-CG 3.88Å; F298-F535 HydrophobicContact CE2-CB 4.29Å; F298-F535 HydrophobicContact CE2-CD1 4.12Å; F298-F535 HydrophobicContact CE2-CD2 4.14Å; F298-F535 AromaticContact CE2-CG 3.93Å; F298-F535 HydrophobicContact CE2-CG 3.93Å; F298-L536 HydrophobicContact CB-CD1 4.47Å
299	L	86.3	Confident	87.7	Confident	15 Å²	15	39.9 Å²	39.9	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-26.2	-180	-68.1	-175.7	0	0	0	113.4	T24 V26 Y85 V124 E152 S297 Y301 I302 K303	T24-L299 HydrophobicContact CG2-CD1 3.85Å; V26-L299 HydrophobicContact CG2-CD1 4.29Å; Y85-L299 HydrophobicContact CD1-CD1 4.05Å; Y85-L299 HydrophobicContact CE1-CD1 3.93Å; Y85-L299 HydrophobicContact CE1-CD2 3.86Å; Y85-L299 HydrophobicContact CE1-CG 4.11Å; V124-L299 HydrophobicContact CB-CD2 4.2Å; V124-L299 HydrophobicContact CG2-CD2 4.23Å; E152-L299 HydrophobicContact CG-CD1 4.45Å; S297-L299 VanDerWaalsContact C-N 3.27Å; S297-L299 PolarHBondContact O-N 2.93Å; S297-L299 PolarHBondContact OG-N 2.97Å; L299-Y301 VanDerWaalsContact C-N 3.29Å; L299-Y301 PolarHBondContact O-N 3.04Å; L299-I302 PolarHBondContact O-N 2.82Å; L299-K303 VanDerWaalsContact O-CB 3.24Å; L299-K303 WeakPolarHBondContact O-CB 3.46Å; L299-K303 PolarHBondContact O-N 2.75Å
300	D	86.8	Confident	87.6	Confident	26 Å²	26	38 Å²	38	14%	0.139	21%	0.212	C	C	.	.	H	α-helix	trans	-62.6	-37.9	174.6	-71.2	-35.1	0	0	0	112.2	R157 V296 S297 F298 G304 P546	R157-D300 IonicContact CZ-OD1 2.89Å; R157-D300 IonicContact CZ-OD2 3.66Å; R157-D300 IonicContact NH1-OD1 3.3Å; R157-D300 PolarHBondContact NH1-OD1 3.03Å; R157-D300 IonicContact NH1-OD2 3.14Å; R157-D300 PolarHBondContact NH1-OD2 3.25Å; R157-D300 IonicContact NH2-OD1 3.35Å; R157-D300 PolarHBondContact NH2-OD1 3.18Å; R157-D300 IonicContact NH2-OD2 2.97Å; V296-D300 HydrophobicContact CG1-CB 3.72Å; S297-D300 PolarHBondContact N-OD2 3.19Å; S297-D300 WeakPolarHBondContact O-CB 3.36Å; S297-D300 PolarHBondContact O-N 3.1Å; S297-D300 PolarHBondContact OG-N 3.05Å; S297-D300 PolarHBondContact OG-OD2 3.29Å; F298-D300 PolarHBondContact O-N 3.18Å; D300-G304 PolarHBondContact O-N 3.47Å; D300-P546 HydrophobicContact CB-CB 4.12Å; D300-P546 HydrophobicContact CB-CG 4.14Å
301	Y	89.9	Confident	87.6	Confident	7 Å²	7	36.9 Å²	36.9	3%	0.027	21%	0.208	C	C	.	.	H	α-helix	trans	-71.8	-43.4	176.3	-70.8	-90.4	0	0	0	111.6	V296 S297 F298 L299 K303 G304 G305 T306 F535 L536 M539 I544 P546	V296-Y301 HydrophobicContact CB-CE2 4.19Å; V296-Y301 HydrophobicContact CG1-CD2 3.81Å; V296-Y301 HydrophobicContact CG1-CE2 3.25Å; S297-Y301 WeakPolarHBondContact O-CD2 3.46Å; F298-Y301 PolarHBondContact O-N 3.43Å; F298-Y301 VanDerWaalsContact O-N 3.13Å; L299-Y301 VanDerWaalsContact C-N 3.29Å; L299-Y301 PolarHBondContact O-N 3.04Å; Y301-K303 PolarHBondContact O-N 3.47Å; Y301-G304 CarbonylContact O-C 3.58Å; Y301-G304 WeakPolarHBondContact O-CA 3.2Å; Y301-G304 PolarHBondContact O-N 3.3Å; Y301-G304 VanDerWaalsContact O-N 3.12Å; Y301-G305 PolarHBondContact O-N 2.8Å; Y301-G305 VanDerWaalsContact O-N 3.1Å; Y301-T306 WeakPolarHBondContact O-CB 3.36Å; Y301-T306 PolarHBondContact O-N 3.08Å; Y301-T306 PolarHBondContact O-OG1 2.87Å; Y301-F535 HydrophobicContact CD1-CE1 4.12Å; Y301-F535 HydrophobicContact CD1-CZ 4Å; Y301-F535 AromaticContact CD2-CE1 3.51Å; Y301-F535 HydrophobicContact CD2-CE1 3.51Å; Y301-F535 HydrophobicContact CD2-CZ 4.14Å; Y301-F535 HydrophobicContact CE2-CE1 4.08Å; Y301-F535 AromaticContact CG-CE1 3.51Å; Y301-F535 HydrophobicContact CG-CE1 3.51Å; Y301-F535 AromaticContact CG-CZ 3.64Å; Y301-F535 HydrophobicContact CG-CZ 3.64Å; Y301-L536 HydrophobicContact CD2-CD2 4.18Å; Y301-L536 HydrophobicContact CE2-CD2 3.8Å; Y301-M539 HydrophobicContact CD1-CE 4.29Å; Y301-M539 HydrophobicContact CD1-CG 4.24Å; Y301-M539 HydrophobicContact CD1-SD 4.45Å; Y301-M539 HydrophobicContact CE1-CB 4.03Å; Y301-M539 HydrophobicContact CE1-CG 3.75Å; Y301-M539 HydrophobicContact CE1-SD 4.07Å; Y301-M539 HydrophobicContact CE2-CB 4.34Å; Y301-M539 HydrophobicContact CE2-CG 4.32Å; Y301-M539 WeakPolarHBondContact OH-CB 3.03Å; Y301-I544 HydrophobicContact CE1-CG2 4.22Å; Y301-I544 PolarHBondContact OH-O 3.07Å; Y301-P546 HydrophobicContact CD1-CB 4.01Å; Y301-P546 HydrophobicContact CD2-CB 4.44Å; Y301-P546 HydrophobicContact CE1-CB 4.19Å; Y301-P546 HydrophobicContact CG-CB 4.13Å
302	I	88.2	Confident	87.8	Confident	7 Å²	7	32.6 Å²	32.6	4%	0.036	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-47.6	175.8	-59	-50.6	0	0	0	110.5	F298 L299 G304 G305 I308	F298-I302 HydrophobicContact CD1-CG1 4.16Å; F298-I302 HydrophobicContact CE1-CD1 4.15Å; F298-I302 HydrophobicContact CE1-CG1 3.72Å; F298-I302 HydrophobicContact CE2-CD1 4.19Å; F298-I302 HydrophobicContact CE2-CG1 4.41Å; F298-I302 HydrophobicContact CZ-CD1 3.76Å; F298-I302 HydrophobicContact CZ-CG1 3.86Å; F298-I302 PolarHBondContact O-N 2.95Å; L299-I302 PolarHBondContact O-N 2.82Å; I302-G304 VanDerWaalsContact C-N 3.27Å; I302-G304 PolarHBondContact O-N 2.78Å; I302-G305 WeakPolarHBondContact O-CA 3.07Å; I302-G305 PolarHBondContact O-N 2.65Å; I302-I308 HydrophobicContact CD1-CD1 4.04Å; I302-I308 HydrophobicContact CD1-CG1 3.79Å
303	K	84.4	Confident	88.2	Confident	59 Å²	59	29.7 Å²	29.7	26%	0.257	17%	0.167	S	C	.	.	H	α-helix	trans	-61.6	-35.2	175.1	-174.5	172.4	-176.4	169.5	0	112.5	L299 Y301 G305 A549	L299-K303 VanDerWaalsContact O-CB 3.24Å; L299-K303 WeakPolarHBondContact O-CB 3.46Å; L299-K303 PolarHBondContact O-N 2.75Å; Y301-K303 PolarHBondContact O-N 3.47Å; K303-G305 PolarHBondContact O-N 2.98Å; K303-A549 HydrophobicContact CG-CB 4.27Å
304	G	86.2	Confident	88.8	Confident	15 Å²	15	26.2 Å²	26.2	16%	0.155	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-7.1	172.8	0	0	0	0	0	114.4	D300 Y301 I302 S547	D300-G304 PolarHBondContact O-N 3.47Å; Y301-G304 CarbonylContact O-C 3.58Å; Y301-G304 WeakPolarHBondContact O-CA 3.2Å; Y301-G304 PolarHBondContact O-N 3.3Å; Y301-G304 VanDerWaalsContact O-N 3.12Å; I302-G304 VanDerWaalsContact C-N 3.27Å; I302-G304 PolarHBondContact O-N 2.78Å; G304-S547 WeakPolarHBondContact CA-O 3.43Å; G304-S547 VanDerWaalsContact O-CB 3.31Å; G304-S547 WeakPolarHBondContact O-CB 3.47Å
305	G	87.5	Confident	89.6	Confident	42 Å²	42	22.2 Å²	22.2	43%	0.433	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	15.2	177.4	0	0	0	0	0	114.9	Y301 I302 K303 Q307	Y301-G305 PolarHBondContact O-N 2.8Å; Y301-G305 VanDerWaalsContact O-N 3.1Å; I302-G305 WeakPolarHBondContact O-CA 3.07Å; I302-G305 PolarHBondContact O-N 2.65Å; K303-G305 PolarHBondContact O-N 2.98Å; G305-Q307 PolarHBondContact O-N 3.5Å
306	T	90.6	Very high	90.6	Very high	10 Å²	10	18 Å²	18	6%	0.061	11%	0.107	C	C	.	.			trans	-64.8	126	168.3	-64.9	0	0	0	0	109.7	Y301 G432 S433 F535 M539	Y301-T306 WeakPolarHBondContact O-CB 3.36Å; Y301-T306 PolarHBondContact O-N 3.08Å; Y301-T306 PolarHBondContact O-OG1 2.87Å; T306-G432 WeakPolarHBondContact CG2-O 3.41Å; T306-G432 PolarHBondContact OG1-O 3.2Å; T306-S433 WeakPolarHBondContact CA-O 3.43Å; T306-F535 HydrophobicContact CG2-CE2 3.69Å; T306-F535 HydrophobicContact CG2-CZ 3.82Å; T306-M539 HydrophobicContact CG2-CE 4.25Å
307	Q	88.8	Confident	91.3	Very high	71 Å²	71	15.6 Å²	15.6	33%	0.332	9%	0.093	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.8	179	-69.1	176.9	-21	0	0	111.7	G305 S356 S433 Q434 Y435	G305-Q307 PolarHBondContact O-N 3.5Å; Q307-S356 PolarHBondContact NE2-OG 3.46Å; Q307-S433 PolarHBondContact N-O 3.21Å; Q307-Q434 HydrophobicContact CB-CG 4.4Å; Q307-Q434 CarbonylContact O-C 3.51Å; Q307-Q434 WeakPolarHBondContact O-CA 3.48Å; Q307-Y435 PolarHBondContact O-N 3.42Å
308	I	90.7	Very high	91.7	Very high	7 Å²	7	17.4 Å²	17.4	4%	0.036	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.5	170.5	-51.7	-57.2	0	0	0	108.1	F298 I302 Y354 Y435 V437 F535	F298-I308 HydrophobicContact CE2-CD1 4.15Å; F298-I308 HydrophobicContact CZ-CD1 4.29Å; F298-I308 HydrophobicContact CZ-CG1 4.26Å; I302-I308 HydrophobicContact CD1-CD1 4.04Å; I302-I308 HydrophobicContact CD1-CG1 3.79Å; I308-Y354 PolarHBondContact N-O 3.32Å; I308-Y435 CarbonylContact C-O 3.55Å; I308-Y435 WeakPolarHBondContact CA-O 3.31Å; I308-V437 HydrophobicContact CG2-CG2 3.8Å; I308-F535 HydrophobicContact CD1-CD2 3.99Å; I308-F535 HydrophobicContact CD1-CE2 3.91Å
309	N	92.1	Very high	92	Very high	24 Å²	24	20.5 Å²	20.5	13%	0.128	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.2	-177.9	-68.1	-97.6	0	0	0	109.4	Y435 F436 V437	N309-Y435 PolarHBondContact N-O 2.99Å; N309-F436 HydrophobicContact CB-CD1 3.66Å; N309-F436 HydrophobicContact CB-CE1 3.88Å; N309-F436 HydrophobicContact CB-CG 4.33Å; N309-F436 CarbonylContact O-C 3.47Å; N309-F436 WeakPolarHBondContact O-CA 3.32Å; N309-V437 PolarHBondContact O-N 2.9Å
310	F	92.8	Very high	92.4	Very high	3 Å²	3	20 Å²	20	1%	0.013	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.1	-177.3	-172.2	-105.5	0	0	0	111.7	V312 V347 V351 F360 P361 V437 L439	F310-V312 HydrophobicContact CD1-CG2 3.92Å; F310-V312 HydrophobicContact CE1-CG2 3.38Å; F310-V312 HydrophobicContact CZ-CG2 4.22Å; F310-V347 HydrophobicContact CE2-CG1 3.93Å; F310-V347 HydrophobicContact CZ-CG1 3.68Å; F310-V351 HydrophobicContact CB-CG2 4.17Å; F310-V351 HydrophobicContact CD1-CG2 3.67Å; F310-V351 HydrophobicContact CD2-CB 4.11Å; F310-V351 HydrophobicContact CD2-CG1 4.19Å; F310-V351 HydrophobicContact CD2-CG2 3.75Å; F310-V351 HydrophobicContact CE1-CG2 3.83Å; F310-V351 HydrophobicContact CE2-CB 4.45Å; F310-V351 HydrophobicContact CE2-CG1 4.16Å; F310-V351 HydrophobicContact CE2-CG2 3.94Å; F310-V351 HydrophobicContact CG-CB 4.28Å; F310-V351 HydrophobicContact CG-CG2 3.6Å; F310-V351 HydrophobicContact CZ-CG2 3.96Å; F310-F360 HydrophobicContact CB-CD1 3.75Å; F310-F360 HydrophobicContact CB-CE1 3.86Å; F310-F360 HydrophobicContact CD1-CD1 4.08Å; F310-F360 HydrophobicContact CD1-CE1 4.5Å; F310-F360 HydrophobicContact CG-CD1 4.43Å; F310-F360 WeakPolarHBondContact O-CD1 3.25Å; F310-P361 WeakPolarHBondContact O-CD 3.36Å; F310-V437 WeakPolarHBondContact CA-O 3.24Å; F310-V437 HydrophobicContact CD2-CB 3.97Å; F310-V437 HydrophobicContact CD2-CG1 3.83Å; F310-V437 HydrophobicContact CE2-CG1 3.97Å; F310-L439 HydrophobicContact CE1-CB 4.27Å; F310-L439 HydrophobicContact CE1-CD2 4.29Å; F310-L439 HydrophobicContact CE2-CB 3.76Å; F310-L439 HydrophobicContact CZ-CB 3.4Å; F310-L439 HydrophobicContact CZ-CD2 3.65Å; F310-L439 HydrophobicContact CZ-CG 4.12Å
311	T	95.9	Very high	92.7	Very high	9 Å²	9	20.1 Å²	20.1	6%	0.055	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.8	175.7	-64.5	0	0	0	0	109.8	P361 L363 V422 V437 L438 L439	T311-P361 HydrophobicContact CG2-CB 4.04Å; T311-L363 HydrophobicContact CG2-CD1 4.14Å; T311-V422 HydrophobicContact CG2-CG2 3.79Å; T311-V437 PolarHBondContact N-O 3.19Å; T311-L438 HydrophobicContact CG2-CD1 3.92Å; T311-L438 CarbonylContact O-C 3.55Å; T311-L438 WeakPolarHBondContact O-CA 3.35Å; T311-L439 PolarHBondContact O-N 3.09Å
312	V	96.9	Very high	92.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	134.1	177.2	177.9	0	0	0	0	109.9	F310 I314 L344 P361 L363 V396 L439	F310-V312 HydrophobicContact CD1-CG2 3.92Å; F310-V312 HydrophobicContact CE1-CG2 3.38Å; F310-V312 HydrophobicContact CZ-CG2 4.22Å; V312-I314 HydrophobicContact CG1-CD1 4.22Å; V312-I314 HydrophobicContact CG1-CG1 3.75Å; V312-L344 HydrophobicContact CB-CD2 4.45Å; V312-L344 HydrophobicContact CG1-CD2 3.26Å; V312-L344 HydrophobicContact CG2-CD2 4.35Å; V312-P361 PolarHBondContact N-O 2.93Å; V312-L363 PolarHBondContact O-N 2.89Å; V312-V396 HydrophobicContact CB-CG1 4.37Å; V312-V396 HydrophobicContact CG1-CG1 4.31Å; V312-V396 HydrophobicContact CG2-CG1 4.29Å; V312-L439 CarbonylContact C-O 3.53Å
313	A	97.7	Very high	93.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.2	170.4	0	0	0	0	0	110	L363 F365 V418 L438 L439 I440 V441	A313-L363 CarbonylContact C-O 3.53Å; A313-L363 VanDerWaalsContact CA-O 3.32Å; A313-L363 WeakPolarHBondContact CA-O 3.4Å; A313-F365 HydrophobicContact CB-CD1 4.21Å; A313-F365 HydrophobicContact CB-CE1 4.14Å; A313-V418 HydrophobicContact CB-CB 4.06Å; A313-V418 HydrophobicContact CB-CG1 4.06Å; A313-V418 HydrophobicContact CB-CG2 4.1Å; A313-L438 HydrophobicContact CB-CD1 3.91Å; A313-L439 PolarHBondContact N-O 3.49Å; A313-I440 HydrophobicContact CB-CG1 4.34Å; A313-I440 WeakPolarHBondContact O-CA 3.29Å; A313-V441 PolarHBondContact O-N 3.15Å
314	I	97.9	Very high	93.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.1	-176.7	-55.3	-179.9	0	0	0	109.7	V312 F316 Y340 L344 L363 G364 F365 L381 Y400	V312-I314 HydrophobicContact CG1-CD1 4.22Å; V312-I314 HydrophobicContact CG1-CG1 3.75Å; I314-F316 HydrophobicContact CB-CD2 4.14Å; I314-F316 HydrophobicContact CB-CE2 3.77Å; I314-F316 HydrophobicContact CG2-CD2 3.85Å; I314-F316 HydrophobicContact CG2-CE2 3.55Å; I314-F316 WeakPolarHBondContact O-CD2 3.39Å; I314-Y340 HydrophobicContact CG2-CD1 3.72Å; I314-Y340 HydrophobicContact CG2-CE1 3.97Å; I314-L344 HydrophobicContact CD1-CD1 3.57Å; I314-L344 HydrophobicContact CD1-CD2 4.18Å; I314-L344 HydrophobicContact CD1-CG 4.45Å; I314-L344 HydrophobicContact CG1-CD1 4.43Å; I314-L344 HydrophobicContact CG1-CD2 4.3Å; I314-L363 PolarHBondContact N-O 3.05Å; I314-G364 CarbonylContact O-C 3.55Å; I314-G364 VanDerWaalsContact O-CA 3.27Å; I314-G364 WeakPolarHBondContact O-CA 3.23Å; I314-F365 VanDerWaalsContact O-CD1 3.25Å; I314-F365 WeakPolarHBondContact O-CD1 3.21Å; I314-F365 PolarHBondContact O-N 3.24Å; I314-L381 HydrophobicContact CD1-CD1 3.54Å; I314-L381 HydrophobicContact CG1-CD1 4.11Å; I314-Y400 HydrophobicContact CD1-CD2 3.49Å; I314-Y400 VanDerWaalsContact CD1-CD2 3.49Å; I314-Y400 HydrophobicContact CD1-CE2 4.24Å; I314-Y400 HydrophobicContact CD1-CG 3.8Å; I314-Y400 HydrophobicContact CG2-CD2 4.02Å; I314-Y400 HydrophobicContact CG2-CE2 3.88Å
315	D	97.1	Very high	93.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	124.9	171.8	-168	-21.2	0	0	0	110.7	T317 H330 Y340 F365 T413 V441 T442	D315-T317 WeakPolarHBondContact OD1-CB 3.24Å; D315-T317 WeakPolarHBondContact OD1-CG2 3.42Å; D315-T317 PolarHBondContact OD1-N 3.13Å; D315-T317 PolarHBondContact OD1-OG1 3.27Å; D315-H330 PolarHBondContact O-CE1 2.88Å; D315-H330 PolarHBondContact O-NE2 2.86Å; D315-Y340 HydrophobicContact CB-CE1 4.18Å; D315-F365 VanDerWaalsContact CA-CZ 3.49Å; D315-F365 HydrophobicContact CB-CE1 4.16Å; D315-F365 HydrophobicContact CB-CE2 3.77Å; D315-F365 HydrophobicContact CB-CZ 3.5Å; D315-F365 VanDerWaalsContact CB-CZ 3.5Å; D315-T413 WeakPolarHBondContact OD2-CG2 3.3Å; D315-V441 WeakPolarHBondContact CB-O 3.49Å; D315-V441 PolarHBondContact N-O 3.21Å; D315-T442 WeakPolarHBondContact OD2-CB 3.32Å; D315-T442 PolarHBondContact OD2-OG1 3.31Å
316	F	97.2	Very high	94	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.2	C	C	.	.			trans	-118.3	32	174.8	-82.3	-111.5	0	0	0	110.9	I314 F365 G366 A367 F379 L381 Y400 L404 V407 L409 Y410	I314-F316 HydrophobicContact CB-CD2 4.14Å; I314-F316 HydrophobicContact CB-CE2 3.77Å; I314-F316 HydrophobicContact CG2-CD2 3.85Å; I314-F316 HydrophobicContact CG2-CE2 3.55Å; I314-F316 WeakPolarHBondContact O-CD2 3.39Å; F316-F365 PolarHBondContact N-O 2.94Å; F316-G366 VanDerWaalsContact O-O 3.13Å; F316-A367 HydrophobicContact CB-CB 3.83Å; F316-F379 HydrophobicContact CB-CZ 4.34Å; F316-F379 HydrophobicContact CD1-CZ 4.36Å; F316-F379 HydrophobicContact CD2-CZ 4.1Å; F316-F379 HydrophobicContact CE2-CZ 4.47Å; F316-F379 HydrophobicContact CG-CZ 4.04Å; F316-L381 HydrophobicContact CE2-CD2 3.61Å; F316-L381 HydrophobicContact CZ-CD2 3.83Å; F316-Y400 HydrophobicContact CE2-CD2 4.07Å; F316-Y400 HydrophobicContact CE2-CE2 4.37Å; F316-Y400 AromaticContact CZ-CD2 3.76Å; F316-Y400 HydrophobicContact CZ-CD2 3.76Å; F316-Y400 HydrophobicContact CZ-CE2 4.12Å; F316-L404 HydrophobicContact CD1-CD2 3.73Å; F316-L404 HydrophobicContact CD1-CG 4.45Å; F316-L404 HydrophobicContact CE1-CB 4.3Å; F316-L404 HydrophobicContact CE1-CD2 3.38Å; F316-L404 HydrophobicContact CE1-CG 3.61Å; F316-L404 HydrophobicContact CZ-CD2 4.12Å; F316-L404 HydrophobicContact CZ-CG 4.05Å; F316-V407 HydrophobicContact CD1-CG2 3.4Å; F316-V407 HydrophobicContact CE1-CG2 3.76Å; F316-V407 HydrophobicContact CG-CG2 4.38Å; F316-L409 HydrophobicContact CB-CD2 3.78Å; F316-L409 HydrophobicContact CD1-CD2 3.67Å; F316-L409 HydrophobicContact CG-CD2 4.12Å; F316-L409 WeakPolarHBondContact O-CA 3.35Å; F316-L409 VanDerWaalsContact O-CB 3.32Å; F316-L409 WeakPolarHBondContact O-CB 3.2Å; F316-L409 VanDerWaalsContact O-CD2 3.23Å; F316-L409 WeakPolarHBondContact O-CD2 3.32Å; F316-Y410 PolarHBondContact O-N 2.92Å
317	T	96.1	Very high	94	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-78.9	157	179.8	60.4	0	0	0	0	112.3	D315 S319 N320 Y410 T413	D315-T317 WeakPolarHBondContact OD1-CB 3.24Å; D315-T317 WeakPolarHBondContact OD1-CG2 3.42Å; D315-T317 PolarHBondContact OD1-N 3.13Å; D315-T317 PolarHBondContact OD1-OG1 3.27Å; T317-S319 PolarHBondContact O-N 2.94Å; T317-S319 PolarHBondContact OG1-OG 3.25Å; T317-N320 WeakPolarHBondContact O-CB 3.26Å; T317-N320 PolarHBondContact O-N 3.42Å; T317-N320 PolarHBondContact O-ND2 2.66Å; T317-N320 VanDerWaalsContact O-ND2 3.16Å; T317-N320 PolarHBondContact OG1-ND2 3.25Å; T317-Y410 CarbonylContact C-O 3.51Å; T317-Y410 WeakPolarHBondContact CA-O 3.42Å; T317-Y410 VanDerWaalsContact CB-O 3.26Å; T317-Y410 WeakPolarHBondContact CB-O 3.22Å; T317-T413 HydrophobicContact CG2-CG2 4.38Å; T317-T413 WeakPolarHBondContact CG2-OG1 3.35Å
318	A	94.8	Very high	94.3	Very high	56 Å²	56	34.4 Å²	34.4	46%	0.463	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-69.2	-16.8	-173.5	0	0	0	0	0	113.6	N320 G321 L409 Y410	A318-N320 PolarHBondContact O-N 3.42Å; A318-G321 PolarHBondContact O-N 2.66Å; A318-L409 HydrophobicContact CB-CB 4.49Å; A318-Y410 PolarHBondContact N-O 2.89Å
319	S	93.7	Very high	94.5	Very high	78 Å²	78	36 Å²	36	55%	0.545	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-58.5	-27	172.6	45.5	0	0	0	0	112.3	T317 G321 D443	T317-S319 PolarHBondContact O-N 2.94Å; T317-S319 PolarHBondContact OG1-OG 3.25Å; S319-G321 PolarHBondContact O-N 3.42Å; S319-D443 WeakPolarHBondContact CB-OD2 3.14Å; S319-D443 VanDerWaalsContact OG-CG 3.27Å; S319-D443 PolarHBondContact OG-OD1 3.28Å; S319-D443 PolarHBondContact OG-OD2 3.43Å
320	N	94.8	Very high	94.7	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-68	-11.9	175.2	-72.4	-76.1	0	0	0	114.8	T317 A318 S328 L329 H330 Y340 L409 D443	T317-N320 WeakPolarHBondContact O-CB 3.26Å; T317-N320 PolarHBondContact O-N 3.42Å; T317-N320 PolarHBondContact O-ND2 2.66Å; T317-N320 VanDerWaalsContact O-ND2 3.16Å; T317-N320 PolarHBondContact OG1-ND2 3.25Å; A318-N320 PolarHBondContact O-N 3.42Å; N320-S328 CarbonylContact O-C 3.55Å; N320-S328 WeakPolarHBondContact O-CA 3.06Å; N320-S328 WeakPolarHBondContact O-CB 3.12Å; N320-S328 PolarHBondContact O-OG 3.25Å; N320-L329 HydrophobicContact CB-CB 4.43Å; N320-L329 PolarHBondContact O-N 3.37Å; N320-L329 WeakPolarHBondContact OD1-CB 3.4Å; N320-L329 WeakPolarHBondContact OD1-CD1 3.26Å; N320-H330 VanDerWaalsContact CB-CD2 3.42Å; N320-H330 WeakPolarHBondContact CB-CD2 3.37Å; N320-Y340 PolarHBondContact ND2-OH 2.97Å; N320-Y340 VanDerWaalsContact OD1-CE2 3.24Å; N320-Y340 WeakPolarHBondContact OD1-CE2 3.08Å; N320-Y340 PolarHBondContact OD1-OH 2.79Å; N320-L409 HydrophobicContact CB-CD1 4.37Å; N320-D443 PolarHBondContact N-OD2 2.84Å; N320-D443 VanDerWaalsContact ND2-CG 3.25Å; N320-D443 PolarHBondContact ND2-OD1 3.47Å; N320-D443 VanDerWaalsContact OD1-CB 3.31Å; N320-D443 WeakPolarHBondContact OD1-CB 3.34Å
321	G	93.7	Very high	94.8	Very high	29 Å²	29	38 Å²	38	30%	0.299	24%	0.237	S	C	.	.			trans	72.4	171.7	-176.4	0	0	0	0	0	113.8	A318 S319 P323 S328 L409	A318-G321 PolarHBondContact O-N 2.66Å; S319-G321 PolarHBondContact O-N 3.42Å; G321-P323 WeakPolarHBondContact O-CD 3Å; G321-S328 PolarHBondContact O-OG 2.74Å; G321-S328 VanDerWaalsContact O-OG 3.05Å; G321-L409 WeakPolarHBondContact O-CD1 3.15Å
322	N	92.7	Very high	94.6	Very high	96 Å²	96	40.4 Å²	40.4	51%	0.513	25%	0.248	S	C	.	.			trans	-68.6	122.2	-175.9	-178.2	-23.6	0	0	0	111.6	A324 Q325 S328	N322-A324 PolarHBondContact O-N 3.46Å; N322-A324 WeakPolarHBondContact OD1-CB 3.39Å; N322-A324 PolarHBondContact OD1-N 3.44Å; N322-Q325 HydrophobicContact CB-CG 4.02Å; N322-Q325 WeakPolarHBondContact O-CB 3.41Å; N322-Q325 PolarHBondContact O-N 2.91Å; N322-S328 WeakPolarHBondContact O-CB 3.43Å
323	P	93.8	Very high	94.1	Very high	14 Å²	14	43 Å²	43	9%	0.091	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-18	-177.6	-25.8	34.8	0	0	0	115.6	G321 Q325 H330 M332 L404 L409	G321-P323 WeakPolarHBondContact O-CD 3Å; P323-Q325 VanDerWaalsContact C-N 3.31Å; P323-H330 HydrophobicContact CB-CB 4.12Å; P323-H330 HydrophobicContact CG-CB 4.04Å; P323-M332 HydrophobicContact CB-CE 4.25Å; P323-L404 HydrophobicContact CB-CD2 4.48Å; P323-L404 HydrophobicContact CG-CD2 3.94Å; P323-L409 HydrophobicContact CG-CD1 3.9Å; P323-L409 HydrophobicContact CG-CG 4.38Å
324	A	90.5	Very high	93.5	Very high	69 Å²	69	48 Å²	48	57%	0.57	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.2	174.2	0	0	0	0	0	113.5	N322	N322-A324 PolarHBondContact O-N 3.46Å; N322-A324 WeakPolarHBondContact OD1-CB 3.39Å; N322-A324 PolarHBondContact OD1-N 3.44Å
325	Q	93.6	Very high	92.8	Very high	102 Å²	102	58.1 Å²	58.1	48%	0.477	34%	0.335	S	S	.	.	S	Bend	trans	-98.1	135.6	-176.5	-63.3	-62.3	-30.1	0	0	111.1	N322 P323 T327 S328 Y331	N322-Q325 HydrophobicContact CB-CG 4.02Å; N322-Q325 WeakPolarHBondContact O-CB 3.41Å; N322-Q325 PolarHBondContact O-N 2.91Å; P323-Q325 VanDerWaalsContact C-N 3.31Å; Q325-T327 PolarHBondContact O-N 3.11Å; Q325-S328 WeakPolarHBondContact O-CB 3.44Å; Q325-S328 PolarHBondContact O-N 3.28Å; Q325-Y331 VanDerWaalsContact C-CD2 3.43Å; Q325-Y331 VanDerWaalsContact O-CD2 3.25Å; Q325-Y331 WeakPolarHBondContact O-CD2 3.35Å
326	P	91.9	Very high	92.3	Very high	89 Å²	89	63.3 Å²	63.3	58%	0.578	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20	178.4	-26.2	35	0	0	0	115.3	S328 Y331	P326-S328 VanDerWaalsContact C-N 3.31Å; P326-Y331 HydrophobicContact CB-CD1 4.48Å; P326-Y331 HydrophobicContact CB-CE1 4.29Å; P326-Y331 HydrophobicContact CB-CE2 4.45Å; P326-Y331 HydrophobicContact CG-CE2 4.1Å
327	T	92.1	Very high	92	Very high	134 Å²	134	66.1 Å²	66.1	82%	0.822	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8	177.6	56.3	0	0	0	0	113.4	Q325	Q325-T327 PolarHBondContact O-N 3.11Å
328	S	95.1	Very high	91.8	Very high	8 Å²	8	66.8 Å²	66.8	6%	0.056	38%	0.377	C	S	.	.	S	Bend	trans	-77.5	142.6	179.3	175.1	0	0	0	0	111.7	N320 G321 N322 Q325 P326 H330 Y331	N320-S328 CarbonylContact O-C 3.55Å; N320-S328 WeakPolarHBondContact O-CA 3.06Å; N320-S328 WeakPolarHBondContact O-CB 3.12Å; N320-S328 PolarHBondContact O-OG 3.25Å; G321-S328 PolarHBondContact O-OG 2.74Å; G321-S328 VanDerWaalsContact O-OG 3.05Å; N322-S328 WeakPolarHBondContact O-CB 3.43Å; Q325-S328 WeakPolarHBondContact O-CB 3.44Å; Q325-S328 PolarHBondContact O-N 3.28Å; P326-S328 VanDerWaalsContact C-N 3.31Å; S328-H330 PolarHBondContact O-N 3.31Å; S328-H330 PolarHBondContact OG-N 3.03Å; S328-Y331 VanDerWaalsContact O-CB 3.26Å; S328-Y331 WeakPolarHBondContact O-CB 3.37Å; S328-Y331 PolarHBondContact O-N 2.79Å; S328-Y331 VanDerWaalsContact O-N 3.1Å
329	L	94.6	Very high	91.6	Very high	39 Å²	39	64.9 Å²	64.9	20%	0.204	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20	171.6	-61.4	176.6	0	0	0	112.2	N320 N338 Y340 D443 V471	N320-L329 HydrophobicContact CB-CB 4.43Å; N320-L329 PolarHBondContact O-N 3.37Å; N320-L329 WeakPolarHBondContact OD1-CB 3.4Å; N320-L329 WeakPolarHBondContact OD1-CD1 3.26Å; L329-N338 WeakPolarHBondContact O-CB 3.49Å; L329-Y340 HydrophobicContact CB-CD2 4.45Å; L329-Y340 HydrophobicContact CB-CE2 3.94Å; L329-D443 HydrophobicContact CD1-CB 3.4Å; L329-D443 VanDerWaalsContact CD1-CB 3.4Å; L329-V471 HydrophobicContact CD1-CG2 4.49Å
330	H	96.4	Very high	91.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	11.9	171.9	-70.7	-53	0	0	0	113.7	D315 N320 P323 S328 M332 N338 Y340 Y400 L404	D315-H330 PolarHBondContact O-CE1 2.88Å; D315-H330 PolarHBondContact O-NE2 2.86Å; N320-H330 VanDerWaalsContact CB-CD2 3.42Å; N320-H330 WeakPolarHBondContact CB-CD2 3.37Å; P323-H330 HydrophobicContact CB-CB 4.12Å; P323-H330 HydrophobicContact CG-CB 4.04Å; S328-H330 PolarHBondContact O-N 3.31Å; S328-H330 PolarHBondContact OG-N 3.03Å; H330-M332 PolarHBondContact O-N 3.32Å; H330-M332 VanDerWaalsContact O-N 3.16Å; H330-N338 PolarHBondContact O-ND2 2.78Å; H330-Y340 AromaticContact CE1-CD1 3.91Å; H330-Y340 AromaticContact CE1-CD2 3.56Å; H330-Y340 AromaticContact CE1-CE1 3.76Å; H330-Y340 AromaticContact CE1-CE2 3.43Å; H330-Y340 VanDerWaalsContact CE1-CE2 3.43Å; H330-Y340 WeakPolarHBondContact CE1-CE2 3.24Å; H330-Y340 AromaticContact CE1-CG 3.81Å; H330-Y340 AromaticContact CE1-CZ 3.55Å; H330-Y340 AromaticContact ND1-CD2 3.47Å; H330-Y340 WeakPolarHBondContact ND1-CD2 3.5Å; H330-Y340 AromaticContact ND1-CE2 3.7Å; H330-Y340 AromaticContact ND1-CG 3.87Å; H330-Y400 AromaticContact CE1-CE2 3.98Å; H330-Y400 AromaticContact ND1-CE2 3.7Å; H330-Y400 AromaticContact ND1-CZ 3.69Å; H330-Y400 PolarHBondContact ND1-OH 2.75Å; H330-L404 HydrophobicContact CB-CD1 4.03Å; H330-L404 HydrophobicContact CB-CD2 3.83Å
331	Y	95.2	Very high	91.7	Very high	69 Å²	69	61 Å²	61	27%	0.271	34%	0.335	S	S	.	.			trans	-53.6	126.3	-176	179.9	-123.1	0	0	0	111.9	Q325 P326 S328 N333 N338	Q325-Y331 VanDerWaalsContact C-CD2 3.43Å; Q325-Y331 VanDerWaalsContact O-CD2 3.25Å; Q325-Y331 WeakPolarHBondContact O-CD2 3.35Å; P326-Y331 HydrophobicContact CB-CD1 4.48Å; P326-Y331 HydrophobicContact CB-CE1 4.29Å; P326-Y331 HydrophobicContact CB-CE2 4.45Å; P326-Y331 HydrophobicContact CG-CE2 4.1Å; S328-Y331 VanDerWaalsContact O-CB 3.26Å; S328-Y331 WeakPolarHBondContact O-CB 3.37Å; S328-Y331 PolarHBondContact O-N 2.79Å; S328-Y331 VanDerWaalsContact O-N 3.1Å; Y331-N333 HydrophobicContact CD1-CB 3.89Å; Y331-N333 HydrophobicContact CE1-CB 3.73Å; Y331-N333 PolarHBondContact O-N 2.85Å; Y331-N338 PolarHBondContact O-ND2 2.97Å; Y331-N338 VanDerWaalsContact O-ND2 3.08Å
332	M	90	Very high	91.6	Very high	61 Å²	61	60.5 Å²	60.5	30%	0.3	33%	0.325	S	S	.	.			trans	-89.3	76.9	-179.3	-70.1	-176.6	-76.3	0	0	110.5	P323 H330 Y401 L404 K405	P323-M332 HydrophobicContact CB-CE 4.25Å; H330-M332 PolarHBondContact O-N 3.32Å; H330-M332 VanDerWaalsContact O-N 3.16Å; M332-Y401 HydrophobicContact CG-CD1 3.88Å; M332-Y401 HydrophobicContact CG-CE1 4.21Å; M332-Y401 HydrophobicContact SD-CD1 4.2Å; M332-L404 HydrophobicContact CG-CD1 4.41Å; M332-L404 HydrophobicContact SD-CB 4.38Å; M332-K405 HydrophobicContact CE-CG 4.08Å; M332-K405 HydrophobicContact SD-CG 4.26Å
333	N	87.1	Confident	91.6	Very high	55 Å²	55	56 Å²	56	29%	0.294	30%	0.3	S	S	.	.			trans	-73.6	132.5	174.8	-175	-36.6	0	0	0	110.4	Y331 Y335 Q336	Y331-N333 HydrophobicContact CD1-CB 3.89Å; Y331-N333 HydrophobicContact CE1-CB 3.73Å; Y331-N333 PolarHBondContact O-N 2.85Å; N333-Y335 PolarHBondContact O-N 3.01Å; N333-Y335 PolarHBondContact OD1-N 3.37Å; N333-Q336 WeakPolarHBondContact CB-O 3.42Å; N333-Q336 PolarHBondContact OD1-N 3.1Å
334	P	84.9	Confident	91.6	Very high	105 Å²	105	55.3 Å²	55.3	68%	0.682	30%	0.296	S	S	*	.	S	Bend	trans	-69.1	-15.3	179.5	26.2	-34.2	0	0	0	115
335	Y	84.7	Confident	91.7	Very high	212 Å²	212	54.8 Å²	54.8	83%	0.831	28%	0.281	S	S	*	.	S	Bend	trans	-114.3	-19.8	-174.4	-57.3	-69.5	0	0	0	114.3	N333	N333-Y335 PolarHBondContact O-N 3.01Å; N333-Y335 PolarHBondContact OD1-N 3.37Å
336	Q	85.8	Confident	91.5	Very high	108 Å²	108	50.1 Å²	50.1	51%	0.505	26%	0.26	S	S	.	.	S	Bend	trans	-139	144.6	-172.9	-69.9	-176.4	-17.2	0	0	111.3	N333	N333-Q336 WeakPolarHBondContact CB-O 3.42Å; N333-Q336 PolarHBondContact OD1-N 3.1Å
337	L	90.1	Very high	91.4	Very high	60 Å²	60	45.9 Å²	45.9	31%	0.314	23%	0.232	S	C	.	.			trans	-73.1	141.8	172.6	-62.2	177.3	0	0	0	110.1	M342 K345 M397 Y401	L337-M342 HydrophobicContact CB-CG 3.76Å; L337-K345 HydrophobicContact CD1-CB 4.37Å; L337-K345 HydrophobicContact CD1-CD 3.75Å; L337-M397 HydrophobicContact CD1-CE 4.28Å; L337-M397 HydrophobicContact CD2-CE 3.62Å; L337-Y401 HydrophobicContact CD2-CE2 4.48Å; L337-Y401 VanDerWaalsContact CD2-OH 3.32Å; L337-Y401 WeakPolarHBondContact CD2-OH 3.48Å
338	N	92.5	Very high	91.4	Very high	16 Å²	16	39.6 Å²	39.6	9%	0.086	19%	0.194	C	C	.	.			trans	-75.4	175.2	167.5	60.9	41.7	0	0	0	111.4	L329 H330 Y331 Y340 G341 M342 Y400	L329-N338 WeakPolarHBondContact O-CB 3.49Å; H330-N338 PolarHBondContact O-ND2 2.78Å; Y331-N338 PolarHBondContact O-ND2 2.97Å; Y331-N338 VanDerWaalsContact O-ND2 3.08Å; N338-Y340 VanDerWaalsContact C-N 3.3Å; N338-Y340 PolarHBondContact O-N 2.91Å; N338-Y340 WeakPolarHBondContact OD1-CB 3.43Å; N338-Y340 PolarHBondContact OD1-N 2.87Å; N338-G341 PolarHBondContact O-N 3.21Å; N338-G341 VanDerWaalsContact O-N 3.1Å; N338-G341 PolarHBondContact OD1-N 3.4Å; N338-M342 WeakPolarHBondContact O-CG 3.17Å; N338-M342 PolarHBondContact O-N 2.79Å; N338-Y400 PolarHBondContact ND2-OH 3.18Å; N338-Y400 PolarHBondContact OD1-OH 3.19Å
339	A	91.5	Very high	91.1	Very high	16 Å²	16	41 Å²	41	13%	0.132	20%	0.199	C	C	.	.	H	α-helix	trans	-57.6	-42	-175.9	0	0	0	0	0	112.8	M342 A343 V471 F506	A339-M342 PolarHBondContact O-N 3.41Å; A339-A343 WeakPolarHBondContact O-CB 3.48Å; A339-A343 PolarHBondContact O-N 3.02Å; A339-V471 HydrophobicContact CB-CB 3.88Å; A339-V471 HydrophobicContact CB-CG1 3.88Å; A339-F506 HydrophobicContact CB-CD1 4.03Å; A339-F506 HydrophobicContact CB-CE1 4.1Å
340	Y	95.3	Very high	90.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-50.9	173.1	-73	-92.8	0	0	0	111.6	I314 D315 N320 L329 H330 N338 M342 A343 L344 Y400 V441 D443 V471	I314-Y340 HydrophobicContact CG2-CD1 3.72Å; I314-Y340 HydrophobicContact CG2-CE1 3.97Å; D315-Y340 HydrophobicContact CB-CE1 4.18Å; N320-Y340 PolarHBondContact ND2-OH 2.97Å; N320-Y340 VanDerWaalsContact OD1-CE2 3.24Å; N320-Y340 WeakPolarHBondContact OD1-CE2 3.08Å; N320-Y340 PolarHBondContact OD1-OH 2.79Å; L329-Y340 HydrophobicContact CB-CD2 4.45Å; L329-Y340 HydrophobicContact CB-CE2 3.94Å; H330-Y340 AromaticContact CE1-CD1 3.91Å; H330-Y340 AromaticContact CE1-CD2 3.56Å; H330-Y340 AromaticContact CE1-CE1 3.76Å; H330-Y340 AromaticContact CE1-CE2 3.43Å; H330-Y340 VanDerWaalsContact CE1-CE2 3.43Å; H330-Y340 WeakPolarHBondContact CE1-CE2 3.24Å; H330-Y340 AromaticContact CE1-CG 3.81Å; H330-Y340 AromaticContact CE1-CZ 3.55Å; H330-Y340 AromaticContact ND1-CD2 3.47Å; H330-Y340 WeakPolarHBondContact ND1-CD2 3.5Å; H330-Y340 AromaticContact ND1-CE2 3.7Å; H330-Y340 AromaticContact ND1-CG 3.87Å; N338-Y340 VanDerWaalsContact C-N 3.3Å; N338-Y340 PolarHBondContact O-N 2.91Å; N338-Y340 WeakPolarHBondContact OD1-CB 3.43Å; N338-Y340 PolarHBondContact OD1-N 2.87Å; Y340-M342 VanDerWaalsContact C-N 3.3Å; Y340-M342 PolarHBondContact O-N 2.9Å; Y340-A343 PolarHBondContact O-N 3.32Å; Y340-L344 WeakPolarHBondContact O-CB 3.41Å; Y340-L344 WeakPolarHBondContact O-CG 3.41Å; Y340-L344 PolarHBondContact O-N 2.8Å; Y340-Y400 VanDerWaalsContact CB-OH 3.31Å; Y340-Y400 WeakPolarHBondContact CB-OH 3.35Å; Y340-V441 HydrophobicContact CD1-CB 3.8Å; Y340-V441 HydrophobicContact CD1-CG1 3.36Å; Y340-V441 HydrophobicContact CE1-CB 4.01Å; Y340-V441 HydrophobicContact CE1-CG1 3.67Å; Y340-V441 WeakPolarHBondContact CE1-O 2.82Å; Y340-V441 HydrophobicContact CG-CG1 4.13Å; Y340-D443 PolarHBondContact OH-N 3.32Å; Y340-V471 HydrophobicContact CD2-CG2 3.98Å; Y340-V471 HydrophobicContact CE1-CG2 4.14Å; Y340-V471 HydrophobicContact CE2-CG2 3.41Å; Y340-V471 VanDerWaalsContact CE2-CG2 3.41Å; Y340-V471 VanDerWaalsContact CZ-CG2 3.49Å
341	G	94.2	Very high	90.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-37.7	179.4	0	0	0	0	0	113.3	N338 K345	N338-G341 PolarHBondContact O-N 3.21Å; N338-G341 VanDerWaalsContact O-N 3.1Å; N338-G341 PolarHBondContact OD1-N 3.4Å; G341-K345 VanDerWaalsContact O-CB 3.25Å; G341-K345 WeakPolarHBondContact O-CB 3.45Å; G341-K345 PolarHBondContact O-N 3.41Å
342	M	91.8	Very high	90	Very high	18 Å²	18	38 Å²	38	9%	0.089	19%	0.187	C	C	.	.	H	α-helix	trans	-66.6	-45	174.3	-72.5	-171.7	-77.3	0	0	111.9	L337 N338 A339 Y340 K345 A346 F506 H516 M520	L337-M342 HydrophobicContact CB-CG 3.76Å; N338-M342 WeakPolarHBondContact O-CG 3.17Å; N338-M342 PolarHBondContact O-N 2.79Å; A339-M342 PolarHBondContact O-N 3.41Å; Y340-M342 VanDerWaalsContact C-N 3.3Å; Y340-M342 PolarHBondContact O-N 2.9Å; M342-K345 PolarHBondContact O-N 2.72Å; M342-A346 WeakPolarHBondContact O-CB 3.08Å; M342-A346 PolarHBondContact O-N 2.86Å; M342-F506 HydrophobicContact CB-CE1 4.29Å; M342-F506 HydrophobicContact CB-CE2 4.39Å; M342-F506 HydrophobicContact CB-CZ 3.64Å; M342-F506 HydrophobicContact CE-CE1 3.79Å; M342-F506 HydrophobicContact CE-CZ 4.02Å; M342-F506 HydrophobicContact SD-CZ 4.16Å; M342-H516 HydrophobicContact SD-CB 4.33Å; M342-H516 PolarHBondContact SD-ND1 3.29Å; M342-H516 VanDerWaalsContact SD-ND1 3.44Å; M342-M520 HydrophobicContact CB-CG 4.42Å
343	A	92.6	Very high	89.9	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-63	-46.7	178.6	0	0	0	0	0	112.1	A339 Y340 K345 A346 V347 V441 V469 L523	A339-A343 WeakPolarHBondContact O-CB 3.48Å; A339-A343 PolarHBondContact O-N 3.02Å; Y340-A343 PolarHBondContact O-N 3.32Å; A343-K345 PolarHBondContact O-N 3.46Å; A343-A346 PolarHBondContact O-N 2.77Å; A343-V347 WeakPolarHBondContact O-CG2 3.21Å; A343-V347 PolarHBondContact O-N 3.37Å; A343-V347 VanDerWaalsContact O-N 3.11Å; A343-V441 HydrophobicContact CB-CG1 4.24Å; A343-V441 HydrophobicContact CB-CG2 4.48Å; A343-V469 HydrophobicContact CB-CG1 3.91Å; A343-L523 HydrophobicContact CB-CD2 4.01Å
344	L	94.1	Very high	89.8	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.4	-49.7	175.8	-69.1	171.3	0	0	0	111.2	V312 I314 Y340 G348 I393 M397 Y400 L439 V441	V312-L344 HydrophobicContact CB-CD2 4.45Å; V312-L344 HydrophobicContact CG1-CD2 3.26Å; V312-L344 HydrophobicContact CG2-CD2 4.35Å; I314-L344 HydrophobicContact CD1-CD1 3.57Å; I314-L344 HydrophobicContact CD1-CD2 4.18Å; I314-L344 HydrophobicContact CD1-CG 4.45Å; I314-L344 HydrophobicContact CG1-CD1 4.43Å; I314-L344 HydrophobicContact CG1-CD2 4.3Å; Y340-L344 WeakPolarHBondContact O-CB 3.41Å; Y340-L344 WeakPolarHBondContact O-CG 3.41Å; Y340-L344 PolarHBondContact O-N 2.8Å; L344-G348 WeakPolarHBondContact O-CA 3.43Å; L344-G348 PolarHBondContact O-N 2.95Å; L344-I393 HydrophobicContact CB-CD1 4.36Å; L344-I393 WeakPolarHBondContact O-CD1 3.14Å; L344-M397 HydrophobicContact CB-SD 3.76Å; L344-M397 HydrophobicContact CD1-SD 3.77Å; L344-M397 HydrophobicContact CG-SD 4.44Å; L344-Y400 HydrophobicContact CD1-CD1 4.27Å; L344-Y400 HydrophobicContact CD1-CG 4.37Å; L344-L439 HydrophobicContact CD2-CD2 4.2Å; L344-V441 HydrophobicContact CD2-CG2 4.22Å
345	K	92	Very high	89.8	Confident	59 Å²	59	29.1 Å²	29.1	26%	0.257	14%	0.135	S	C	.	.	H	α-helix	trans	-64.6	-43	-179.9	-169.8	168.9	-176	157.8	0	111.9	L337 G341 M342 A343 E349 E394 M520	L337-K345 HydrophobicContact CD1-CB 4.37Å; L337-K345 HydrophobicContact CD1-CD 3.75Å; G341-K345 VanDerWaalsContact O-CB 3.25Å; G341-K345 WeakPolarHBondContact O-CB 3.45Å; G341-K345 PolarHBondContact O-N 3.41Å; M342-K345 PolarHBondContact O-N 2.72Å; A343-K345 PolarHBondContact O-N 3.46Å; K345-E349 WeakPolarHBondContact CE-OE1 3.34Å; K345-E349 HydrophobicContact CG-CG 4.03Å; K345-E349 IonicContact NZ-OE1 3.87Å; K345-E349 VanDerWaalsContact O-CB 3.22Å; K345-E349 WeakPolarHBondContact O-CB 3.47Å; K345-E349 WeakPolarHBondContact O-CG 3.31Å; K345-E349 PolarHBondContact O-N 3.2Å; K345-E394 IonicContact NZ-OE1 2.73Å; K345-M520 HydrophobicContact CB-CE 4.1Å; K345-M520 HydrophobicContact CD-CE 4.17Å; K345-M520 HydrophobicContact CG-CE 3.81Å
346	A	89.8	Confident	89.5	Confident	4 Å²	4	23 Å²	23	3%	0.033	12%	0.123	C	C	.	.	H	α-helix	trans	-58.6	-51.3	-179.2	0	0	0	0	0	112.2	M342 A343 M520 L523 A524	M342-A346 WeakPolarHBondContact O-CB 3.08Å; M342-A346 PolarHBondContact O-N 2.86Å; A343-A346 PolarHBondContact O-N 2.77Å; A346-M520 HydrophobicContact CB-CB 3.76Å; A346-M520 HydrophobicContact CB-CE 4.32Å; A346-M520 HydrophobicContact CB-CG 4.01Å; A346-M520 WeakPolarHBondContact CB-O 3.32Å; A346-L523 HydrophobicContact CB-CD2 3.9Å; A346-A524 HydrophobicContact CB-CB 4.47Å
347	V	90.4	Very high	89.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-77.3	-47.3	-177.6	-178.1	0	0	0	0	110.6	F310 A343 E349 I350 V351 L439 V527 L528	F310-V347 HydrophobicContact CE2-CG1 3.93Å; F310-V347 HydrophobicContact CZ-CG1 3.68Å; A343-V347 WeakPolarHBondContact O-CG2 3.21Å; A343-V347 PolarHBondContact O-N 3.37Å; A343-V347 VanDerWaalsContact O-N 3.11Å; V347-E349 VanDerWaalsContact C-N 3.28Å; V347-E349 PolarHBondContact O-N 3.02Å; V347-I350 PolarHBondContact O-N 2.73Å; V347-V351 HydrophobicContact CG1-CG1 4.07Å; V347-V351 WeakPolarHBondContact O-CG2 3.2Å; V347-V351 PolarHBondContact O-N 3.08Å; V347-V351 VanDerWaalsContact O-N 3.15Å; V347-L439 HydrophobicContact CB-CD2 4.1Å; V347-L439 HydrophobicContact CG1-CD2 4.22Å; V347-L439 HydrophobicContact CG2-CD2 4.4Å; V347-V527 HydrophobicContact CG1-CG1 4.25Å; V347-V527 HydrophobicContact CG2-CB 4.39Å; V347-V527 HydrophobicContact CG2-CG1 3.75Å; V347-L528 HydrophobicContact CG1-CD2 4.04Å; V347-L528 HydrophobicContact CG1-CG 4.45Å
348	G	90.6	Very high	89.5	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-60.1	-34.3	-176.5	0	0	0	0	0	113.8	L344 I350 Q352	L344-G348 WeakPolarHBondContact O-CA 3.43Å; L344-G348 PolarHBondContact O-N 2.95Å; G348-I350 VanDerWaalsContact C-N 3.26Å; G348-I350 PolarHBondContact O-N 3.43Å; G348-Q352 WeakPolarHBondContact O-CB 3.38Å; G348-Q352 VanDerWaalsContact O-CG 3.29Å; G348-Q352 WeakPolarHBondContact O-CG 3.37Å; G348-Q352 PolarHBondContact O-N 3.2Å
349	E	89.3	Confident	89.5	Confident	37 Å²	37	24.4 Å²	24.4	17%	0.173	13%	0.13	C	C	.	.	H	α-helix	trans	-66.1	-26.3	-179.9	-82.8	-171.7	167.3	0	0	114.2	R90 K345 V347 Q352 I393	R90-E349 IonicContact CZ-OE2 3.82Å; R90-E349 IonicContact NH1-OE1 2.8Å; R90-E349 PolarHBondContact NH1-OE1 2.98Å; R90-E349 IonicContact NH1-OE2 3.35Å; R90-E349 PolarHBondContact NH1-OE2 3.18Å; K345-E349 WeakPolarHBondContact CE-OE1 3.34Å; K345-E349 HydrophobicContact CG-CG 4.03Å; K345-E349 IonicContact NZ-OE1 3.87Å; K345-E349 VanDerWaalsContact O-CB 3.22Å; K345-E349 WeakPolarHBondContact O-CB 3.47Å; K345-E349 WeakPolarHBondContact O-CG 3.31Å; K345-E349 PolarHBondContact O-N 3.2Å; V347-E349 VanDerWaalsContact C-N 3.28Å; V347-E349 PolarHBondContact O-N 3.02Å; E349-Q352 VanDerWaalsContact CA-NE2 3.34Å; E349-Q352 PolarHBondContact O-NE2 3.27Å; E349-Q352 VanDerWaalsContact O-NE2 3.09Å; E349-I393 HydrophobicContact CG-CG2 4.29Å
350	I	88.7	Confident	89.7	Confident	10 Å²	10	23.8 Å²	23.8	5%	0.051	12%	0.124	C	C	.	.	H	α-helix	trans	-92.9	-50.7	-179.6	-69.6	155.3	0	0	0	110.4	F87 E88 R90 V347 G348 Q352 D353 Y354 A524 L528	F87-I350 WeakPolarHBondContact O-CG2 3.38Å; E88-I350 WeakPolarHBondContact O-CD1 3.45Å; R90-I350 HydrophobicContact CB-CG1 3.99Å; V347-I350 PolarHBondContact O-N 2.73Å; G348-I350 VanDerWaalsContact C-N 3.26Å; G348-I350 PolarHBondContact O-N 3.43Å; I350-Q352 PolarHBondContact O-N 2.91Å; I350-D353 PolarHBondContact O-N 3.37Å; I350-Y354 HydrophobicContact CG2-CE2 4.36Å; I350-Y354 WeakPolarHBondContact O-CE2 3.26Å; I350-A524 HydrophobicContact CD1-CB 3.42Å; I350-A524 VanDerWaalsContact CD1-CB 3.42Å; I350-L528 HydrophobicContact CB-CD1 3.82Å; I350-L528 HydrophobicContact CD1-CD1 4.15Å; I350-L528 HydrophobicContact CG2-CD1 3.54Å
351	V	86.2	Confident	89.8	Confident	6 Å²	6	24.4 Å²	24.4	4%	0.036	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-27.8	-174.8	-60.2	0	0	0	0	113.1	F310 V347 D353 Y354 L528	F310-V351 HydrophobicContact CB-CG2 4.17Å; F310-V351 HydrophobicContact CD1-CG2 3.67Å; F310-V351 HydrophobicContact CD2-CB 4.11Å; F310-V351 HydrophobicContact CD2-CG1 4.19Å; F310-V351 HydrophobicContact CD2-CG2 3.75Å; F310-V351 HydrophobicContact CE1-CG2 3.83Å; F310-V351 HydrophobicContact CE2-CB 4.45Å; F310-V351 HydrophobicContact CE2-CG1 4.16Å; F310-V351 HydrophobicContact CE2-CG2 3.94Å; F310-V351 HydrophobicContact CG-CB 4.28Å; F310-V351 HydrophobicContact CG-CG2 3.6Å; F310-V351 HydrophobicContact CZ-CG2 3.96Å; V347-V351 HydrophobicContact CG1-CG1 4.07Å; V347-V351 WeakPolarHBondContact O-CG2 3.2Å; V347-V351 PolarHBondContact O-N 3.08Å; V347-V351 VanDerWaalsContact O-N 3.15Å; V351-D353 PolarHBondContact O-N 2.91Å; V351-D353 VanDerWaalsContact O-N 3.13Å; V351-Y354 PolarHBondContact O-N 3.32Å; V351-L528 HydrophobicContact CG1-CD1 3.96Å; V351-L528 HydrophobicContact CG1-CD2 3.54Å; V351-L528 HydrophobicContact CG1-CG 4.43Å
352	Q	88.9	Confident	89.9	Confident	29 Å²	29	24.4 Å²	24.4	14%	0.136	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.6	179.1	69.9	179.9	-31.6	0	0	114.6	G348 E349 I350 Y354 K358 F360	G348-Q352 WeakPolarHBondContact O-CB 3.38Å; G348-Q352 VanDerWaalsContact O-CG 3.29Å; G348-Q352 WeakPolarHBondContact O-CG 3.37Å; G348-Q352 PolarHBondContact O-N 3.2Å; E349-Q352 VanDerWaalsContact CA-NE2 3.34Å; E349-Q352 PolarHBondContact O-NE2 3.27Å; E349-Q352 VanDerWaalsContact O-NE2 3.09Å; I350-Q352 PolarHBondContact O-N 2.91Å; Q352-Y354 VanDerWaalsContact C-N 3.25Å; Q352-K358 WeakPolarHBondContact O-CE 3.42Å; Q352-F360 HydrophobicContact CB-CE2 3.83Å; Q352-F360 HydrophobicContact CB-CZ 3.48Å; Q352-F360 VanDerWaalsContact CB-CZ 3.48Å
353	D	88.3	Confident	90.2	Very high	19 Å²	19	23.6 Å²	23.6	10%	0.102	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-14.3	176.8	-72.2	-16.6	0	0	0	112.1	T119 I350 V351 K358	T119-D353 PolarHBondContact OG1-OD2 3.33Å; I350-D353 PolarHBondContact O-N 3.37Å; V351-D353 PolarHBondContact O-N 2.91Å; V351-D353 VanDerWaalsContact O-N 3.13Å; D353-K358 IonicContact OD1-NZ 3.06Å
354	Y	85.1	Confident	90.4	Very high	9 Å²	9	23.6 Å²	23.6	4%	0.035	12%	0.124	C	C	.	.	S	Bend	trans	-107.8	1.6	179.5	-52	-84.8	0	0	0	113.3	Y85 F87 V124 I308 I350 V351 Q352	Y85-Y354 WeakPolarHBondContact CE2-OH 3.35Å; Y85-Y354 VanDerWaalsContact OH-CE1 3.28Å; Y85-Y354 WeakPolarHBondContact OH-CE1 3.37Å; Y85-Y354 PolarHBondContact OH-OH 3.41Å; F87-Y354 HydrophobicContact CD2-CD1 4.47Å; F87-Y354 HydrophobicContact CD2-CD2 4.29Å; F87-Y354 AromaticContact CD2-CE1 3.97Å; F87-Y354 HydrophobicContact CD2-CE1 3.97Å; F87-Y354 AromaticContact CD2-CE2 3.76Å; F87-Y354 HydrophobicContact CD2-CE2 3.76Å; F87-Y354 AromaticContact CD2-CZ 3.59Å; F87-Y354 HydrophobicContact CE2-CD1 4.18Å; F87-Y354 AromaticContact CE2-CD2 3.66Å; F87-Y354 HydrophobicContact CE2-CD2 3.66Å; F87-Y354 HydrophobicContact CE2-CE1 4.12Å; F87-Y354 AromaticContact CE2-CE2 3.58Å; F87-Y354 HydrophobicContact CE2-CE2 3.58Å; F87-Y354 AromaticContact CE2-CG 3.97Å; F87-Y354 HydrophobicContact CE2-CG 3.97Å; F87-Y354 AromaticContact CE2-CZ 3.83Å; F87-Y354 HydrophobicContact CZ-CD2 4.49Å; V124-Y354 HydrophobicContact CG2-CE1 3.98Å; I308-Y354 PolarHBondContact N-O 3.32Å; I350-Y354 HydrophobicContact CG2-CE2 4.36Å; I350-Y354 WeakPolarHBondContact O-CE2 3.26Å; V351-Y354 PolarHBondContact O-N 3.32Å; Q352-Y354 VanDerWaalsContact C-N 3.25Å
355	D	84.3	Confident	90.6	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.043	12%	0.124	C	C	.	.			trans	-103	120.5	170.7	-168	-51	0	0	0	108.7	D357 K358 F360	D355-D357 PolarHBondContact OD1-N 3.27Å; D355-D357 VanDerWaalsContact OD1-N 3.11Å; D355-K358 WeakPolarHBondContact O-CG 3.49Å; D355-K358 PolarHBondContact OD1-N 2.71Å; D355-F360 HydrophobicContact CB-CE1 3.72Å; D355-F360 HydrophobicContact CB-CZ 4.05Å
356	S	78.7	Confident	90.8	Very high	83 Å²	83	20.8 Å²	20.8	58%	0.58	11%	0.112	S	C	*	.	S	Bend	trans	-74	-30.2	-171.8	57.5	0	0	0	0	114.1	Q307	Q307-S356 PolarHBondContact NE2-OG 3.46Å
357	D	85.1	Confident	91.1	Very high	89 Å²	89	20.6 Å²	20.6	48%	0.476	11%	0.111	S	C	.	.	S	Bend	trans	-99.9	-14.8	179.4	70	17.9	0	0	0	112.3	D355 M359	D355-D357 PolarHBondContact OD1-N 3.27Å; D355-D357 VanDerWaalsContact OD1-N 3.11Å; D357-M359 HydrophobicContact CB-CG 4.22Å; D357-M359 PolarHBondContact O-N 2.62Å; D357-M359 VanDerWaalsContact OD1-CB 3.28Å; D357-M359 WeakPolarHBondContact OD1-CB 3.25Å; D357-M359 PolarHBondContact OD1-N 2.82Å
358	K	90.3	Very high	91.4	Very high	65 Å²	65	23 Å²	23	28%	0.283	12%	0.121	S	C	.	.			trans	58.6	26.3	-179.8	-52.2	-167.8	178.3	-148.2	0	112.2	Q352 D353 D355 F360 G392	Q352-K358 WeakPolarHBondContact O-CE 3.42Å; D353-K358 IonicContact OD1-NZ 3.06Å; D355-K358 WeakPolarHBondContact O-CG 3.49Å; D355-K358 PolarHBondContact OD1-N 2.71Å; K358-F360 HydrophobicContact CB-CE2 4.36Å; K358-F360 HydrophobicContact CB-CZ 4.36Å; K358-F360 WeakPolarHBondContact O-CE2 3.33Å; K358-G392 PolarHBondContact O-N 3.1Å
359	M	93.4	Very high	91.5	Very high	59 Å²	59	23.7 Å²	23.7	29%	0.291	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	108.5	177.9	-63.2	-62.9	-57.3	0	0	108.9	D357 Y389 C390 D391	D357-M359 HydrophobicContact CB-CG 4.22Å; D357-M359 PolarHBondContact O-N 2.62Å; D357-M359 VanDerWaalsContact OD1-CB 3.28Å; D357-M359 WeakPolarHBondContact OD1-CB 3.25Å; D357-M359 PolarHBondContact OD1-N 2.82Å; M359-Y389 HydrophobicContact CB-CD1 3.72Å; M359-Y389 HydrophobicContact CB-CG 4.44Å; M359-Y389 VanDerWaalsContact O-CD1 3.26Å; M359-Y389 WeakPolarHBondContact O-CD1 3.25Å; M359-C390 WeakPolarHBondContact CA-O 3.49Å; M359-D391 HydrophobicContact SD-CB 4.27Å
360	F	94.8	Very high	91.6	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.013	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.9	-174.8	-56.9	-61.5	0	0	0	111.9	F310 Q352 D355 K358 A362 Y389 C390 V396	F310-F360 HydrophobicContact CB-CD1 3.75Å; F310-F360 HydrophobicContact CB-CE1 3.86Å; F310-F360 HydrophobicContact CD1-CD1 4.08Å; F310-F360 HydrophobicContact CD1-CE1 4.5Å; F310-F360 HydrophobicContact CG-CD1 4.43Å; F310-F360 WeakPolarHBondContact O-CD1 3.25Å; Q352-F360 HydrophobicContact CB-CE2 3.83Å; Q352-F360 HydrophobicContact CB-CZ 3.48Å; Q352-F360 VanDerWaalsContact CB-CZ 3.48Å; D355-F360 HydrophobicContact CB-CE1 3.72Å; D355-F360 HydrophobicContact CB-CZ 4.05Å; K358-F360 HydrophobicContact CB-CE2 4.36Å; K358-F360 HydrophobicContact CB-CZ 4.36Å; K358-F360 WeakPolarHBondContact O-CE2 3.33Å; F360-A362 PolarHBondContact O-N 2.86Å; F360-Y389 CarbonylContact O-C 3.55Å; F360-Y389 WeakPolarHBondContact O-CA 3.45Å; F360-C390 PolarHBondContact N-O 3.35Å; F360-C390 PolarHBondContact O-N 2.64Å; F360-V396 HydrophobicContact CB-CG2 3.76Å; F360-V396 HydrophobicContact CD2-CG2 4.36Å; F360-V396 HydrophobicContact CG-CG2 4.49Å
361	P	96.4	Very high	91.7	Very high	13 Å²	13	31.4 Å²	31.4	8%	0.084	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	123.2	165.9	-23.3	34.5	0	0	0	110.6	F310 T311 V312 P388 Y389	F310-P361 WeakPolarHBondContact O-CD 3.36Å; T311-P361 HydrophobicContact CG2-CB 4.04Å; V312-P361 PolarHBondContact N-O 2.93Å; P361-P388 HydrophobicContact CB-CG 4.2Å; P361-Y389 HydrophobicContact CG-CD1 3.82Å; P361-Y389 HydrophobicContact CG-CD2 4.46Å; P361-Y389 HydrophobicContact CG-CE1 3.52Å; P361-Y389 HydrophobicContact CG-CE2 4.2Å; P361-Y389 HydrophobicContact CG-CG 4.3Å
362	A	97.4	Very high	91.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	111.8	-179	0	0	0	0	0	110.3	F360 L381 P388 V396	F360-A362 PolarHBondContact O-N 2.86Å; A362-L381 HydrophobicContact CB-CB 4.16Å; A362-L381 HydrophobicContact CB-CD1 4.05Å; A362-L381 HydrophobicContact CB-CG 4.3Å; A362-L381 PolarHBondContact O-N 2.98Å; A362-P388 PolarHBondContact N-O 3.1Å; A362-V396 HydrophobicContact CB-CG1 4.15Å; A362-V396 HydrophobicContact CB-CG2 4.25Å
363	L	98.1	Very high	91.9	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.5	-175.3	-56.2	177.1	0	0	0	111.2	T311 V312 A313 I314 E378 F379 P388	T311-L363 HydrophobicContact CG2-CD1 4.14Å; V312-L363 PolarHBondContact O-N 2.89Å; A313-L363 CarbonylContact C-O 3.53Å; A313-L363 VanDerWaalsContact CA-O 3.32Å; A313-L363 WeakPolarHBondContact CA-O 3.4Å; I314-L363 PolarHBondContact N-O 3.05Å; L363-E378 HydrophobicContact CD1-CG 4.42Å; L363-F379 CarbonylContact C-O 3.59Å; L363-F379 VanDerWaalsContact CA-O 3.28Å; L363-F379 WeakPolarHBondContact CA-O 3.49Å; L363-P388 HydrophobicContact CD2-CB 4.09Å
364	G	97.5	Very high	92.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	157.4	166	0	0	0	0	0	111.2	I314 E378 F379	I314-G364 CarbonylContact O-C 3.55Å; I314-G364 VanDerWaalsContact O-CA 3.27Å; I314-G364 WeakPolarHBondContact O-CA 3.23Å; G364-E378 CarbonylContact O-C 3.48Å; G364-E378 WeakPolarHBondContact O-CA 3.5Å; G364-F379 VanDerWaalsContact C-CD1 3.47Å; G364-F379 PolarHBondContact N-O 2.75Å; G364-F379 WeakPolarHBondContact O-CD1 3.28Å; G364-F379 WeakPolarHBondContact O-CE1 3.24Å; G364-F379 PolarHBondContact O-N 3.05Å
365	F	97	Very high	92.6	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.8	174.5	62.7	-88.9	0	0	0	112.4	A313 I314 D315 F316 H377 T413 F415 V418 I440	A313-F365 HydrophobicContact CB-CD1 4.21Å; A313-F365 HydrophobicContact CB-CE1 4.14Å; I314-F365 VanDerWaalsContact O-CD1 3.25Å; I314-F365 WeakPolarHBondContact O-CD1 3.21Å; I314-F365 PolarHBondContact O-N 3.24Å; D315-F365 VanDerWaalsContact CA-CZ 3.49Å; D315-F365 HydrophobicContact CB-CE1 4.16Å; D315-F365 HydrophobicContact CB-CE2 3.77Å; D315-F365 HydrophobicContact CB-CZ 3.5Å; D315-F365 VanDerWaalsContact CB-CZ 3.5Å; F316-F365 PolarHBondContact N-O 2.94Å; F365-H377 WeakPolarHBondContact CB-O 3.49Å; F365-T413 HydrophobicContact CE2-CG2 3.96Å; F365-F415 AromaticContact CE2-CD1 3.81Å; F365-F415 HydrophobicContact CE2-CD1 3.81Å; F365-F415 AromaticContact CE2-CE1 3.67Å; F365-F415 HydrophobicContact CE2-CE1 3.67Å; F365-F415 AromaticContact CZ-CD1 3.86Å; F365-F415 HydrophobicContact CZ-CD1 3.86Å; F365-F415 AromaticContact CZ-CE1 3.59Å; F365-F415 HydrophobicContact CZ-CE1 3.59Å; F365-V418 HydrophobicContact CB-CG1 4.31Å; F365-V418 HydrophobicContact CD1-CG1 4.2Å; F365-I440 HydrophobicContact CE1-CG2 4.02Å; F365-I440 HydrophobicContact CZ-CG2 3.95Å
366	G	95.8	Very high	93.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	85.4	23.7	174.6	0	0	0	0	0	115.1	F316 S376 Y410 G411	F316-G366 VanDerWaalsContact O-O 3.13Å; G366-S376 PolarHBondContact N-O 2.82Å; G366-Y410 CarbonylContact O-C 3.48Å; G366-Y410 VanDerWaalsContact O-CA 3.28Å; G366-Y410 WeakPolarHBondContact O-CA 3.3Å; G366-Y410 PolarHBondContact O-N 3.08Å; G366-G411 PolarHBondContact O-N 2.81Å
367	A	96.5	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	159.2	-178.7	0	0	0	0	0	112.7	F316 S376 F379 V407 Q408	F316-A367 HydrophobicContact CB-CB 3.83Å; A367-S376 PolarHBondContact N-O 2.93Å; A367-S376 PolarHBondContact O-N 2.75Å; A367-F379 HydrophobicContact CB-CE1 3.69Å; A367-F379 HydrophobicContact CB-CZ 3.93Å; A367-V407 HydrophobicContact CB-CB 4.06Å; A367-V407 HydrophobicContact CB-CG2 3.98Å; A367-Q408 CarbonylContact C-O 3.47Å; A367-Q408 WeakPolarHBondContact CA-O 3.22Å
368	K	96.6	Very high	94.3	Very high	51 Å²	51	43.4 Å²	43.4	22%	0.222	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.4	162.8	-71.8	179	178.5	175.6	0	109.7	G373 R374 I375 Q408 Y410	K368-G373 WeakPolarHBondContact CG-O 3.32Å; K368-R374 CarbonylContact C-O 3.52Å; K368-R374 VanDerWaalsContact CA-O 3.3Å; K368-R374 WeakPolarHBondContact CA-O 3.21Å; K368-I375 HydrophobicContact CG-CG1 3.96Å; K368-Q408 HydrophobicContact CB-CB 4.14Å; K368-Q408 PolarHBondContact N-O 3.29Å; K368-Q408 PolarHBondContact O-N 3.18Å; K368-Y410 HydrophobicContact CD-CD2 4.18Å; K368-Y410 HydrophobicContact CD-CG 4.14Å; K368-Y410 HydrophobicContact CG-CD1 4.18Å; K368-Y410 HydrophobicContact CG-CD2 4.47Å; K368-Y410 HydrophobicContact CG-CG 3.94Å
369	L	94.2	Very high	94.6	Very high	14 Å²	14	41 Å²	41	7%	0.073	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	143.5	-178.3	-56.2	-179.1	0	0	0	111.5	G373 R374 F379 V407	L369-G373 WeakPolarHBondContact O-CA 3.25Å; L369-G373 PolarHBondContact O-N 3.16Å; L369-R374 HydrophobicContact CB-CG 4.12Å; L369-R374 PolarHBondContact N-O 2.95Å; L369-R374 PolarHBondContact O-N 3.36Å; L369-F379 HydrophobicContact CD1-CB 3.72Å; L369-F379 HydrophobicContact CD1-CG 4.16Å; L369-F379 HydrophobicContact CD2-CB 4.14Å; L369-F379 HydrophobicContact CD2-CD1 3.81Å; L369-F379 HydrophobicContact CD2-CD2 3.79Å; L369-F379 HydrophobicContact CD2-CE1 4.11Å; L369-F379 HydrophobicContact CD2-CE2 4.08Å; L369-F379 HydrophobicContact CD2-CG 3.65Å; L369-F379 HydrophobicContact CD2-CZ 4.24Å; L369-F379 HydrophobicContact CG-CG 4.46Å; L369-V407 HydrophobicContact CD2-CB 4.39Å; L369-V407 HydrophobicContact CD2-CG1 3.66Å
370	P	90.4	Very high	94.7	Very high	73 Å²	73	38.9 Å²	38.9	47%	0.474	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	159.6	168.2	30.8	-34.8	0	0	0	111.4
371	P	89.9	Confident	94.9	Very high	137 Å²	137	38.9 Å²	38.9	89%	0.89	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.3	-14.5	-4.1	35	-34.8	0	0	0	114
372	D	89.9	Confident	94.8	Very high	112 Å²	112	40.4 Å²	40.4	60%	0.599	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.3	-169.5	61	-7.8	0	0	0	113.9	R374	D372-R374 VanDerWaalsContact C-N 3.26Å; D372-R374 PolarHBondContact O-N 2.82Å; D372-R374 WeakPolarHBondContact OD1-CB 3.27Å; D372-R374 VanDerWaalsContact OD1-CG 3.32Å; D372-R374 WeakPolarHBondContact OD1-CG 3.37Å; D372-R374 PolarHBondContact OD1-N 3.25Å
373	G	90.3	Very high	94.6	Very high	31 Å²	31	43.4 Å²	43.4	32%	0.32	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	22.9	-178.2	0	0	0	0	0	112.7	K368 L369 I375	K368-G373 WeakPolarHBondContact CG-O 3.32Å; L369-G373 WeakPolarHBondContact O-CA 3.25Å; L369-G373 PolarHBondContact O-N 3.16Å; G373-I375 PolarHBondContact O-N 2.96Å
374	R	93.5	Very high	94.3	Very high	143 Å²	143	46.4 Å²	46.4	54%	0.54	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	132.6	177.9	69.7	-173.5	-176.5	165.3	2.4	110.5	K368 L369 D372 S376	K368-R374 CarbonylContact C-O 3.52Å; K368-R374 VanDerWaalsContact CA-O 3.3Å; K368-R374 WeakPolarHBondContact CA-O 3.21Å; L369-R374 HydrophobicContact CB-CG 4.12Å; L369-R374 PolarHBondContact N-O 2.95Å; L369-R374 PolarHBondContact O-N 3.36Å; D372-R374 VanDerWaalsContact C-N 3.26Å; D372-R374 PolarHBondContact O-N 2.82Å; D372-R374 WeakPolarHBondContact OD1-CB 3.27Å; D372-R374 VanDerWaalsContact OD1-CG 3.32Å; D372-R374 WeakPolarHBondContact OD1-CG 3.37Å; D372-R374 PolarHBondContact OD1-N 3.25Å; R374-S376 PolarHBondContact O-N 3.12Å
375	I	94.2	Very high	94	Very high	82 Å²	82	50.5 Å²	50.5	42%	0.421	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	127.6	174.8	-57.9	161.8	0	0	0	107.7	K368 G373 Y410	K368-I375 HydrophobicContact CG-CG1 3.96Å; G373-I375 PolarHBondContact O-N 2.96Å; I375-Y410 HydrophobicContact CB-CD1 4.49Å; I375-Y410 HydrophobicContact CD1-CD1 3.87Å; I375-Y410 HydrophobicContact CD1-CE1 3.38Å; I375-Y410 HydrophobicContact CG1-CD1 3.67Å; I375-Y410 HydrophobicContact CG1-CE1 3.73Å; I375-Y410 HydrophobicContact CG2-CD1 4.05Å; I375-Y410 HydrophobicContact CG2-CE1 4.5Å
376	S	94.8	Very high	93.8	Very high	20 Å²	20	58.4 Å²	58.4	14%	0.14	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	132.7	175.3	-168.6	0	0	0	0	111.4	G366 A367 R374 E378	G366-S376 PolarHBondContact N-O 2.82Å; A367-S376 PolarHBondContact N-O 2.93Å; A367-S376 PolarHBondContact O-N 2.75Å; R374-S376 PolarHBondContact O-N 3.12Å; S376-E378 VanDerWaalsContact OG-C 3.29Å; S376-E378 PolarHBondContact OG-N 2.82Å; S376-E378 PolarHBondContact OG-O 2.84Å
377	H	93.9	Very high	93.6	Very high	45 Å²	45	61.9 Å²	61.9	21%	0.208	35%	0.349	C	S	.	.	S	Bend	trans	-102.8	10.7	170.7	-59.4	-71.1	0	0	0	112.2	F365 P412 N414 P417	F365-H377 WeakPolarHBondContact CB-O 3.49Å; H377-P412 PolarHBondContact CE1-O 2.81Å; H377-P412 PolarHBondContact ND1-O 3.38Å; H377-N414 HydrophobicContact CB-CB 4.4Å; H377-N414 PolarHBondContact CE1-ND2 2.87Å; H377-P417 HydrophobicContact CB-CB 4.23Å; H377-P417 HydrophobicContact CB-CG 3.81Å
378	E	95.1	Very high	93.6	Very high	61 Å²	61	62.4 Å²	62.4	29%	0.285	35%	0.353	S	S	.	.	S	Bend	trans	-164.4	116.2	174.3	-173.7	-157.4	121.1	0	0	108.8	L363 G364 S376 P417 V418 H421 R424	L363-E378 HydrophobicContact CD1-CG 4.42Å; G364-E378 CarbonylContact O-C 3.48Å; G364-E378 WeakPolarHBondContact O-CA 3.5Å; S376-E378 VanDerWaalsContact OG-C 3.29Å; S376-E378 PolarHBondContact OG-N 2.82Å; S376-E378 PolarHBondContact OG-O 2.84Å; E378-P417 HydrophobicContact CB-CB 4.48Å; E378-V418 HydrophobicContact CG-CG1 4.43Å; E378-H421 IonicContact OE1-CE1 2.75Å; E378-H421 PolarHBondContact OE1-CE1 3.45Å; E378-H421 IonicContact OE1-CG 2.88Å; E378-H421 IonicContact OE1-ND1 3.75Å; E378-H421 PolarHBondContact OE1-ND1 2.81Å; E378-H421 IonicContact OE2-CG 3.3Å; E378-H421 IonicContact OE2-ND1 3.3Å; E378-H421 PolarHBondContact OE2-ND1 3.01Å; E378-R424 IonicContact OE2-NH2 3.05Å; E378-R424 PolarHBondContact OE2-NH2 3.37Å
379	F	96.4	Very high	93.5	Very high	16 Å²	16	63.9 Å²	63.9	7%	0.07	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	147.3	175.2	63.4	-89.4	0	0	0	112.6	F316 L363 G364 A367 L369 L381 S403 V407	F316-F379 HydrophobicContact CB-CZ 4.34Å; F316-F379 HydrophobicContact CD1-CZ 4.36Å; F316-F379 HydrophobicContact CD2-CZ 4.1Å; F316-F379 HydrophobicContact CE2-CZ 4.47Å; F316-F379 HydrophobicContact CG-CZ 4.04Å; L363-F379 CarbonylContact C-O 3.59Å; L363-F379 VanDerWaalsContact CA-O 3.28Å; L363-F379 WeakPolarHBondContact CA-O 3.49Å; G364-F379 VanDerWaalsContact C-CD1 3.47Å; G364-F379 PolarHBondContact N-O 2.75Å; G364-F379 WeakPolarHBondContact O-CD1 3.28Å; G364-F379 WeakPolarHBondContact O-CE1 3.24Å; G364-F379 PolarHBondContact O-N 3.05Å; A367-F379 HydrophobicContact CB-CE1 3.69Å; A367-F379 HydrophobicContact CB-CZ 3.93Å; L369-F379 HydrophobicContact CD1-CB 3.72Å; L369-F379 HydrophobicContact CD1-CG 4.16Å; L369-F379 HydrophobicContact CD2-CB 4.14Å; L369-F379 HydrophobicContact CD2-CD1 3.81Å; L369-F379 HydrophobicContact CD2-CD2 3.79Å; L369-F379 HydrophobicContact CD2-CE1 4.11Å; L369-F379 HydrophobicContact CD2-CE2 4.08Å; L369-F379 HydrophobicContact CD2-CG 3.65Å; L369-F379 HydrophobicContact CD2-CZ 4.24Å; L369-F379 HydrophobicContact CG-CG 4.46Å; F379-L381 HydrophobicContact CD2-CD2 4.29Å; F379-L381 HydrophobicContact CE2-CD2 3.67Å; F379-L381 HydrophobicContact CZ-CD2 4.28Å; F379-L381 PolarHBondContact O-N 3.06Å; F379-S403 WeakPolarHBondContact CE2-OG 3.46Å; F379-V407 HydrophobicContact CE2-CG1 4.04Å; F379-V407 HydrophobicContact CZ-CG1 4.29Å
380	A	97	Very high	93.6	Very high	13 Å²	13	63.7 Å²	63.7	11%	0.107	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	122.9	177.5	0	0	0	0	0	111.1	N382 G383 N384 P388	A380-N382 VanDerWaalsContact C-N 3.27Å; A380-N382 PolarHBondContact O-N 3.33Å; A380-G383 PolarHBondContact O-N 3.37Å; A380-G383 VanDerWaalsContact O-N 3.09Å; A380-N384 WeakPolarHBondContact CB-O 3.2Å; A380-P388 HydrophobicContact CB-CB 3.82Å
381	L	97.1	Very high	93.8	Very high	4 Å²	4	66 Å²	66	2%	0.021	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-32	-179	-64.2	-174.7	0	0	0	112.4	I314 F316 A362 F379 G383 A399	I314-L381 HydrophobicContact CD1-CD1 3.54Å; I314-L381 HydrophobicContact CG1-CD1 4.11Å; F316-L381 HydrophobicContact CE2-CD2 3.61Å; F316-L381 HydrophobicContact CZ-CD2 3.83Å; A362-L381 HydrophobicContact CB-CB 4.16Å; A362-L381 HydrophobicContact CB-CD1 4.05Å; A362-L381 HydrophobicContact CB-CG 4.3Å; A362-L381 PolarHBondContact O-N 2.98Å; F379-L381 HydrophobicContact CD2-CD2 4.29Å; F379-L381 HydrophobicContact CE2-CD2 3.67Å; F379-L381 HydrophobicContact CZ-CD2 4.28Å; F379-L381 PolarHBondContact O-N 3.06Å; L381-G383 PolarHBondContact O-N 2.92Å; L381-A399 HydrophobicContact CB-CB 3.93Å
382	N	94.9	Very high	94	Very high	44 Å²	44	59.9 Å²	59.9	24%	0.235	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-3.8	177.1	71.3	2.4	0	0	0	113.4	A380 N384 N387 Y389 A399	A380-N382 VanDerWaalsContact C-N 3.27Å; A380-N382 PolarHBondContact O-N 3.33Å; N382-N384 VanDerWaalsContact C-N 3.33Å; N382-N384 PolarHBondContact OD1-N 3.1Å; N382-N387 PolarHBondContact ND2-O 3.06Å; N382-Y389 PolarHBondContact ND2-O 3.46Å; N382-Y389 VanDerWaalsContact ND2-O 3.09Å; N382-A399 HydrophobicContact CB-CB 4.27Å
383	G	92.9	Very high	94.3	Very high	63 Å²	63	54.9 Å²	54.9	65%	0.649	30%	0.301	S	S	*	.	S	Bend	trans	81	5.3	179.8	0	0	0	0	0	114.9	A380 L381 P385	A380-G383 PolarHBondContact O-N 3.37Å; A380-G383 VanDerWaalsContact O-N 3.09Å; L381-G383 PolarHBondContact O-N 2.92Å; G383-P385 WeakPolarHBondContact O-CD 3.37Å
384	N	93.4	Very high	94.5	Very high	65 Å²	65	59 Å²	59	35%	0.348	31%	0.312	S	S	.	.			trans	-114.3	95.2	178.1	-174.1	-10.8	0	0	0	111.2	A380 N382 Q386 N387	A380-N384 WeakPolarHBondContact CB-O 3.2Å; N382-N384 VanDerWaalsContact C-N 3.33Å; N382-N384 PolarHBondContact OD1-N 3.1Å; N384-Q386 PolarHBondContact O-N 3.48Å; N384-Q386 VanDerWaalsContact O-N 3.17Å; N384-Q386 PolarHBondContact OD1-N 3.12Å; N384-Q386 VanDerWaalsContact OD1-N 3.1Å; N384-Q386 PolarHBondContact OD1-OE1 3.43Å; N384-N387 CarbonylContact O-C 3.14Å; N384-N387 PolarHBondContact O-N 3.48Å; N384-N387 VanDerWaalsContact O-N 3.07Å; N384-N387 PolarHBondContact OD1-N 2.95Å
385	P	89.6	Confident	94.6	Very high	87 Å²	87	53 Å²	53	57%	0.565	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-23	-179.9	-23.5	34.4	0	0	0	114.5	G383	G383-P385 WeakPolarHBondContact O-CD 3.37Å
386	Q	92.4	Very high	94.7	Very high	165 Å²	165	49.1 Å²	49.1	77%	0.771	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.5	178.2	-68.4	73.5	27.9	0	0	112.4	N384	N384-Q386 PolarHBondContact O-N 3.48Å; N384-Q386 VanDerWaalsContact O-N 3.17Å; N384-Q386 PolarHBondContact OD1-N 3.12Å; N384-Q386 VanDerWaalsContact OD1-N 3.1Å; N384-Q386 PolarHBondContact OD1-OE1 3.43Å
387	N	93.1	Very high	94.8	Very high	73 Å²	73	48.6 Å²	48.6	39%	0.39	27%	0.27	S	S	.	.			trans	-147.7	85.1	-179.4	-177.6	14.5	0	0	0	109.8	N382 N384 Y389	N382-N387 PolarHBondContact ND2-O 3.06Å; N384-N387 CarbonylContact O-C 3.14Å; N384-N387 PolarHBondContact O-N 3.48Å; N384-N387 VanDerWaalsContact O-N 3.07Å; N384-N387 PolarHBondContact OD1-N 2.95Å; N387-Y389 PolarHBondContact O-N 3.42Å; N387-Y389 WeakPolarHBondContact OD1-CB 3.12Å; N387-Y389 WeakPolarHBondContact OD1-CD2 3.32Å; N387-Y389 PolarHBondContact OD1-N 2.86Å
388	P	95.1	Very high	94.9	Very high	12 Å²	12	51.8 Å²	51.8	8%	0.078	29%	0.285	C	S	.	.			trans	-76.4	4.1	-177.9	32.5	-37.2	0	0	0	114	P361 A362 L363 A380	P361-P388 HydrophobicContact CB-CG 4.2Å; A362-P388 PolarHBondContact N-O 3.1Å; L363-P388 HydrophobicContact CD2-CB 4.09Å; A380-P388 HydrophobicContact CB-CB 3.82Å
389	Y	95.9	Very high	95	Very high	82 Å²	82	49.2 Å²	49.2	32%	0.322	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.4	-172.7	-67.8	-103.4	0	0	0	112.1	M359 F360 P361 N382 N387	M359-Y389 HydrophobicContact CB-CD1 3.72Å; M359-Y389 HydrophobicContact CB-CG 4.44Å; M359-Y389 VanDerWaalsContact O-CD1 3.26Å; M359-Y389 WeakPolarHBondContact O-CD1 3.25Å; F360-Y389 CarbonylContact O-C 3.55Å; F360-Y389 WeakPolarHBondContact O-CA 3.45Å; P361-Y389 HydrophobicContact CG-CD1 3.82Å; P361-Y389 HydrophobicContact CG-CD2 4.46Å; P361-Y389 HydrophobicContact CG-CE1 3.52Å; P361-Y389 HydrophobicContact CG-CE2 4.2Å; P361-Y389 HydrophobicContact CG-CG 4.3Å; N382-Y389 PolarHBondContact ND2-O 3.46Å; N382-Y389 VanDerWaalsContact ND2-O 3.09Å; N387-Y389 PolarHBondContact O-N 3.42Å; N387-Y389 WeakPolarHBondContact OD1-CB 3.12Å; N387-Y389 WeakPolarHBondContact OD1-CD2 3.32Å; N387-Y389 PolarHBondContact OD1-N 2.86Å
390	C	96.3	Very high	95.1	Very high	10 Å²	10	48.4 Å²	48.4	7%	0.068	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.1	177.3	-60.7	0	0	0	0	109.9	M359 F360 G392 V396	M359-C390 WeakPolarHBondContact CA-O 3.49Å; F360-C390 PolarHBondContact N-O 3.35Å; F360-C390 PolarHBondContact O-N 2.64Å; C390-G392 PolarHBondContact O-N 2.91Å; C390-V396 HydrophobicContact CB-CG2 3.81Å
391	D	94.9	Very high	95	Very high	120 Å²	120	50.2 Å²	50.2	64%	0.642	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	106.6	179.1	-179.6	22.4	0	0	0	110.8	M359 G395	M359-D391 HydrophobicContact SD-CB 4.27Å; D391-G395 VanDerWaalsContact O-CA 3.29Å; D391-G395 WeakPolarHBondContact O-CA 3.29Å; D391-G395 PolarHBondContact O-N 3.32Å
392	G	94.1	Very high	94.9	Very high	10 Å²	10	56.8 Å²	56.8	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	68	175.5	-180	0	0	0	0	0	114.3	K358 C390 E394 G395 V396	K358-G392 PolarHBondContact O-N 3.1Å; C390-G392 PolarHBondContact O-N 2.91Å; G392-E394 PolarHBondContact O-N 3.38Å; G392-G395 PolarHBondContact O-N 2.96Å; G392-V396 PolarHBondContact O-N 3.47Å
393	I	94.4	Very high	95	Very high	6 Å²	6	55 Å²	55	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-64.1	-30.8	174.2	-170.5	55.4	0	0	0	112.1	L344 E349 V396 M397	L344-I393 HydrophobicContact CB-CD1 4.36Å; L344-I393 WeakPolarHBondContact O-CD1 3.14Å; E349-I393 HydrophobicContact CG-CG2 4.29Å; I393-V396 HydrophobicContact CD1-CB 4.2Å; I393-V396 HydrophobicContact CD1-CG1 4.42Å; I393-V396 PolarHBondContact O-N 3.43Å; I393-M397 VanDerWaalsContact O-CG 3.24Å; I393-M397 WeakPolarHBondContact O-CG 3.03Å; I393-M397 PolarHBondContact O-N 2.9Å
394	E	94.4	Very high	95.1	Very high	118 Å²	118	52.4 Å²	52.4	55%	0.551	26%	0.262	S	S	*	.	H	α-helix	trans	-64.9	-39.1	175.7	-66.3	-62.6	149	0	0	111.6	K345 G392 M397 E398	K345-E394 IonicContact NZ-OE1 2.73Å; G392-E394 PolarHBondContact O-N 3.38Å; E394-M397 PolarHBondContact O-N 3.34Å; E394-E398 PolarHBondContact O-N 3.11Å
395	G	96.6	Very high	95.1	Very high	17 Å²	17	56.9 Å²	56.9	18%	0.175	28%	0.278	C	S	.	.	H	α-helix	trans	-64.8	-39.8	173.5	0	0	0	0	0	112.8	D391 G392 M397 E398 A399	D391-G395 VanDerWaalsContact O-CA 3.29Å; D391-G395 WeakPolarHBondContact O-CA 3.29Å; D391-G395 PolarHBondContact O-N 3.32Å; G392-G395 PolarHBondContact O-N 2.96Å; G395-M397 VanDerWaalsContact C-N 3.34Å; G395-E398 PolarHBondContact O-N 3.2Å; G395-A399 WeakPolarHBondContact O-CB 3.41Å; G395-A399 PolarHBondContact O-N 2.82Å
396	V	97.1	Very high	95.2	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.1	-44.8	173.6	174.9	0	0	0	0	110.6	V312 F360 A362 C390 G392 I393 A399 Y400	V312-V396 HydrophobicContact CB-CG1 4.37Å; V312-V396 HydrophobicContact CG1-CG1 4.31Å; V312-V396 HydrophobicContact CG2-CG1 4.29Å; F360-V396 HydrophobicContact CB-CG2 3.76Å; F360-V396 HydrophobicContact CD2-CG2 4.36Å; F360-V396 HydrophobicContact CG-CG2 4.49Å; A362-V396 HydrophobicContact CB-CG1 4.15Å; A362-V396 HydrophobicContact CB-CG2 4.25Å; C390-V396 HydrophobicContact CB-CG2 3.81Å; G392-V396 PolarHBondContact O-N 3.47Å; I393-V396 HydrophobicContact CD1-CB 4.2Å; I393-V396 HydrophobicContact CD1-CG1 4.42Å; I393-V396 PolarHBondContact O-N 3.43Å; V396-A399 PolarHBondContact O-N 3.04Å; V396-Y400 WeakPolarHBondContact O-CB 3.36Å; V396-Y400 PolarHBondContact O-N 3.15Å
397	M	96.3	Very high	95.3	Very high	10 Å²	10	49 Å²	49	5%	0.049	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-43.5	177.8	-72.2	-67.8	-77.3	0	0	111.8	L337 L344 I393 E394 G395 Y400 Y401	L337-M397 HydrophobicContact CD1-CE 4.28Å; L337-M397 HydrophobicContact CD2-CE 3.62Å; L344-M397 HydrophobicContact CB-SD 3.76Å; L344-M397 HydrophobicContact CD1-SD 3.77Å; L344-M397 HydrophobicContact CG-SD 4.44Å; I393-M397 VanDerWaalsContact O-CG 3.24Å; I393-M397 WeakPolarHBondContact O-CG 3.03Å; I393-M397 PolarHBondContact O-N 2.9Å; E394-M397 PolarHBondContact O-N 3.34Å; G395-M397 VanDerWaalsContact C-N 3.34Å; M397-Y400 PolarHBondContact O-N 3.2Å; M397-Y401 HydrophobicContact CE-CE2 3.78Å; M397-Y401 WeakPolarHBondContact O-CD2 3.31Å; M397-Y401 PolarHBondContact O-N 2.83Å; M397-Y401 VanDerWaalsContact O-N 3.09Å
398	E	95.9	Very high	95.4	Very high	112 Å²	112	51.2 Å²	51.2	52%	0.523	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-46.8	175.2	-168.1	-171.1	163.9	0	0	111.5	E394 G395 Y400 Y401 R402	E394-E398 PolarHBondContact O-N 3.11Å; G395-E398 PolarHBondContact O-N 3.2Å; E398-Y400 PolarHBondContact O-N 3.28Å; E398-Y401 PolarHBondContact O-N 3.34Å; E398-R402 VanDerWaalsContact O-CB 3.26Å; E398-R402 WeakPolarHBondContact O-CB 3.26Å; E398-R402 PolarHBondContact O-N 2.82Å; E398-R402 IonicContact OE1-CZ 3.74Å; E398-R402 IonicContact OE1-NH2 2.67Å; E398-R402 PolarHBondContact OE1-NH2 2.86Å
399	A	97.4	Very high	95.5	Very high	6 Å²	6	51.7 Å²	51.7	5%	0.05	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-43.4	178.3	0	0	0	0	0	111.9	L381 N382 G395 V396 R402 S403	L381-A399 HydrophobicContact CB-CB 3.93Å; N382-A399 HydrophobicContact CB-CB 4.27Å; G395-A399 WeakPolarHBondContact O-CB 3.41Å; G395-A399 PolarHBondContact O-N 2.82Å; V396-A399 PolarHBondContact O-N 3.04Å; A399-R402 PolarHBondContact O-N 3.04Å; A399-S403 VanDerWaalsContact O-CB 3.26Å; A399-S403 WeakPolarHBondContact O-CB 3.44Å; A399-S403 PolarHBondContact O-N 2.58Å
400	Y	97.7	Very high	95.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-56.7	-54.8	175.1	163.1	-118.2	0	0	0	112.2	I314 F316 H330 N338 Y340 L344 V396 M397 E398 R402 S403 L404	I314-Y400 HydrophobicContact CD1-CD2 3.49Å; I314-Y400 VanDerWaalsContact CD1-CD2 3.49Å; I314-Y400 HydrophobicContact CD1-CE2 4.24Å; I314-Y400 HydrophobicContact CD1-CG 3.8Å; I314-Y400 HydrophobicContact CG2-CD2 4.02Å; I314-Y400 HydrophobicContact CG2-CE2 3.88Å; F316-Y400 HydrophobicContact CE2-CD2 4.07Å; F316-Y400 HydrophobicContact CE2-CE2 4.37Å; F316-Y400 AromaticContact CZ-CD2 3.76Å; F316-Y400 HydrophobicContact CZ-CD2 3.76Å; F316-Y400 HydrophobicContact CZ-CE2 4.12Å; H330-Y400 AromaticContact CE1-CE2 3.98Å; H330-Y400 AromaticContact ND1-CE2 3.7Å; H330-Y400 AromaticContact ND1-CZ 3.69Å; H330-Y400 PolarHBondContact ND1-OH 2.75Å; N338-Y400 PolarHBondContact ND2-OH 3.18Å; N338-Y400 PolarHBondContact OD1-OH 3.19Å; Y340-Y400 VanDerWaalsContact CB-OH 3.31Å; Y340-Y400 WeakPolarHBondContact CB-OH 3.35Å; L344-Y400 HydrophobicContact CD1-CD1 4.27Å; L344-Y400 HydrophobicContact CD1-CG 4.37Å; V396-Y400 WeakPolarHBondContact O-CB 3.36Å; V396-Y400 PolarHBondContact O-N 3.15Å; M397-Y400 PolarHBondContact O-N 3.2Å; E398-Y400 PolarHBondContact O-N 3.28Å; Y400-R402 VanDerWaalsContact C-N 3.3Å; Y400-R402 PolarHBondContact O-N 3.09Å; Y400-S403 PolarHBondContact O-N 2.82Å; Y400-L404 HydrophobicContact CD2-CD1 4.18Å; Y400-L404 HydrophobicContact CD2-CG 4.3Å; Y400-L404 HydrophobicContact CE1-CD1 4.07Å; Y400-L404 HydrophobicContact CE2-CD1 3.52Å; Y400-L404 HydrophobicContact CE2-CD2 4.36Å; Y400-L404 HydrophobicContact CE2-CG 3.9Å; Y400-L404 VanDerWaalsContact CZ-CD1 3.48Å; Y400-L404 PolarHBondContact O-N 3.34Å
401	Y	95.6	Very high	95.2	Very high	51 Å²	51	52.7 Å²	52.7	20%	0.2	26%	0.259	C	S	.	.	H	α-helix	trans	-67.7	-30.3	-179.4	-72.3	-59.5	0	0	0	113.2	M332 L337 M397 E398 L404	M332-Y401 HydrophobicContact CG-CD1 3.88Å; M332-Y401 HydrophobicContact CG-CE1 4.21Å; M332-Y401 HydrophobicContact SD-CD1 4.2Å; L337-Y401 HydrophobicContact CD2-CE2 4.48Å; L337-Y401 VanDerWaalsContact CD2-OH 3.32Å; L337-Y401 WeakPolarHBondContact CD2-OH 3.48Å; M397-Y401 HydrophobicContact CE-CE2 3.78Å; M397-Y401 WeakPolarHBondContact O-CD2 3.31Å; M397-Y401 PolarHBondContact O-N 2.83Å; M397-Y401 VanDerWaalsContact O-N 3.09Å; E398-Y401 PolarHBondContact O-N 3.34Å; Y401-L404 HydrophobicContact CD1-CD1 4.29Å
402	R	95.4	Very high	95.1	Very high	141 Å²	141	50 Å²	50	53%	0.532	25%	0.248	S	C	.	.	H	α-helix	trans	-67.7	-44.4	173.1	-172	-174.2	-64.4	-176.6	-0.8	110.8	E398 A399 Y400 K405	E398-R402 VanDerWaalsContact O-CB 3.26Å; E398-R402 WeakPolarHBondContact O-CB 3.26Å; E398-R402 PolarHBondContact O-N 2.82Å; E398-R402 IonicContact OE1-CZ 3.74Å; E398-R402 IonicContact OE1-NH2 2.67Å; E398-R402 PolarHBondContact OE1-NH2 2.86Å; A399-R402 PolarHBondContact O-N 3.04Å; Y400-R402 VanDerWaalsContact C-N 3.3Å; Y400-R402 PolarHBondContact O-N 3.09Å; R402-K405 PolarHBondContact O-N 2.93Å
403	S	95.8	Very high	95.1	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-40.3	-179.4	-164.4	0	0	0	0	112.3	F379 A399 Y400 K405 S406 V407	F379-S403 WeakPolarHBondContact CE2-OG 3.46Å; A399-S403 VanDerWaalsContact O-CB 3.26Å; A399-S403 WeakPolarHBondContact O-CB 3.44Å; A399-S403 PolarHBondContact O-N 2.58Å; Y400-S403 PolarHBondContact O-N 2.82Å; S403-K405 PolarHBondContact O-N 3.29Å; S403-S406 PolarHBondContact O-N 3.05Å; S403-S406 PolarHBondContact O-OG 3.37Å; S403-S406 VanDerWaalsContact O-OG 3.07Å; S403-V407 WeakPolarHBondContact O-CG2 3.18Å; S403-V407 PolarHBondContact O-N 3.31Å
404	L	95.1	Very high	95.1	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.052	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.9	175.5	-80.9	174.6	0	0	0	114.3	F316 P323 H330 M332 Y400 Y401 L409	F316-L404 HydrophobicContact CD1-CD2 3.73Å; F316-L404 HydrophobicContact CD1-CG 4.45Å; F316-L404 HydrophobicContact CE1-CB 4.3Å; F316-L404 HydrophobicContact CE1-CD2 3.38Å; F316-L404 HydrophobicContact CE1-CG 3.61Å; F316-L404 HydrophobicContact CZ-CD2 4.12Å; F316-L404 HydrophobicContact CZ-CG 4.05Å; P323-L404 HydrophobicContact CB-CD2 4.48Å; P323-L404 HydrophobicContact CG-CD2 3.94Å; H330-L404 HydrophobicContact CB-CD1 4.03Å; H330-L404 HydrophobicContact CB-CD2 3.83Å; M332-L404 HydrophobicContact CG-CD1 4.41Å; M332-L404 HydrophobicContact SD-CB 4.38Å; Y400-L404 HydrophobicContact CD2-CD1 4.18Å; Y400-L404 HydrophobicContact CD2-CG 4.3Å; Y400-L404 HydrophobicContact CE1-CD1 4.07Å; Y400-L404 HydrophobicContact CE2-CD1 3.52Å; Y400-L404 HydrophobicContact CE2-CD2 4.36Å; Y400-L404 HydrophobicContact CE2-CG 3.9Å; Y400-L404 VanDerWaalsContact CZ-CD1 3.48Å; Y400-L404 PolarHBondContact O-N 3.34Å; Y401-L404 HydrophobicContact CD1-CD1 4.29Å; L404-L409 HydrophobicContact CD2-CD2 4.26Å
405	K	93.6	Very high	95.2	Very high	159 Å²	159	45.2 Å²	45.2	69%	0.691	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-16.8	178.8	-63.7	173.1	-173.8	176.1	0	113.3	M332 R402 S403	M332-K405 HydrophobicContact CE-CG 4.08Å; M332-K405 HydrophobicContact SD-CG 4.26Å; R402-K405 PolarHBondContact O-N 2.93Å; S403-K405 PolarHBondContact O-N 3.29Å
406	S	91.9	Very high	95.3	Very high	69 Å²	69	44.7 Å²	44.7	48%	0.483	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-31.5	-171.8	63.7	0	0	0	0	113.6	S403	S403-S406 PolarHBondContact O-N 3.05Å; S403-S406 PolarHBondContact O-OG 3.37Å; S403-S406 VanDerWaalsContact O-OG 3.07Å
407	V	94.8	Very high	95.3	Very high	18 Å²	18	46.5 Å²	46.5	11%	0.109	23%	0.23	C	C	.	.	S	Bend	trans	-90.3	155.9	-179.4	-51	0	0	0	0	111.7	F316 A367 L369 F379 S403	F316-V407 HydrophobicContact CD1-CG2 3.4Å; F316-V407 HydrophobicContact CE1-CG2 3.76Å; F316-V407 HydrophobicContact CG-CG2 4.38Å; A367-V407 HydrophobicContact CB-CB 4.06Å; A367-V407 HydrophobicContact CB-CG2 3.98Å; L369-V407 HydrophobicContact CD2-CB 4.39Å; L369-V407 HydrophobicContact CD2-CG1 3.66Å; F379-V407 HydrophobicContact CE2-CG1 4.04Å; F379-V407 HydrophobicContact CZ-CG1 4.29Å; S403-V407 WeakPolarHBondContact O-CG2 3.18Å; S403-V407 PolarHBondContact O-N 3.31Å
408	Q	96	Very high	95.3	Very high	118 Å²	118	46 Å²	46	55%	0.551	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102	120.6	171	173.9	-178.3	24.2	0	0	109.4	A367 K368 Y410	A367-Q408 CarbonylContact C-O 3.47Å; A367-Q408 WeakPolarHBondContact CA-O 3.22Å; K368-Q408 HydrophobicContact CB-CB 4.14Å; K368-Q408 PolarHBondContact N-O 3.29Å; K368-Q408 PolarHBondContact O-N 3.18Å; Q408-Y410 PolarHBondContact O-N 3.45Å
409	L	95.9	Very high	95.4	Very high	22 Å²	22	40.8 Å²	40.8	12%	0.115	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	135.7	177.7	-52.2	-174.8	0	0	0	111.3	F316 A318 N320 G321 P323 L404	F316-L409 HydrophobicContact CB-CD2 3.78Å; F316-L409 HydrophobicContact CD1-CD2 3.67Å; F316-L409 HydrophobicContact CG-CD2 4.12Å; F316-L409 WeakPolarHBondContact O-CA 3.35Å; F316-L409 VanDerWaalsContact O-CB 3.32Å; F316-L409 WeakPolarHBondContact O-CB 3.2Å; F316-L409 VanDerWaalsContact O-CD2 3.23Å; F316-L409 WeakPolarHBondContact O-CD2 3.32Å; A318-L409 HydrophobicContact CB-CB 4.49Å; N320-L409 HydrophobicContact CB-CD1 4.37Å; G321-L409 WeakPolarHBondContact O-CD1 3.15Å; P323-L409 HydrophobicContact CG-CD1 3.9Å; P323-L409 HydrophobicContact CG-CG 4.38Å; L404-L409 HydrophobicContact CD2-CD2 4.26Å
410	Y	94.9	Very high	95.5	Very high	100 Å²	100	43.6 Å²	43.6	39%	0.392	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-149.5	-139	-173.3	-163.4	-111.8	0	0	0	112.9	F316 T317 A318 G366 K368 I375 Q408	F316-Y410 PolarHBondContact O-N 2.92Å; T317-Y410 CarbonylContact C-O 3.51Å; T317-Y410 WeakPolarHBondContact CA-O 3.42Å; T317-Y410 VanDerWaalsContact CB-O 3.26Å; T317-Y410 WeakPolarHBondContact CB-O 3.22Å; A318-Y410 PolarHBondContact N-O 2.89Å; G366-Y410 CarbonylContact O-C 3.48Å; G366-Y410 VanDerWaalsContact O-CA 3.28Å; G366-Y410 WeakPolarHBondContact O-CA 3.3Å; G366-Y410 PolarHBondContact O-N 3.08Å; K368-Y410 HydrophobicContact CD-CD2 4.18Å; K368-Y410 HydrophobicContact CD-CG 4.14Å; K368-Y410 HydrophobicContact CG-CD1 4.18Å; K368-Y410 HydrophobicContact CG-CD2 4.47Å; K368-Y410 HydrophobicContact CG-CG 3.94Å; I375-Y410 HydrophobicContact CB-CD1 4.49Å; I375-Y410 HydrophobicContact CD1-CD1 3.87Å; I375-Y410 HydrophobicContact CD1-CE1 3.38Å; I375-Y410 HydrophobicContact CG1-CD1 3.67Å; I375-Y410 HydrophobicContact CG1-CE1 3.73Å; I375-Y410 HydrophobicContact CG2-CD1 4.05Å; I375-Y410 HydrophobicContact CG2-CE1 4.5Å; Q408-Y410 PolarHBondContact O-N 3.45Å
411	G	91.7	Very high	95.4	Very high	14 Å²	14	44.3 Å²	44.3	14%	0.144	22%	0.221	C	C	.	.			trans	-178.2	-176.2	177.8	0	0	0	0	0	111.5	G366	G366-G411 PolarHBondContact O-N 2.81Å
412	P	93.8	Very high	95.5	Very high	62 Å²	62	42 Å²	42	40%	0.403	21%	0.212	S	C	.	.			cis	-71.6	172.9	-3.9	29.4	-37.5	0	0	0	114.7	H377 N414 S447	H377-P412 PolarHBondContact CE1-O 2.81Å; H377-P412 PolarHBondContact ND1-O 3.38Å; P412-N414 PolarHBondContact O-N 3.1Å; P412-S447 WeakPolarHBondContact CB-OG 3.33Å
413	T	93	Very high	95.6	Very high	9 Å²	9	35.9 Å²	35.9	6%	0.055	19%	0.191	C	C	.	.			trans	-83.5	101.2	174	-45	0	0	0	0	109.7	D315 T317 F365 F415 V445 S447	D315-T413 WeakPolarHBondContact OD2-CG2 3.3Å; T317-T413 HydrophobicContact CG2-CG2 4.38Å; T317-T413 WeakPolarHBondContact CG2-OG1 3.35Å; F365-T413 HydrophobicContact CE2-CG2 3.96Å; T413-F415 HydrophobicContact CG2-CD1 4.48Å; T413-F415 HydrophobicContact CG2-CE1 3.8Å; T413-V445 WeakPolarHBondContact CB-O 3.33Å; T413-V445 WeakPolarHBondContact CG2-O 3.03Å; T413-V445 PolarHBondContact OG1-O 2.88Å; T413-S447 PolarHBondContact N-OG 2.64Å; T413-S447 WeakPolarHBondContact O-CB 3.25Å; T413-S447 PolarHBondContact O-N 3.23Å
414	N	95.1	Very high	95.6	Very high	26 Å²	26	42 Å²	42	14%	0.139	21%	0.214	C	C	.	.			trans	-120.5	120.1	-174.4	-70.5	-10.5	0	0	0	111.1	H377 P412 P417 D448	H377-N414 HydrophobicContact CB-CB 4.4Å; H377-N414 PolarHBondContact CE1-ND2 2.87Å; P412-N414 PolarHBondContact O-N 3.1Å; N414-P417 HydrophobicContact CB-CG 4.37Å; N414-D448 VanDerWaalsContact CA-CG 3.44Å; N414-D448 WeakPolarHBondContact CA-OD1 3.29Å; N414-D448 WeakPolarHBondContact CA-OD2 3.41Å; N414-D448 HydrophobicContact CB-CB 4.29Å; N414-D448 WeakPolarHBondContact CB-OD2 3.28Å
415	F	96.5	Very high	95.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.			trans	-94	-26.9	-179.4	-68.4	-0.4	0	0	0	113	F365 T413 P417 V418 I419 I440 T442 I446 D448 T452 I468 M479	F365-F415 AromaticContact CE2-CD1 3.81Å; F365-F415 HydrophobicContact CE2-CD1 3.81Å; F365-F415 AromaticContact CE2-CE1 3.67Å; F365-F415 HydrophobicContact CE2-CE1 3.67Å; F365-F415 AromaticContact CZ-CD1 3.86Å; F365-F415 HydrophobicContact CZ-CD1 3.86Å; F365-F415 AromaticContact CZ-CE1 3.59Å; F365-F415 HydrophobicContact CZ-CE1 3.59Å; T413-F415 HydrophobicContact CG2-CD1 4.48Å; T413-F415 HydrophobicContact CG2-CE1 3.8Å; F415-P417 VanDerWaalsContact C-N 3.29Å; F415-V418 WeakPolarHBondContact O-CG2 3.15Å; F415-V418 PolarHBondContact O-N 2.97Å; F415-I419 HydrophobicContact CB-CD1 4.05Å; F415-I419 WeakPolarHBondContact O-CG1 3.46Å; F415-I419 PolarHBondContact O-N 2.78Å; F415-I419 VanDerWaalsContact O-N 3.08Å; F415-I440 HydrophobicContact CB-CD1 4.37Å; F415-I440 HydrophobicContact CD1-CG2 4.19Å; F415-I440 HydrophobicContact CD2-CD1 4.14Å; F415-I440 HydrophobicContact CD2-CG2 4.43Å; F415-I440 HydrophobicContact CE1-CG2 3.93Å; F415-I440 HydrophobicContact CE2-CG2 4.16Å; F415-I440 HydrophobicContact CG-CD1 4.21Å; F415-I440 HydrophobicContact CG-CG2 4.47Å; F415-I440 HydrophobicContact CZ-CG2 3.93Å; F415-T442 HydrophobicContact CE1-CG2 4.28Å; F415-T442 HydrophobicContact CE2-CG2 4.3Å; F415-T442 HydrophobicContact CZ-CG2 3.47Å; F415-T442 VanDerWaalsContact CZ-CG2 3.47Å; F415-I446 HydrophobicContact CD2-CD1 3.71Å; F415-I446 HydrophobicContact CD2-CG1 4.05Å; F415-I446 HydrophobicContact CE2-CD1 3.46Å; F415-I446 VanDerWaalsContact CE2-CD1 3.46Å; F415-I446 HydrophobicContact CE2-CG1 3.62Å; F415-I446 HydrophobicContact CZ-CD1 4.22Å; F415-I446 HydrophobicContact CZ-CG1 3.88Å; F415-D448 PolarHBondContact N-OD1 2.77Å; F415-D448 PolarHBondContact N-OD2 2.93Å; F415-T452 HydrophobicContact CB-CG2 4.07Å; F415-T452 HydrophobicContact CD2-CG2 4.44Å; F415-I468 HydrophobicContact CD2-CD1 4.41Å; F415-I468 HydrophobicContact CE2-CD1 4.24Å; F415-I468 HydrophobicContact CE2-CG2 4.21Å; F415-M479 HydrophobicContact CE2-CE 4.49Å; F415-M479 HydrophobicContact CZ-CE 4.29Å
416	A	97.3	Very high	95.7	Very high	6 Å²	6	39 Å²	39	5%	0.05	20%	0.198	C	C	.	.	H	α-helix	trans	-53.9	-39.4	-176.7	0	0	0	0	0	113.4	N420 D448 Q451 T452	A416-N420 VanDerWaalsContact O-CB 3.24Å; A416-N420 WeakPolarHBondContact O-CB 3.32Å; A416-N420 PolarHBondContact O-N 2.76Å; A416-N420 PolarHBondContact O-ND2 2.91Å; A416-D448 WeakPolarHBondContact CB-OD2 3.23Å; A416-D448 PolarHBondContact N-OD2 2.77Å; A416-Q451 HydrophobicContact CB-CB 3.75Å; A416-T452 PolarHBondContact N-OG1 3.47Å
417	P	97.4	Very high	96	Very high	38 Å²	38	38.6 Å²	38.6	25%	0.247	20%	0.195	C	C	.	.	H	α-helix	trans	-59.3	-48.9	178	-27.3	38.5	0	0	0	113.6	H377 E378 N414 F415 N420 H421	H377-P417 HydrophobicContact CB-CB 4.23Å; H377-P417 HydrophobicContact CB-CG 3.81Å; E378-P417 HydrophobicContact CB-CB 4.48Å; N414-P417 HydrophobicContact CB-CG 4.37Å; F415-P417 VanDerWaalsContact C-N 3.29Å; P417-N420 PolarHBondContact O-N 2.88Å; P417-H421 PolarHBondContact O-N 3.42Å
418	V	97.1	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.8	-35.8	-178.8	-65.8	0	0	0	0	112.2	A313 F365 E378 F415 H421 V422 I440	A313-V418 HydrophobicContact CB-CB 4.06Å; A313-V418 HydrophobicContact CB-CG1 4.06Å; A313-V418 HydrophobicContact CB-CG2 4.1Å; F365-V418 HydrophobicContact CB-CG1 4.31Å; F365-V418 HydrophobicContact CD1-CG1 4.2Å; E378-V418 HydrophobicContact CG-CG1 4.43Å; F415-V418 WeakPolarHBondContact O-CG2 3.15Å; F415-V418 PolarHBondContact O-N 2.97Å; V418-H421 WeakPolarHBondContact O-CB 3.25Å; V418-H421 PolarHBondContact O-N 2.96Å; V418-V422 PolarHBondContact O-N 3.04Å; V418-I440 HydrophobicContact CG2-CD1 4.19Å
419	I	98.3	Very high	95.9	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-47.7	173	-63.7	169.8	0	0	0	110.1	F415 H421 V422 A423 L438 I440 T452 I456 A459 I466	F415-I419 HydrophobicContact CB-CD1 4.05Å; F415-I419 WeakPolarHBondContact O-CG1 3.46Å; F415-I419 PolarHBondContact O-N 2.78Å; F415-I419 VanDerWaalsContact O-N 3.08Å; I419-H421 PolarHBondContact O-N 2.9Å; I419-V422 PolarHBondContact O-N 2.98Å; I419-A423 VanDerWaalsContact O-CB 3.26Å; I419-A423 WeakPolarHBondContact O-CB 3.1Å; I419-A423 PolarHBondContact O-N 2.68Å; I419-L438 HydrophobicContact CB-CD2 4.46Å; I419-L438 HydrophobicContact CG1-CD2 3.99Å; I419-I440 HydrophobicContact CD1-CD1 4.48Å; I419-I440 HydrophobicContact CG1-CD1 4.15Å; I419-T452 HydrophobicContact CD1-CG2 3.94Å; I419-I456 HydrophobicContact CD1-CG1 4.17Å; I419-A459 HydrophobicContact CG2-CB 4.46Å; I419-I466 HydrophobicContact CD1-CD1 4.17Å; I419-I466 HydrophobicContact CG1-CD1 4.11Å; I419-I466 HydrophobicContact CG2-CD1 3.88Å
420	N	98.1	Very high	95.7	Very high	65 Å²	65	44.1 Å²	44.1	35%	0.348	23%	0.227	S	C	.	.	H	α-helix	trans	-66	-26	178.2	-70.4	-33.5	0	0	0	112.6	A416 P417 R424 S455	A416-N420 VanDerWaalsContact O-CB 3.24Å; A416-N420 WeakPolarHBondContact O-CB 3.32Å; A416-N420 PolarHBondContact O-N 2.76Å; A416-N420 PolarHBondContact O-ND2 2.91Å; P417-N420 PolarHBondContact O-N 2.88Å; N420-R424 VanDerWaalsContact O-CG 3.3Å; N420-R424 WeakPolarHBondContact O-CG 3.35Å; N420-R424 PolarHBondContact O-N 3.03Å; N420-R424 PolarHBondContact O-NE 2.83Å; N420-S455 PolarHBondContact ND2-OG 3.44Å; N420-S455 PolarHBondContact OD1-OG 2.83Å
421	H	95.8	Very high	95.6	Very high	16 Å²	16	44.6 Å²	44.6	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-58.5	171.5	-173.7	112.4	0	0	0	110.7	E378 P417 V418 I419 A423 R424 Y425	E378-H421 IonicContact OE1-CE1 2.75Å; E378-H421 PolarHBondContact OE1-CE1 3.45Å; E378-H421 IonicContact OE1-CG 2.88Å; E378-H421 IonicContact OE1-ND1 3.75Å; E378-H421 PolarHBondContact OE1-ND1 2.81Å; E378-H421 IonicContact OE2-CG 3.3Å; E378-H421 IonicContact OE2-ND1 3.3Å; E378-H421 PolarHBondContact OE2-ND1 3.01Å; P417-H421 PolarHBondContact O-N 3.42Å; V418-H421 WeakPolarHBondContact O-CB 3.25Å; V418-H421 PolarHBondContact O-N 2.96Å; I419-H421 PolarHBondContact O-N 2.9Å; H421-A423 VanDerWaalsContact C-N 3.33Å; H421-A423 PolarHBondContact O-N 3.12Å; H421-R424 VanDerWaalsContact CA-NH2 3.32Å; H421-R424 WeakPolarHBondContact O-CB 3.27Å; H421-R424 PolarHBondContact O-N 3.05Å; H421-Y425 AromaticContact CD2-CE2 3.56Å; H421-Y425 AromaticContact NE2-CE2 3.38Å; H421-Y425 WeakPolarHBondContact NE2-CE2 3.4Å; H421-Y425 VanDerWaalsContact O-CD2 3.22Å; H421-Y425 WeakPolarHBondContact O-CD2 3.33Å
422	V	97.2	Very high	95.6	Very high	2 Å²	2	44 Å²	44	1%	0.012	23%	0.231	C	C	.	.	H	α-helix	trans	-64.6	-39.6	-178.9	-179.3	0	0	0	0	111.4	T311 V418 I419 R424 Y425 A426 F436 L438 M464	T311-V422 HydrophobicContact CG2-CG2 3.79Å; V418-V422 PolarHBondContact O-N 3.04Å; I419-V422 PolarHBondContact O-N 2.98Å; V422-R424 PolarHBondContact O-N 2.84Å; V422-Y425 PolarHBondContact O-N 3.32Å; V422-Y425 VanDerWaalsContact O-N 3.09Å; V422-A426 PolarHBondContact O-N 3.06Å; V422-F436 HydrophobicContact CG1-CB 3.73Å; V422-F436 HydrophobicContact CG1-CD1 4.39Å; V422-F436 HydrophobicContact CG1-CG 4.32Å; V422-L438 HydrophobicContact CB-CD2 4.48Å; V422-L438 HydrophobicContact CG1-CB 4.49Å; V422-L438 HydrophobicContact CG2-CB 4.15Å; V422-L438 HydrophobicContact CG2-CD1 3.96Å; V422-L438 HydrophobicContact CG2-CD2 4.09Å; V422-L438 HydrophobicContact CG2-CG 4.28Å; V422-M464 HydrophobicContact CB-CE 4.08Å; V422-M464 HydrophobicContact CG1-CE 3.92Å
423	A	97.9	Very high	95.5	Very high	13 Å²	13	43.2 Å²	43.2	11%	0.107	23%	0.227	C	C	.	.	H	α-helix	trans	-58.5	-32.8	177.2	0	0	0	0	0	113.2	I419 H421 A426 S427 L462 M464	I419-A423 VanDerWaalsContact O-CB 3.26Å; I419-A423 WeakPolarHBondContact O-CB 3.1Å; I419-A423 PolarHBondContact O-N 2.68Å; H421-A423 VanDerWaalsContact C-N 3.33Å; H421-A423 PolarHBondContact O-N 3.12Å; A423-A426 PolarHBondContact O-N 3.2Å; A423-S427 VanDerWaalsContact O-CB 3.3Å; A423-S427 WeakPolarHBondContact O-CB 3.32Å; A423-S427 PolarHBondContact O-N 3.2Å; A423-L462 HydrophobicContact CB-CD1 3.82Å; A423-L462 WeakPolarHBondContact O-CD1 3.27Å; A423-M464 HydrophobicContact CB-SD 3.82Å
424	R	96.5	Very high	95.5	Very high	134 Å²	134	45.6 Å²	45.6	51%	0.506	24%	0.237	S	C	.	.	H	α-helix	trans	-61.5	-45.9	175.2	-80.9	173.9	-87.1	148.2	-12.7	111.2	E378 N420 H421 V422 S427	E378-R424 IonicContact OE2-NH2 3.05Å; E378-R424 PolarHBondContact OE2-NH2 3.37Å; N420-R424 VanDerWaalsContact O-CG 3.3Å; N420-R424 WeakPolarHBondContact O-CG 3.35Å; N420-R424 PolarHBondContact O-N 3.03Å; N420-R424 PolarHBondContact O-NE 2.83Å; H421-R424 VanDerWaalsContact CA-NH2 3.32Å; H421-R424 WeakPolarHBondContact O-CB 3.27Å; H421-R424 PolarHBondContact O-N 3.05Å; V422-R424 PolarHBondContact O-N 2.84Å; R424-S427 PolarHBondContact O-N 3.03Å; R424-S427 PolarHBondContact O-OG 3.35Å
425	Y	94.2	Very high	95.5	Very high	107 Å²	107	44.3 Å²	44.3	42%	0.42	23%	0.23	S	C	.	.	H	α-helix	trans	-67.5	-47.5	176.6	-64.4	-85.6	0	0	0	111.4	H421 V422 S427 S428	H421-Y425 AromaticContact CD2-CE2 3.56Å; H421-Y425 AromaticContact NE2-CE2 3.38Å; H421-Y425 WeakPolarHBondContact NE2-CE2 3.4Å; H421-Y425 VanDerWaalsContact O-CD2 3.22Å; H421-Y425 WeakPolarHBondContact O-CD2 3.33Å; V422-Y425 PolarHBondContact O-N 3.32Å; V422-Y425 VanDerWaalsContact O-N 3.09Å; Y425-S427 PolarHBondContact O-N 3.09Å; Y425-S428 WeakPolarHBondContact O-CB 3.45Å; Y425-S428 PolarHBondContact O-N 3.33Å; Y425-S428 PolarHBondContact O-OG 3.22Å
426	A	96.9	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.8	-34.7	178.2	0	0	0	0	0	112.6	V422 A423 S428 V429 F436 L462 P463 M464	V422-A426 PolarHBondContact O-N 3.06Å; A423-A426 PolarHBondContact O-N 3.2Å; A426-S428 PolarHBondContact O-N 2.89Å; A426-V429 PolarHBondContact O-N 3.21Å; A426-V429 VanDerWaalsContact O-N 3.15Å; A426-F436 HydrophobicContact CB-CB 4.46Å; A426-F436 HydrophobicContact CB-CD2 3.6Å; A426-F436 HydrophobicContact CB-CE2 4.13Å; A426-F436 HydrophobicContact CB-CG 4.14Å; A426-L462 HydrophobicContact CB-CB 4.11Å; A426-L462 HydrophobicContact CB-CD1 4.38Å; A426-P463 HydrophobicContact CB-CG 4.21Å; A426-P463 WeakPolarHBondContact O-CD 3.27Å; A426-P463 WeakPolarHBondContact O-CG 3.41Å; A426-M464 HydrophobicContact CB-CB 4.15Å; A426-M464 HydrophobicContact CB-CG 4.42Å; A426-M464 HydrophobicContact CB-SD 4.2Å
427	S	96.8	Very high	95.4	Very high	60 Å²	60	44.9 Å²	44.9	42%	0.42	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.7	178.1	78	0	0	0	0	115	A423 R424 Y425 V429	A423-S427 VanDerWaalsContact O-CB 3.3Å; A423-S427 WeakPolarHBondContact O-CB 3.32Å; A423-S427 PolarHBondContact O-N 3.2Å; R424-S427 PolarHBondContact O-N 3.03Å; R424-S427 PolarHBondContact O-OG 3.35Å; Y425-S427 PolarHBondContact O-N 3.09Å; S427-V429 VanDerWaalsContact C-N 3.33Å
428	S	94.8	Very high	95.4	Very high	93 Å²	93	43.1 Å²	43.1	65%	0.65	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-14.8	178	74.8	0	0	0	0	113.2	Y425 A426	Y425-S428 WeakPolarHBondContact O-CB 3.45Å; Y425-S428 PolarHBondContact O-N 3.33Å; Y425-S428 PolarHBondContact O-OG 3.22Å; A426-S428 PolarHBondContact O-N 2.89Å
429	V	94	Very high	95.4	Very high	10 Å²	10	43.1 Å²	43.1	6%	0.061	22%	0.22	C	C	.	.			trans	-106.4	124.6	-176.3	-178.7	0	0	0	0	110	A426 S427 Q434 F436 P463	A426-V429 PolarHBondContact O-N 3.21Å; A426-V429 VanDerWaalsContact O-N 3.15Å; S427-V429 VanDerWaalsContact C-N 3.33Å; V429-Q434 HydrophobicContact CG1-CB 4.03Å; V429-Q434 HydrophobicContact CG2-CB 4.12Å; V429-F436 HydrophobicContact CB-CE2 4.38Å; V429-F436 HydrophobicContact CG2-CE2 3.91Å; V429-F436 HydrophobicContact CG2-CZ 4.2Å; V429-P463 HydrophobicContact CB-CG 4.21Å; V429-P463 HydrophobicContact CG1-CG 4.47Å
430	K	91.9	Very high	95.3	Very high	170 Å²	170	43 Å²	43	74%	0.739	22%	0.22	S	C	*	.			trans	-132.5	-12.7	-176.6	-63.1	-175.1	-177.6	178.1	0	114.5
431	D	92.6	Very high	95.2	Very high	110 Å²	110	40 Å²	40	59%	0.588	20%	0.204	S	C	*	.	S	Bend	trans	-93.7	-6.7	-175	58.8	2.5	0	0	0	113.3	S433 I544	D431-S433 VanDerWaalsContact OD1-CB 3.27Å; D431-S433 WeakPolarHBondContact OD1-CB 3.39Å; D431-S433 PolarHBondContact OD1-N 2.91Å; D431-S433 PolarHBondContact OD1-OG 3.26Å; D431-I544 WeakPolarHBondContact O-CG2 3.35Å
432	G	91.7	Very high	95.2	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.031	20%	0.2	C	C	.	.	S	Bend	trans	80.6	13.7	-177.4	0	0	0	0	0	114.5	T306 Q434	T306-G432 WeakPolarHBondContact CG2-O 3.41Å; T306-G432 PolarHBondContact OG1-O 3.2Å; G432-Q434 VanDerWaalsContact C-N 3.26Å; G432-Q434 PolarHBondContact O-N 3.24Å
433	S	91.9	Very high	94.9	Very high	44 Å²	44	39.8 Å²	39.8	31%	0.308	20%	0.203	S	C	.	.	S	Bend	trans	-65.7	-28.5	173.5	56.3	0	0	0	0	113.1	T306 Q307 D431	T306-S433 WeakPolarHBondContact CA-O 3.43Å; Q307-S433 PolarHBondContact N-O 3.21Å; D431-S433 VanDerWaalsContact OD1-CB 3.27Å; D431-S433 WeakPolarHBondContact OD1-CB 3.39Å; D431-S433 PolarHBondContact OD1-N 2.91Å; D431-S433 PolarHBondContact OD1-OG 3.26Å
434	Q	93.8	Very high	93.7	Very high	59 Å²	59	39.3 Å²	39.3	28%	0.276	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	144	-178.9	-62.9	174.2	48.7	0	0	110.7	Q307 V429 G432 F436	Q307-Q434 HydrophobicContact CB-CG 4.4Å; Q307-Q434 CarbonylContact O-C 3.51Å; Q307-Q434 WeakPolarHBondContact O-CA 3.48Å; V429-Q434 HydrophobicContact CG1-CB 4.03Å; V429-Q434 HydrophobicContact CG2-CB 4.12Å; G432-Q434 VanDerWaalsContact C-N 3.26Å; G432-Q434 PolarHBondContact O-N 3.24Å; Q434-F436 HydrophobicContact CB-CE2 4.02Å; Q434-F436 HydrophobicContact CB-CZ 4.22Å
435	Y	95.2	Very high	92.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.5	170.6	-165.2	-89.8	0	0	0	109.3	Q307 I308 N309 V437 P463 S465 Q534 F535 Y538	Q307-Y435 PolarHBondContact O-N 3.42Å; I308-Y435 CarbonylContact C-O 3.55Å; I308-Y435 WeakPolarHBondContact CA-O 3.31Å; N309-Y435 PolarHBondContact N-O 2.99Å; Y435-V437 HydrophobicContact CD1-CG2 4.22Å; Y435-V437 HydrophobicContact CE1-CG2 4.41Å; Y435-P463 HydrophobicContact CD2-CB 3.84Å; Y435-P463 HydrophobicContact CE2-CB 4.35Å; Y435-S465 PolarHBondContact OH-OG 3.14Å; Y435-Q534 PolarHBondContact OH-O 2.71Å; Y435-F535 HydrophobicContact CD1-CD2 4.04Å; Y435-F535 AromaticContact CD2-CD2 3.51Å; Y435-F535 HydrophobicContact CD2-CD2 3.51Å; Y435-F535 HydrophobicContact CD2-CE2 4.09Å; Y435-F535 HydrophobicContact CD2-CG 4.35Å; Y435-F535 HydrophobicContact CE1-CB 4.45Å; Y435-F535 HydrophobicContact CE2-CB 4.24Å; Y435-F535 HydrophobicContact CE2-CD2 4.03Å; Y435-F535 HydrophobicContact CE2-CG 4.46Å; Y435-F535 AromaticContact CG-CD2 3.5Å; Y435-F535 HydrophobicContact CG-CD2 3.5Å; Y435-F535 HydrophobicContact CG-CE2 4.06Å; Y435-F535 PolarHBondContact OH-N 3.5Å; Y435-Y538 HydrophobicContact CD2-CD1 4.41Å; Y435-Y538 HydrophobicContact CE2-CD1 4.29Å; Y435-Y538 HydrophobicContact CE2-CG 4.23Å
436	F	96.3	Very high	92.6	Very high	14 Å²	14	33.1 Å²	33.1	6%	0.061	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.1	-171.6	-62.7	-96.3	0	0	0	111.2	N309 V422 A426 V429 Q434 P463 M464 S465	N309-F436 HydrophobicContact CB-CD1 3.66Å; N309-F436 HydrophobicContact CB-CE1 3.88Å; N309-F436 HydrophobicContact CB-CG 4.33Å; N309-F436 CarbonylContact O-C 3.47Å; N309-F436 WeakPolarHBondContact O-CA 3.32Å; V422-F436 HydrophobicContact CG1-CB 3.73Å; V422-F436 HydrophobicContact CG1-CD1 4.39Å; V422-F436 HydrophobicContact CG1-CG 4.32Å; A426-F436 HydrophobicContact CB-CB 4.46Å; A426-F436 HydrophobicContact CB-CD2 3.6Å; A426-F436 HydrophobicContact CB-CE2 4.13Å; A426-F436 HydrophobicContact CB-CG 4.14Å; V429-F436 HydrophobicContact CB-CE2 4.38Å; V429-F436 HydrophobicContact CG2-CE2 3.91Å; V429-F436 HydrophobicContact CG2-CZ 4.2Å; Q434-F436 HydrophobicContact CB-CE2 4.02Å; Q434-F436 HydrophobicContact CB-CZ 4.22Å; F436-P463 PolarHBondContact N-O 2.88Å; F436-M464 HydrophobicContact CB-CB 3.95Å; F436-M464 CarbonylContact O-C 3.48Å; F436-M464 WeakPolarHBondContact O-CA 3.28Å; F436-M464 WeakPolarHBondContact O-CB 3.16Å; F436-S465 PolarHBondContact O-N 2.89Å
437	V	95.3	Very high	92.4	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.024	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.8	175.9	-180	0	0	0	0	108.2	I308 N309 F310 T311 Y435 S465 I467 I531	I308-V437 HydrophobicContact CG2-CG2 3.8Å; N309-V437 PolarHBondContact O-N 2.9Å; F310-V437 WeakPolarHBondContact CA-O 3.24Å; F310-V437 HydrophobicContact CD2-CB 3.97Å; F310-V437 HydrophobicContact CD2-CG1 3.83Å; F310-V437 HydrophobicContact CE2-CG1 3.97Å; T311-V437 PolarHBondContact N-O 3.19Å; Y435-V437 HydrophobicContact CD1-CG2 4.22Å; Y435-V437 HydrophobicContact CE1-CG2 4.41Å; V437-S465 WeakPolarHBondContact CA-O 3.44Å; V437-I467 HydrophobicContact CG1-CD1 3.64Å; V437-I467 HydrophobicContact CG1-CG1 4.34Å; V437-I531 HydrophobicContact CG1-CD1 4.19Å; V437-I531 HydrophobicContact CG2-CD1 4.42Å; V437-I531 HydrophobicContact CG2-CG2 4.19Å
438	L	97.2	Very high	92.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.5	176.3	171.8	58.2	0	0	0	109.8	T311 A313 I419 V422 I440 S465 I466 I467	T311-L438 HydrophobicContact CG2-CD1 3.92Å; T311-L438 CarbonylContact O-C 3.55Å; T311-L438 WeakPolarHBondContact O-CA 3.35Å; A313-L438 HydrophobicContact CB-CD1 3.91Å; I419-L438 HydrophobicContact CB-CD2 4.46Å; I419-L438 HydrophobicContact CG1-CD2 3.99Å; V422-L438 HydrophobicContact CB-CD2 4.48Å; V422-L438 HydrophobicContact CG1-CB 4.49Å; V422-L438 HydrophobicContact CG2-CB 4.15Å; V422-L438 HydrophobicContact CG2-CD1 3.96Å; V422-L438 HydrophobicContact CG2-CD2 4.09Å; V422-L438 HydrophobicContact CG2-CG 4.28Å; L438-I440 HydrophobicContact CD1-CG1 4.3Å; L438-I440 HydrophobicContact CD2-CD1 4.08Å; L438-I440 HydrophobicContact CD2-CG1 4.14Å; L438-I440 HydrophobicContact CG-CD1 4.38Å; L438-I440 HydrophobicContact CG-CG1 3.9Å; L438-S465 PolarHBondContact N-O 3.12Å; L438-I466 CarbonylContact O-C 3.55Å; L438-I466 WeakPolarHBondContact O-CA 3.29Å; L438-I467 PolarHBondContact O-N 2.89Å
439	L	96.4	Very high	92.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.4	168.5	171.8	65.3	0	0	0	110.2	F310 T311 V312 A313 L344 V347 V441 I467 V469	F310-L439 HydrophobicContact CE1-CB 4.27Å; F310-L439 HydrophobicContact CE1-CD2 4.29Å; F310-L439 HydrophobicContact CE2-CB 3.76Å; F310-L439 HydrophobicContact CZ-CB 3.4Å; F310-L439 HydrophobicContact CZ-CD2 3.65Å; F310-L439 HydrophobicContact CZ-CG 4.12Å; T311-L439 PolarHBondContact O-N 3.09Å; V312-L439 CarbonylContact C-O 3.53Å; A313-L439 PolarHBondContact N-O 3.49Å; L344-L439 HydrophobicContact CD2-CD2 4.2Å; V347-L439 HydrophobicContact CB-CD2 4.1Å; V347-L439 HydrophobicContact CG1-CD2 4.22Å; V347-L439 HydrophobicContact CG2-CD2 4.4Å; L439-V441 HydrophobicContact CD1-CG2 4.2Å; L439-V441 HydrophobicContact CD2-CG2 4.12Å; L439-V441 HydrophobicContact CG-CG2 3.98Å; L439-I467 CarbonylContact C-O 3.58Å; L439-I467 HydrophobicContact CD1-CB 4.06Å; L439-I467 HydrophobicContact CD1-CG2 3.49Å; L439-I467 VanDerWaalsContact CD1-CG2 3.49Å; L439-V469 HydrophobicContact CD1-CB 4.47Å; L439-V469 HydrophobicContact CD1-CG2 3.71Å
440	I	96.9	Very high	92.3	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.4	171.2	-53.9	-178	0	0	0	108.4	A313 F365 F415 V418 I419 L438 I466 I467 I468 V469	A313-I440 HydrophobicContact CB-CG1 4.34Å; A313-I440 WeakPolarHBondContact O-CA 3.29Å; F365-I440 HydrophobicContact CE1-CG2 4.02Å; F365-I440 HydrophobicContact CZ-CG2 3.95Å; F415-I440 HydrophobicContact CB-CD1 4.37Å; F415-I440 HydrophobicContact CD1-CG2 4.19Å; F415-I440 HydrophobicContact CD2-CD1 4.14Å; F415-I440 HydrophobicContact CD2-CG2 4.43Å; F415-I440 HydrophobicContact CE1-CG2 3.93Å; F415-I440 HydrophobicContact CE2-CG2 4.16Å; F415-I440 HydrophobicContact CG-CD1 4.21Å; F415-I440 HydrophobicContact CG-CG2 4.47Å; F415-I440 HydrophobicContact CZ-CG2 3.93Å; V418-I440 HydrophobicContact CG2-CD1 4.19Å; I419-I440 HydrophobicContact CD1-CD1 4.48Å; I419-I440 HydrophobicContact CG1-CD1 4.15Å; L438-I440 HydrophobicContact CD1-CG1 4.3Å; L438-I440 HydrophobicContact CD2-CD1 4.08Å; L438-I440 HydrophobicContact CD2-CG1 4.14Å; L438-I440 HydrophobicContact CG-CD1 4.38Å; L438-I440 HydrophobicContact CG-CG1 3.9Å; I440-I466 HydrophobicContact CD1-CG2 4Å; I440-I466 HydrophobicContact CG1-CG2 4.4Å; I440-I467 PolarHBondContact N-O 2.83Å; I440-I468 HydrophobicContact CB-CG1 4.41Å; I440-I468 CarbonylContact O-C 3.56Å; I440-I468 WeakPolarHBondContact O-CA 3.39Å; I440-V469 PolarHBondContact O-N 2.91Å
441	V	96.8	Very high	92.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	125.4	172.1	-166.9	0	0	0	0	108.8	A313 D315 Y340 A343 L344 L439 V469 V471	A313-V441 PolarHBondContact O-N 3.15Å; D315-V441 WeakPolarHBondContact CB-O 3.49Å; D315-V441 PolarHBondContact N-O 3.21Å; Y340-V441 HydrophobicContact CD1-CB 3.8Å; Y340-V441 HydrophobicContact CD1-CG1 3.36Å; Y340-V441 HydrophobicContact CE1-CB 4.01Å; Y340-V441 HydrophobicContact CE1-CG1 3.67Å; Y340-V441 WeakPolarHBondContact CE1-O 2.82Å; Y340-V441 HydrophobicContact CG-CG1 4.13Å; A343-V441 HydrophobicContact CB-CG1 4.24Å; A343-V441 HydrophobicContact CB-CG2 4.48Å; L344-V441 HydrophobicContact CD2-CG2 4.22Å; L439-V441 HydrophobicContact CD1-CG2 4.2Å; L439-V441 HydrophobicContact CD2-CG2 4.12Å; L439-V441 HydrophobicContact CG-CG2 3.98Å; V441-V469 WeakPolarHBondContact CA-O 3.49Å; V441-V469 HydrophobicContact CG1-CB 4.47Å; V441-V471 HydrophobicContact CG1-CG1 3.85Å
442	T	95.4	Very high	92.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	155.7	-170.5	-179.3	0	0	0	0	112.8	D315 F415 G444 I468 V469 G470 V471 M479	D315-T442 WeakPolarHBondContact OD2-CB 3.32Å; D315-T442 PolarHBondContact OD2-OG1 3.31Å; F415-T442 HydrophobicContact CE1-CG2 4.28Å; F415-T442 HydrophobicContact CE2-CG2 4.3Å; F415-T442 HydrophobicContact CZ-CG2 3.47Å; F415-T442 VanDerWaalsContact CZ-CG2 3.47Å; T442-G444 PolarHBondContact OG1-N 2.99Å; T442-I468 HydrophobicContact CG2-CG2 4.08Å; T442-V469 PolarHBondContact N-O 3.01Å; T442-V469 VanDerWaalsContact N-O 3.08Å; T442-G470 CarbonylContact O-C 3.5Å; T442-G470 WeakPolarHBondContact O-CA 3.49Å; T442-V471 WeakPolarHBondContact O-CG2 3.42Å; T442-V471 PolarHBondContact O-N 3.01Å; T442-M479 HydrophobicContact CG2-CE 4Å
443	D	90.6	Very high	93	Very high	14 Å²	14	27 Å²	27	8%	0.075	16%	0.158	C	C	.	.	S	Bend	trans	-96.3	6.2	178.5	72.4	-41.7	0	0	0	115.4	S319 N320 L329 Y340 V471 A474	S319-D443 WeakPolarHBondContact CB-OD2 3.14Å; S319-D443 VanDerWaalsContact OG-CG 3.27Å; S319-D443 PolarHBondContact OG-OD1 3.28Å; S319-D443 PolarHBondContact OG-OD2 3.43Å; N320-D443 PolarHBondContact N-OD2 2.84Å; N320-D443 VanDerWaalsContact ND2-CG 3.25Å; N320-D443 PolarHBondContact ND2-OD1 3.47Å; N320-D443 VanDerWaalsContact OD1-CB 3.31Å; N320-D443 WeakPolarHBondContact OD1-CB 3.34Å; L329-D443 HydrophobicContact CD1-CB 3.4Å; L329-D443 VanDerWaalsContact CD1-CB 3.4Å; Y340-D443 PolarHBondContact OH-N 3.32Å; D443-V471 VanDerWaalsContact CA-O 3.29Å; D443-V471 WeakPolarHBondContact CA-O 3.28Å; D443-V471 HydrophobicContact CB-CG2 4.25Å; D443-A474 WeakPolarHBondContact O-CB 3.33Å
444	G	73.4	Confident	93.3	Very high	3 Å²	3	27.7 Å²	27.7	3%	0.031	16%	0.156	C	C	.	.	S	Bend	trans	114.3	27.5	150.4	0	0	0	0	0	119.7	T442 F476	T442-G444 PolarHBondContact OG1-N 2.99Å; G444-F476 VanDerWaalsContact CA-CE1 3.47Å
445	V	78.9	Confident	93.5	Very high	95 Å²	95	25.2 Å²	25.2	58%	0.576	15%	0.145	S	C	*	.			trans	-138.4	107.5	167.4	-177.1	0	0	0	0	111.1	T413 S447	T413-V445 WeakPolarHBondContact CB-O 3.33Å; T413-V445 WeakPolarHBondContact CG2-O 3.03Å; T413-V445 PolarHBondContact OG1-O 2.88Å; V445-S447 PolarHBondContact O-N 2.96Å
446	I	87.9	Confident	93.6	Very high	16 Å²	16	25.3 Å²	25.3	8%	0.082	15%	0.146	C	C	.	.			trans	-79.4	120.6	176.1	-52.4	178.4	0	0	0	109.4	F415 D448 M449 M479 L482	F415-I446 HydrophobicContact CD2-CD1 3.71Å; F415-I446 HydrophobicContact CD2-CG1 4.05Å; F415-I446 HydrophobicContact CE2-CD1 3.46Å; F415-I446 VanDerWaalsContact CE2-CD1 3.46Å; F415-I446 HydrophobicContact CE2-CG1 3.62Å; F415-I446 HydrophobicContact CZ-CD1 4.22Å; F415-I446 HydrophobicContact CZ-CG1 3.88Å; I446-D448 WeakPolarHBondContact CG2-OD1 3.43Å; I446-M449 HydrophobicContact CB-CE 4.38Å; I446-M449 HydrophobicContact CD1-CE 4.07Å; I446-M479 HydrophobicContact CD1-CE 4.01Å; I446-M479 HydrophobicContact CD1-CG 4.31Å; I446-M479 HydrophobicContact CD1-SD 4.2Å; I446-M479 HydrophobicContact CG1-CE 3.57Å; I446-M479 HydrophobicContact CG1-SD 4.2Å; I446-L482 HydrophobicContact CD1-CD1 3.45Å; I446-L482 VanDerWaalsContact CD1-CD1 3.45Å
447	S	92.1	Very high	93.7	Very high	67 Å²	67	25.3 Å²	25.3	47%	0.469	15%	0.147	S	C	.	.	S	Bend	trans	-87.9	-27.1	179.7	-59.4	0	0	0	0	113	P412 T413 V445	P412-S447 WeakPolarHBondContact CB-OG 3.33Å; T413-S447 PolarHBondContact N-OG 2.64Å; T413-S447 WeakPolarHBondContact O-CB 3.25Å; T413-S447 PolarHBondContact O-N 3.23Å; V445-S447 PolarHBondContact O-N 2.96Å
448	D	94.5	Very high	93.8	Very high	11 Å²	11	28.6 Å²	28.6	6%	0.059	16%	0.164	C	C	.	.			trans	-107.2	40.5	-176.9	69.8	-17.4	0	0	0	112.7	N414 F415 A416 I446 A450 Q451 T452	N414-D448 VanDerWaalsContact CA-CG 3.44Å; N414-D448 WeakPolarHBondContact CA-OD1 3.29Å; N414-D448 WeakPolarHBondContact CA-OD2 3.41Å; N414-D448 HydrophobicContact CB-CB 4.29Å; N414-D448 WeakPolarHBondContact CB-OD2 3.28Å; F415-D448 PolarHBondContact N-OD1 2.77Å; F415-D448 PolarHBondContact N-OD2 2.93Å; A416-D448 WeakPolarHBondContact CB-OD2 3.23Å; A416-D448 PolarHBondContact N-OD2 2.77Å; I446-D448 WeakPolarHBondContact CG2-OD1 3.43Å; D448-A450 VanDerWaalsContact C-N 3.28Å; D448-A450 PolarHBondContact O-N 2.99Å; D448-A450 VanDerWaalsContact O-N 3.14Å; D448-Q451 HydrophobicContact CB-CB 4.22Å; D448-Q451 PolarHBondContact O-N 2.97Å; D448-Q451 PolarHBondContact O-OE1 3.18Å; D448-T452 WeakPolarHBondContact O-CB 3.31Å; D448-T452 PolarHBondContact O-N 2.97Å; D448-T452 PolarHBondContact O-OG1 2.84Å; D448-T452 PolarHBondContact OD1-OG1 3.38Å
449	M	93.8	Very high	93.8	Very high	39 Å²	39	28.6 Å²	28.6	19%	0.192	16%	0.164	C	C	.	.	H	α-helix	trans	-51.1	-43	-173.1	179.7	55.9	85.6	0	0	113.6	I446 Q451 T452 K453 A478 L482	I446-M449 HydrophobicContact CB-CE 4.38Å; I446-M449 HydrophobicContact CD1-CE 4.07Å; M449-Q451 PolarHBondContact O-N 2.87Å; M449-T452 PolarHBondContact O-N 2.91Å; M449-K453 HydrophobicContact CG-CD 4.48Å; M449-K453 WeakPolarHBondContact O-CG 3.41Å; M449-K453 PolarHBondContact O-N 2.83Å; M449-K453 HydrophobicContact SD-CD 4.34Å; M449-K453 HydrophobicContact SD-CG 4.13Å; M449-A478 HydrophobicContact CE-CB 3.41Å; M449-A478 VanDerWaalsContact CE-CB 3.41Å; M449-A478 VanDerWaalsContact CE-O 3.25Å; M449-A478 WeakPolarHBondContact CE-O 3.36Å; M449-L482 HydrophobicContact CE-CG 4.39Å; M449-L482 HydrophobicContact SD-CD1 4.43Å; M449-L482 HydrophobicContact SD-CD2 3.79Å; M449-L482 HydrophobicContact SD-CG 4.22Å
450	A	95.5	Very high	93.8	Very high	65 Å²	65	28.7 Å²	28.7	54%	0.537	17%	0.165	S	C	.	.	H	α-helix	trans	-64.7	-41.1	-180	0	0	0	0	0	112.5	D448 E454	D448-A450 VanDerWaalsContact C-N 3.28Å; D448-A450 PolarHBondContact O-N 2.99Å; D448-A450 VanDerWaalsContact O-N 3.14Å; A450-E454 PolarHBondContact O-N 3.33Å; A450-E454 VanDerWaalsContact O-N 3.09Å
451	Q	97.3	Very high	93.8	Very high	103 Å²	103	33 Å²	33	48%	0.481	18%	0.183	S	C	.	.	H	α-helix	trans	-71.1	-40.1	177.2	-64.1	83.2	-16	0	0	110.7	A416 D448 M449 E454 S455	A416-Q451 HydrophobicContact CB-CB 3.75Å; D448-Q451 HydrophobicContact CB-CB 4.22Å; D448-Q451 PolarHBondContact O-N 2.97Å; D448-Q451 PolarHBondContact O-OE1 3.18Å; M449-Q451 PolarHBondContact O-N 2.87Å; Q451-E454 WeakPolarHBondContact O-CB 3.48Å; Q451-E454 PolarHBondContact O-N 3.2Å; Q451-S455 WeakPolarHBondContact O-CB 3.14Å; Q451-S455 PolarHBondContact O-N 3.33Å; Q451-S455 PolarHBondContact O-OG 2.83Å
452	T	96.9	Very high	93.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.5	-46.8	175.5	-67.3	0	0	0	0	111	F415 A416 I419 D448 M449 E454 S455 I456 L482	F415-T452 HydrophobicContact CB-CG2 4.07Å; F415-T452 HydrophobicContact CD2-CG2 4.44Å; A416-T452 PolarHBondContact N-OG1 3.47Å; I419-T452 HydrophobicContact CD1-CG2 3.94Å; D448-T452 WeakPolarHBondContact O-CB 3.31Å; D448-T452 PolarHBondContact O-N 2.97Å; D448-T452 PolarHBondContact O-OG1 2.84Å; D448-T452 PolarHBondContact OD1-OG1 3.38Å; M449-T452 PolarHBondContact O-N 2.91Å; T452-E454 PolarHBondContact O-N 3.3Å; T452-S455 PolarHBondContact O-N 3.06Å; T452-I456 HydrophobicContact CG2-CD1 3.84Å; T452-I456 WeakPolarHBondContact O-CG1 3.39Å; T452-I456 PolarHBondContact O-N 3.31Å; T452-L482 HydrophobicContact CG2-CD1 3.78Å; T452-L482 HydrophobicContact CG2-CD2 4.48Å
453	K	97	Very high	93.9	Very high	34 Å²	34	34.2 Å²	34.2	15%	0.148	19%	0.19	C	C	.	.	H	α-helix	trans	-60.1	-42.5	172.6	-72.9	-179.1	-178.6	166.2	0	112.6	M449 S455 I456 V457 E481 L482 V489	M449-K453 HydrophobicContact CG-CD 4.48Å; M449-K453 WeakPolarHBondContact O-CG 3.41Å; M449-K453 PolarHBondContact O-N 2.83Å; M449-K453 HydrophobicContact SD-CD 4.34Å; M449-K453 HydrophobicContact SD-CG 4.13Å; K453-S455 VanDerWaalsContact C-N 3.34Å; K453-S455 PolarHBondContact O-N 3.13Å; K453-I456 PolarHBondContact O-N 2.93Å; K453-V457 WeakPolarHBondContact O-CB 3.32Å; K453-V457 VanDerWaalsContact O-CG2 3.27Å; K453-V457 WeakPolarHBondContact O-CG2 3.27Å; K453-V457 PolarHBondContact O-N 3.34Å; K453-E481 IonicContact NZ-OE1 3.66Å; K453-E481 PolarHBondContact NZ-OE1 3.16Å; K453-E481 IonicContact NZ-OE2 2.71Å; K453-E481 PolarHBondContact NZ-OE2 3.08Å; K453-L482 HydrophobicContact CG-CD2 3.81Å; K453-V489 HydrophobicContact CB-CG1 4.16Å; K453-V489 HydrophobicContact CG-CG1 3.97Å
454	E	97.7	Very high	94.3	Very high	58 Å²	58	33.5 Å²	33.5	27%	0.271	19%	0.186	S	C	.	.	H	α-helix	trans	-61.1	-43	175.5	-176.8	168.6	-158.3	0	0	111.7	A450 Q451 T452 N458 R492	A450-E454 PolarHBondContact O-N 3.33Å; A450-E454 VanDerWaalsContact O-N 3.09Å; Q451-E454 WeakPolarHBondContact O-CB 3.48Å; Q451-E454 PolarHBondContact O-N 3.2Å; T452-E454 PolarHBondContact O-N 3.3Å; E454-N458 WeakPolarHBondContact O-CB 2.98Å; E454-N458 VanDerWaalsContact O-CG 3.25Å; E454-N458 PolarHBondContact O-N 3.48Å; E454-N458 PolarHBondContact O-ND2 3.33Å; E454-R492 IonicContact OE1-CZ 2.56Å; E454-R492 IonicContact OE1-NH1 3.87Å; E454-R492 PolarHBondContact OE1-NH1 2.79Å; E454-R492 IonicContact OE1-NH2 2.65Å; E454-R492 IonicContact OE2-CZ 2.78Å; E454-R492 IonicContact OE2-NH1 3.74Å; E454-R492 PolarHBondContact OE2-NH1 3.05Å; E454-R492 IonicContact OE2-NH2 3.78Å; E454-R492 PolarHBondContact OE2-NH2 3.07Å
455	S	98.1	Very high	95.4	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.042	19%	0.185	C	C	.	.	H	α-helix	trans	-63.8	-44.1	175.6	-76.3	0	0	0	0	112.5	N420 Q451 T452 K453 N458 A459	N420-S455 PolarHBondContact ND2-OG 3.44Å; N420-S455 PolarHBondContact OD1-OG 2.83Å; Q451-S455 WeakPolarHBondContact O-CB 3.14Å; Q451-S455 PolarHBondContact O-N 3.33Å; Q451-S455 PolarHBondContact O-OG 2.83Å; T452-S455 PolarHBondContact O-N 3.06Å; K453-S455 VanDerWaalsContact C-N 3.34Å; K453-S455 PolarHBondContact O-N 3.13Å; S455-N458 PolarHBondContact O-N 3.39Å; S455-A459 WeakPolarHBondContact O-CB 3.35Å; S455-A459 PolarHBondContact O-N 3.21Å
456	I	97.8	Very high	96.2	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-48.3	176.8	-70.1	162.1	0	0	0	110.9	I419 T452 K453 N458 A459 S460 I466 L482 V489 I500 V501	I419-I456 HydrophobicContact CD1-CG1 4.17Å; T452-I456 HydrophobicContact CG2-CD1 3.84Å; T452-I456 WeakPolarHBondContact O-CG1 3.39Å; T452-I456 PolarHBondContact O-N 3.31Å; K453-I456 PolarHBondContact O-N 2.93Å; I456-N458 VanDerWaalsContact C-N 3.27Å; I456-N458 PolarHBondContact O-N 3.4Å; I456-A459 CarbonylContact O-C 3.5Å; I456-A459 PolarHBondContact O-N 3.29Å; I456-A459 VanDerWaalsContact O-N 3.1Å; I456-S460 PolarHBondContact O-N 3.35Å; I456-I466 HydrophobicContact CG1-CD1 4.01Å; I456-L482 HydrophobicContact CD1-CB 4.38Å; I456-L482 HydrophobicContact CD1-CD1 4.09Å; I456-L482 HydrophobicContact CD1-CD2 3.71Å; I456-L482 HydrophobicContact CD1-CG 4.28Å; I456-V489 HydrophobicContact CB-CG1 4.41Å; I456-V489 HydrophobicContact CG2-CB 4.22Å; I456-V489 HydrophobicContact CG2-CG1 4.06Å; I456-V489 HydrophobicContact CG2-CG2 4.39Å; I456-I500 HydrophobicContact CG2-CD1 4.22Å; I456-I500 HydrophobicContact CG2-CG1 4.15Å; I456-V501 HydrophobicContact CD1-CG2 3.9Å; I456-V501 HydrophobicContact CG1-CG2 4.11Å; I456-V501 HydrophobicContact CG2-CG2 3.9Å
457	V	97.7	Very high	96.6	Very high	14 Å²	14	28.1 Å²	28.1	9%	0.085	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-43.4	177.1	170.4	0	0	0	0	110.5	K453 S460 V489 K494 A496	K453-V457 WeakPolarHBondContact O-CB 3.32Å; K453-V457 VanDerWaalsContact O-CG2 3.27Å; K453-V457 WeakPolarHBondContact O-CG2 3.27Å; K453-V457 PolarHBondContact O-N 3.34Å; V457-S460 PolarHBondContact O-N 2.66Å; V457-S460 PolarHBondContact O-OG 3.23Å; V457-V489 HydrophobicContact CG2-CG1 4.26Å; V457-K494 HydrophobicContact CG1-CB 4.19Å; V457-A496 HydrophobicContact CG2-CB 4.38Å
458	N	97.3	Very high	96.7	Very high	74 Å²	74	25 Å²	25	40%	0.396	13%	0.132	S	C	.	.	H	α-helix	trans	-68.1	-34.9	176.8	-74.7	-37.8	0	0	0	113.3	E454 S455 I456 K461	E454-N458 WeakPolarHBondContact O-CB 2.98Å; E454-N458 VanDerWaalsContact O-CG 3.25Å; E454-N458 PolarHBondContact O-N 3.48Å; E454-N458 PolarHBondContact O-ND2 3.33Å; S455-N458 PolarHBondContact O-N 3.39Å; I456-N458 VanDerWaalsContact C-N 3.27Å; I456-N458 PolarHBondContact O-N 3.4Å; N458-K461 WeakPolarHBondContact O-CD 3.49Å; N458-K461 WeakPolarHBondContact O-CE 3.38Å; N458-K461 WeakPolarHBondContact O-CG 3.27Å
459	A	97.9	Very high	96.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-75	-26.9	178.9	0	0	0	0	0	113	I419 S455 I456 K461 L462 M464 I500	I419-A459 HydrophobicContact CG2-CB 4.46Å; S455-A459 WeakPolarHBondContact O-CB 3.35Å; S455-A459 PolarHBondContact O-N 3.21Å; I456-A459 CarbonylContact O-C 3.5Å; I456-A459 PolarHBondContact O-N 3.29Å; I456-A459 VanDerWaalsContact O-N 3.1Å; A459-K461 PolarHBondContact O-N 2.84Å; A459-L462 VanDerWaalsContact O-CB 3.25Å; A459-L462 WeakPolarHBondContact O-CB 3.44Å; A459-L462 PolarHBondContact O-N 2.79Å; A459-M464 HydrophobicContact CB-CE 4.3Å; A459-M464 HydrophobicContact CB-CG 4.25Å; A459-M464 HydrophobicContact CB-SD 3.67Å; A459-I500 HydrophobicContact CB-CD1 3.74Å
460	S	97	Very high	96.7	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.007	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.4	-176.8	70.1	0	0	0	0	114.9	I456 V457 A496 E497 R498	I456-S460 PolarHBondContact O-N 3.35Å; V457-S460 PolarHBondContact O-N 2.66Å; V457-S460 PolarHBondContact O-OG 3.23Å; S460-A496 WeakPolarHBondContact OG-CA 3.29Å; S460-E497 PolarHBondContact OG-N 3.26Å; S460-R498 VanDerWaalsContact O-CZ 3.27Å; S460-R498 PolarHBondContact O-NE 2.97Å; S460-R498 VanDerWaalsContact O-NE 3.15Å; S460-R498 PolarHBondContact O-NH2 3.06Å
461	K	96.1	Very high	96.5	Very high	90 Å²	90	19.5 Å²	19.5	39%	0.391	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-9.2	177	74.9	-162.9	176.6	-171.6	0	114.4	N458 A459 E497 R542	N458-K461 WeakPolarHBondContact O-CD 3.49Å; N458-K461 WeakPolarHBondContact O-CE 3.38Å; N458-K461 WeakPolarHBondContact O-CG 3.27Å; A459-K461 PolarHBondContact O-N 2.84Å; K461-E497 WeakPolarHBondContact CB-OE2 3.41Å; K461-R542 PolarHBondContact O-NH2 2.67Å
462	L	97.9	Very high	96.1	Very high	25 Å²	25	15.5 Å²	15.5	13%	0.131	8%	0.08	C	C	.	.	S	Bend	trans	-99.9	161.2	-173.1	-54.9	-176.5	0	0	0	111.4	A423 A426 A459 M464 R498 Y538	A423-L462 HydrophobicContact CB-CD1 3.82Å; A423-L462 WeakPolarHBondContact O-CD1 3.27Å; A426-L462 HydrophobicContact CB-CB 4.11Å; A426-L462 HydrophobicContact CB-CD1 4.38Å; A459-L462 VanDerWaalsContact O-CB 3.25Å; A459-L462 WeakPolarHBondContact O-CB 3.44Å; A459-L462 PolarHBondContact O-N 2.79Å; L462-M464 HydrophobicContact CB-CG 4.23Å; L462-M464 HydrophobicContact CD1-SD 4.46Å; L462-M464 PolarHBondContact O-N 2.91Å; L462-R498 PolarHBondContact O-NH2 3.21Å; L462-Y538 VanDerWaalsContact C-CE2 3.45Å; L462-Y538 WeakPolarHBondContact O-CD2 3.27Å
463	P	97.6	Very high	95.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.114	C	C	.	.	S	Bend	trans	-74.7	64.2	175.7	31.4	-35.7	0	0	0	111.2	A426 V429 Y435 F436 Y538	A426-P463 HydrophobicContact CB-CG 4.21Å; A426-P463 WeakPolarHBondContact O-CD 3.27Å; A426-P463 WeakPolarHBondContact O-CG 3.41Å; V429-P463 HydrophobicContact CB-CG 4.21Å; V429-P463 HydrophobicContact CG1-CG 4.47Å; Y435-P463 HydrophobicContact CD2-CB 3.84Å; Y435-P463 HydrophobicContact CE2-CB 4.35Å; F436-P463 PolarHBondContact N-O 2.88Å; P463-Y538 HydrophobicContact CB-CD1 4.02Å; P463-Y538 HydrophobicContact CB-CE1 3.55Å; P463-Y538 HydrophobicContact CB-CE2 4.08Å; P463-Y538 HydrophobicContact CB-CG 4.49Å; P463-Y538 HydrophobicContact CG-CE1 4.45Å
464	M	97.5	Very high	95	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	152.5	178	70.2	-179.2	-73.9	0	0	114.5	V422 A423 A426 F436 A459 L462 I466 I500	V422-M464 HydrophobicContact CB-CE 4.08Å; V422-M464 HydrophobicContact CG1-CE 3.92Å; A423-M464 HydrophobicContact CB-SD 3.82Å; A426-M464 HydrophobicContact CB-CB 4.15Å; A426-M464 HydrophobicContact CB-CG 4.42Å; A426-M464 HydrophobicContact CB-SD 4.2Å; F436-M464 HydrophobicContact CB-CB 3.95Å; F436-M464 CarbonylContact O-C 3.48Å; F436-M464 WeakPolarHBondContact O-CA 3.28Å; F436-M464 WeakPolarHBondContact O-CB 3.16Å; A459-M464 HydrophobicContact CB-CE 4.3Å; A459-M464 HydrophobicContact CB-CG 4.25Å; A459-M464 HydrophobicContact CB-SD 3.67Å; L462-M464 HydrophobicContact CB-CG 4.23Å; L462-M464 HydrophobicContact CD1-SD 4.46Å; L462-M464 PolarHBondContact O-N 2.91Å; M464-I466 HydrophobicContact CE-CD1 4.28Å; M464-I466 HydrophobicContact CE-CG1 3.98Å; M464-I500 WeakPolarHBondContact O-CG2 3.39Å
465	S	96.9	Very high	94.4	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.4	168.9	-70.5	0	0	0	0	110.5	Y435 F436 V437 L438 I500 Q534	Y435-S465 PolarHBondContact OH-OG 3.14Å; F436-S465 PolarHBondContact O-N 2.89Å; V437-S465 WeakPolarHBondContact CA-O 3.44Å; L438-S465 PolarHBondContact N-O 3.12Å; S465-I500 CarbonylContact C-O 3.41Å; S465-I500 WeakPolarHBondContact CA-O 3.42Å; S465-Q534 VanDerWaalsContact CB-OE1 3.23Å; S465-Q534 PolarHBondContact OG-OE1 3.37Å
466	I	96.9	Very high	93.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.3	-179.5	-55.7	169.2	0	0	0	107.2	I419 L438 I440 I456 M464 I468 I500 V501 Q502	I419-I466 HydrophobicContact CD1-CD1 4.17Å; I419-I466 HydrophobicContact CG1-CD1 4.11Å; I419-I466 HydrophobicContact CG2-CD1 3.88Å; L438-I466 CarbonylContact O-C 3.55Å; L438-I466 WeakPolarHBondContact O-CA 3.29Å; I440-I466 HydrophobicContact CD1-CG2 4Å; I440-I466 HydrophobicContact CG1-CG2 4.4Å; I456-I466 HydrophobicContact CG1-CD1 4.01Å; M464-I466 HydrophobicContact CE-CD1 4.28Å; M464-I466 HydrophobicContact CE-CG1 3.98Å; I466-I468 HydrophobicContact CG2-CD1 4.5Å; I466-I468 HydrophobicContact CG2-CG1 4.03Å; I466-I500 HydrophobicContact CD1-CD1 3.99Å; I466-I500 HydrophobicContact CG1-CD1 4.46Å; I466-I500 PolarHBondContact N-O 3.38Å; I466-V501 HydrophobicContact CB-CG2 4.37Å; I466-V501 HydrophobicContact CD1-CG2 4.44Å; I466-V501 CarbonylContact O-C 3Å; I466-V501 VanDerWaalsContact O-CA 3.25Å; I466-V501 WeakPolarHBondContact O-CA 3.48Å; I466-Q502 PolarHBondContact O-N 2.93Å
467	I	95.1	Very high	93.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.8	171.8	-67.2	163.8	0	0	0	107.1	V437 L438 L439 I440 V469 Q502 V527 L528 I531	V437-I467 HydrophobicContact CG1-CD1 3.64Å; V437-I467 HydrophobicContact CG1-CG1 4.34Å; L438-I467 PolarHBondContact O-N 2.89Å; L439-I467 CarbonylContact C-O 3.58Å; L439-I467 HydrophobicContact CD1-CB 4.06Å; L439-I467 HydrophobicContact CD1-CG2 3.49Å; L439-I467 VanDerWaalsContact CD1-CG2 3.49Å; I440-I467 PolarHBondContact N-O 2.83Å; I467-V469 HydrophobicContact CG2-CG2 4.07Å; I467-Q502 CarbonylContact C-O 3.52Å; I467-Q502 WeakPolarHBondContact CA-O 3.4Å; I467-V527 HydrophobicContact CB-CG1 4.32Å; I467-V527 HydrophobicContact CD1-CG1 3.72Å; I467-V527 HydrophobicContact CG1-CG1 4.13Å; I467-V527 HydrophobicContact CG2-CB 4.39Å; I467-V527 HydrophobicContact CG2-CG1 3.32Å; I467-V527 HydrophobicContact CG2-CG2 4.34Å; I467-L528 HydrophobicContact CD1-CD2 3.92Å; I467-I531 HydrophobicContact CD1-CD1 3.99Å; I467-I531 HydrophobicContact CD1-CG1 4.23Å; I467-I531 HydrophobicContact CG1-CD1 4.11Å
468	I	94.2	Very high	92.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	115.1	175.2	-53.7	178	0	0	0	108.4	F415 I440 T442 I466 M479 L482 V501 Q502 F503 V504	F415-I468 HydrophobicContact CD2-CD1 4.41Å; F415-I468 HydrophobicContact CE2-CD1 4.24Å; F415-I468 HydrophobicContact CE2-CG2 4.21Å; I440-I468 HydrophobicContact CB-CG1 4.41Å; I440-I468 CarbonylContact O-C 3.56Å; I440-I468 WeakPolarHBondContact O-CA 3.39Å; T442-I468 HydrophobicContact CG2-CG2 4.08Å; I466-I468 HydrophobicContact CG2-CD1 4.5Å; I466-I468 HydrophobicContact CG2-CG1 4.03Å; I468-M479 HydrophobicContact CG2-CG 4.17Å; I468-L482 HydrophobicContact CD1-CD1 4.13Å; I468-V501 HydrophobicContact CD1-CG1 3.88Å; I468-V501 HydrophobicContact CG1-CG1 4.31Å; I468-Q502 PolarHBondContact N-O 3.43Å; I468-F503 HydrophobicContact CB-CD2 4.06Å; I468-F503 HydrophobicContact CG2-CD2 3.92Å; I468-F503 HydrophobicContact CG2-CE2 4.42Å; I468-F503 WeakPolarHBondContact O-CA 3.25Å; I468-F503 VanDerWaalsContact O-CD2 3.3Å; I468-F503 WeakPolarHBondContact O-CD2 3.41Å; I468-V504 PolarHBondContact O-N 3.06Å
469	V	94.3	Very high	92.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	113.1	173.8	-179.7	0	0	0	0	109.4	A343 L439 I440 V441 T442 I467 V471 V504 F506 L523 V527	A343-V469 HydrophobicContact CB-CG1 3.91Å; L439-V469 HydrophobicContact CD1-CB 4.47Å; L439-V469 HydrophobicContact CD1-CG2 3.71Å; I440-V469 PolarHBondContact O-N 2.91Å; V441-V469 WeakPolarHBondContact CA-O 3.49Å; V441-V469 HydrophobicContact CG1-CB 4.47Å; T442-V469 PolarHBondContact N-O 3.01Å; T442-V469 VanDerWaalsContact N-O 3.08Å; I467-V469 HydrophobicContact CG2-CG2 4.07Å; V469-V471 HydrophobicContact CG1-CG1 4.4Å; V469-V504 WeakPolarHBondContact CA-O 3.44Å; V469-F506 HydrophobicContact CG1-CB 3.95Å; V469-L523 HydrophobicContact CG1-CD1 4.18Å; V469-L523 HydrophobicContact CG1-CD2 4.44Å; V469-L523 HydrophobicContact CG2-CD1 4.49Å; V469-V527 HydrophobicContact CG2-CG2 3.93Å
470	G	93.9	Very high	91.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	121.9	176.4	0	0	0	0	0	111.5	T442 F476 V504 F506	T442-G470 CarbonylContact O-C 3.5Å; T442-G470 WeakPolarHBondContact O-CA 3.49Å; G470-F476 VanDerWaalsContact CA-CE1 3.47Å; G470-V504 PolarHBondContact N-O 3.48Å; G470-F506 VanDerWaalsContact O-CB 3.29Å; G470-F506 WeakPolarHBondContact O-CB 3.3Å; G470-F506 PolarHBondContact O-N 3.14Å
471	V	92.4	Very high	91.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.			trans	-111	155.5	177.3	-61.2	0	0	0	0	111.9	L329 A339 Y340 V441 T442 D443 V469 F506	L329-V471 HydrophobicContact CD1-CG2 4.49Å; A339-V471 HydrophobicContact CB-CB 3.88Å; A339-V471 HydrophobicContact CB-CG1 3.88Å; Y340-V471 HydrophobicContact CD2-CG2 3.98Å; Y340-V471 HydrophobicContact CE1-CG2 4.14Å; Y340-V471 HydrophobicContact CE2-CG2 3.41Å; Y340-V471 VanDerWaalsContact CE2-CG2 3.41Å; Y340-V471 VanDerWaalsContact CZ-CG2 3.49Å; V441-V471 HydrophobicContact CG1-CG1 3.85Å; T442-V471 WeakPolarHBondContact O-CG2 3.42Å; T442-V471 PolarHBondContact O-N 3.01Å; D443-V471 VanDerWaalsContact CA-O 3.29Å; D443-V471 WeakPolarHBondContact CA-O 3.28Å; D443-V471 HydrophobicContact CB-CG2 4.25Å; V469-V471 HydrophobicContact CG1-CG1 4.4Å; V471-F506 HydrophobicContact CG1-CB 4.05Å; V471-F506 HydrophobicContact CG1-CD1 4.37Å; V471-F506 HydrophobicContact CG1-CG 4.4Å
472	G	88.6	Confident	91.3	Very high	19 Å²	19	31.9 Å²	31.9	20%	0.196	18%	0.183	C	C	.	.	S	Bend	trans	79.7	-169.1	178.2	0	0	0	0	0	114.4
473	P	85.8	Confident	90.8	Very high	110 Å²	110	31.7 Å²	31.7	71%	0.714	18%	0.182	S	C	*	.	S	Bend	trans	-94	2.5	-166.8	36.6	-36.2	0	0	0	114.8	R507	P473-R507 PolarHBondContact O-NH1 3.03Å; P473-R507 VanDerWaalsContact O-NH1 3.11Å
474	A	85	Confident	89.9	Confident	25 Å²	25	31.8 Å²	31.8	21%	0.207	18%	0.184	C	C	.	.			trans	-61.7	163.6	-176.1	0	0	0	0	0	113.4	D443 F476 R507	D443-A474 WeakPolarHBondContact O-CB 3.33Å; A474-F476 WeakPolarHBondContact O-CD2 3.41Å; A474-F476 WeakPolarHBondContact O-CE2 3.28Å; A474-R507 VanDerWaalsContact O-CZ 3.32Å; A474-R507 PolarHBondContact O-NH1 3.25Å; A474-R507 PolarHBondContact O-NH2 3.15Å
475	E	84.4	Confident	89.1	Confident	136 Å²	136	36.3 Å²	36.3	64%	0.636	21%	0.208	S	C	*	.			trans	-85.5	131.7	171	-63.1	-57.9	161.8	0	0	110	R507	E475-R507 IonicContact OE2-NH2 3.98Å
476	F	87.7	Confident	88.2	Confident	8 Å²	8	43.9 Å²	43.9	4%	0.035	25%	0.248	C	C	.	.			trans	-108.6	21.2	-170	-62.9	-72.1	0	0	0	113.8	G444 G470 A474 A478 M479 V480 F503 P505	G444-F476 VanDerWaalsContact CA-CE1 3.47Å; G470-F476 VanDerWaalsContact CA-CE1 3.47Å; A474-F476 WeakPolarHBondContact O-CD2 3.41Å; A474-F476 WeakPolarHBondContact O-CE2 3.28Å; F476-A478 PolarHBondContact O-N 3.15Å; F476-A478 VanDerWaalsContact O-N 3.12Å; F476-M479 HydrophobicContact CB-CB 4.42Å; F476-M479 HydrophobicContact CB-SD 4.41Å; F476-M479 HydrophobicContact CD1-CE 4.3Å; F476-M479 HydrophobicContact CD1-CG 4.43Å; F476-M479 HydrophobicContact CD1-SD 3.96Å; F476-M479 WeakPolarHBondContact O-CA 3.38Å; F476-M479 PolarHBondContact O-N 3.48Å; F476-V480 PolarHBondContact O-N 3.31Å; F476-F503 HydrophobicContact CB-CE1 3.65Å; F476-F503 HydrophobicContact CB-CE2 4.29Å; F476-F503 HydrophobicContact CB-CZ 3.33Å; F476-F503 HydrophobicContact CD1-CE2 4.11Å; F476-F503 AromaticContact CD1-CZ 3.79Å; F476-F503 HydrophobicContact CD1-CZ 3.79Å; F476-F503 AromaticContact CD2-CZ 3.98Å; F476-F503 HydrophobicContact CD2-CZ 3.98Å; F476-F503 HydrophobicContact CG-CE1 4.24Å; F476-F503 HydrophobicContact CG-CE2 4.24Å; F476-F503 AromaticContact CG-CZ 3.45Å; F476-F503 HydrophobicContact CG-CZ 3.45Å; F476-F503 VanDerWaalsContact CG-CZ 3.45Å; F476-P505 HydrophobicContact CD2-CB 4.08Å; F476-P505 HydrophobicContact CE2-CB 4.25Å
477	D	87.7	Confident	87.7	Confident	125 Å²	125	48.8 Å²	48.8	67%	0.668	28%	0.278	S	S	*	.	H	α-helix	trans	-51.8	-39.4	-179.6	-62.4	-28.5	0	0	0	112.5	M479 V480 E481	D477-M479 VanDerWaalsContact C-N 3.3Å; D477-M479 PolarHBondContact O-N 3.27Å; D477-V480 PolarHBondContact O-N 3.43Å; D477-E481 PolarHBondContact O-N 2.89Å
478	A	86.3	Confident	87.6	Confident	32 Å²	32	53.3 Å²	53.3	26%	0.264	30%	0.296	S	S	.	.	H	α-helix	trans	-59.9	-37.7	175.8	0	0	0	0	0	112.8	M449 F476 L482	M449-A478 HydrophobicContact CE-CB 3.41Å; M449-A478 VanDerWaalsContact CE-CB 3.41Å; M449-A478 VanDerWaalsContact CE-O 3.25Å; M449-A478 WeakPolarHBondContact CE-O 3.36Å; F476-A478 PolarHBondContact O-N 3.15Å; F476-A478 VanDerWaalsContact O-N 3.12Å; A478-L482 WeakPolarHBondContact O-CG 3.37Å; A478-L482 PolarHBondContact O-N 2.72Å
479	M	88.4	Confident	87.5	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-80.2	-35.6	-179.7	-67.3	68.9	174.8	0	0	111.5	F415 T442 I446 I468 F476 D477 E481 L482 D483 F503	F415-M479 HydrophobicContact CE2-CE 4.49Å; F415-M479 HydrophobicContact CZ-CE 4.29Å; T442-M479 HydrophobicContact CG2-CE 4Å; I446-M479 HydrophobicContact CD1-CE 4.01Å; I446-M479 HydrophobicContact CD1-CG 4.31Å; I446-M479 HydrophobicContact CD1-SD 4.2Å; I446-M479 HydrophobicContact CG1-CE 3.57Å; I446-M479 HydrophobicContact CG1-SD 4.2Å; I468-M479 HydrophobicContact CG2-CG 4.17Å; F476-M479 HydrophobicContact CB-CB 4.42Å; F476-M479 HydrophobicContact CB-SD 4.41Å; F476-M479 HydrophobicContact CD1-CE 4.3Å; F476-M479 HydrophobicContact CD1-CG 4.43Å; F476-M479 HydrophobicContact CD1-SD 3.96Å; F476-M479 WeakPolarHBondContact O-CA 3.38Å; F476-M479 PolarHBondContact O-N 3.48Å; D477-M479 VanDerWaalsContact C-N 3.3Å; D477-M479 PolarHBondContact O-N 3.27Å; M479-E481 PolarHBondContact O-N 3.43Å; M479-L482 WeakPolarHBondContact O-CA 3.45Å; M479-L482 WeakPolarHBondContact O-CB 3.46Å; M479-L482 PolarHBondContact O-N 2.8Å; M479-D483 PolarHBondContact O-N 3.3Å; M479-D483 VanDerWaalsContact O-N 3.14Å; M479-F503 HydrophobicContact CB-CB 4.31Å; M479-F503 HydrophobicContact CB-CD1 3.84Å; M479-F503 HydrophobicContact CB-CD2 3.35Å; M479-F503 HydrophobicContact CB-CE1 3.99Å; M479-F503 HydrophobicContact CB-CE2 3.52Å; M479-F503 HydrophobicContact CB-CG 3.53Å; M479-F503 HydrophobicContact CB-CZ 3.87Å; M479-F503 HydrophobicContact CG-CD2 3.89Å; M479-F503 HydrophobicContact CG-CE2 3.8Å; M479-F503 HydrophobicContact CG-CZ 4.4Å
480	V	87.1	Confident	87.5	Confident	80 Å²	80	56 Å²	56	49%	0.485	31%	0.314	S	S	.	.	H	α-helix	trans	-59.5	-37.3	171.1	176.8	0	0	0	0	110.5	F476 D477 L482 D483 F503	F476-V480 PolarHBondContact O-N 3.31Å; D477-V480 PolarHBondContact O-N 3.43Å; V480-L482 PolarHBondContact O-N 3.35Å; V480-D483 WeakPolarHBondContact O-CB 3.38Å; V480-D483 PolarHBondContact O-N 3.35Å; V480-F503 HydrophobicContact CG2-CD1 4.05Å; V480-F503 HydrophobicContact CG2-CE1 4.09Å
481	E	89	Confident	87.6	Confident	107 Å²	107	56.9 Å²	56.9	50%	0.5	32%	0.32	S	S	.	.	H	α-helix	trans	-64.1	-28.8	173.1	-169.7	-177.2	-172.8	0	0	113.1	K453 D477 M479	K453-E481 IonicContact NZ-OE1 3.66Å; K453-E481 PolarHBondContact NZ-OE1 3.16Å; K453-E481 IonicContact NZ-OE2 2.71Å; K453-E481 PolarHBondContact NZ-OE2 3.08Å; D477-E481 PolarHBondContact O-N 2.89Å; M479-E481 PolarHBondContact O-N 3.43Å
482	L	90.6	Very high	87.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-81.7	-23.7	179.2	-65.6	-176.7	0	0	0	113.5	I446 M449 T452 K453 I456 I468 A478 M479 V480 G484 V489 V501	I446-L482 HydrophobicContact CD1-CD1 3.45Å; I446-L482 VanDerWaalsContact CD1-CD1 3.45Å; M449-L482 HydrophobicContact CE-CG 4.39Å; M449-L482 HydrophobicContact SD-CD1 4.43Å; M449-L482 HydrophobicContact SD-CD2 3.79Å; M449-L482 HydrophobicContact SD-CG 4.22Å; T452-L482 HydrophobicContact CG2-CD1 3.78Å; T452-L482 HydrophobicContact CG2-CD2 4.48Å; K453-L482 HydrophobicContact CG-CD2 3.81Å; I456-L482 HydrophobicContact CD1-CB 4.38Å; I456-L482 HydrophobicContact CD1-CD1 4.09Å; I456-L482 HydrophobicContact CD1-CD2 3.71Å; I456-L482 HydrophobicContact CD1-CG 4.28Å; I468-L482 HydrophobicContact CD1-CD1 4.13Å; A478-L482 WeakPolarHBondContact O-CG 3.37Å; A478-L482 PolarHBondContact O-N 2.72Å; M479-L482 WeakPolarHBondContact O-CA 3.45Å; M479-L482 WeakPolarHBondContact O-CB 3.46Å; M479-L482 PolarHBondContact O-N 2.8Å; V480-L482 PolarHBondContact O-N 3.35Å; L482-G484 PolarHBondContact O-N 2.73Å; L482-V489 VanDerWaalsContact O-CG2 3.26Å; L482-V489 WeakPolarHBondContact O-CG2 3.41Å; L482-V501 HydrophobicContact CB-CG1 4.19Å; L482-V501 VanDerWaalsContact O-CB 3.23Å; L482-V501 WeakPolarHBondContact O-CB 3.26Å
483	D	87	Confident	87.7	Confident	21 Å²	21	69 Å²	69	11%	0.112	38%	0.382	C	S	.	.	H	α-helix	trans	-58.8	-27.9	-175.6	-149.9	17.9	0	0	0	113	M479 V480 D485 Q502 F503	M479-D483 PolarHBondContact O-N 3.3Å; M479-D483 VanDerWaalsContact O-N 3.14Å; V480-D483 WeakPolarHBondContact O-CB 3.38Å; V480-D483 PolarHBondContact O-N 3.35Å; D483-D485 PolarHBondContact O-N 2.66Å; D483-D485 VanDerWaalsContact O-N 3.1Å; D483-Q502 VanDerWaalsContact OD1-CA 3.24Å; D483-Q502 WeakPolarHBondContact OD1-CA 3.39Å; D483-F503 HydrophobicContact CB-CB 4.23Å; D483-F503 PolarHBondContact OD1-N 3.09Å
484	G	79.4	Confident	88.1	Confident	4 Å²	4	70.9 Å²	70.9	4%	0.041	38%	0.379	C	S	.	.			trans	78.3	-9.8	168.5	0	0	0	0	0	116.2	L482 V487	L482-G484 PolarHBondContact O-N 2.73Å; G484-V487 CarbonylContact O-C 3.58Å
485	D	79.7	Confident	88.6	Confident	94 Å²	94	77 Å²	77	50%	0.503	40%	0.398	S	S	.	.	S	Bend	trans	-54.6	-54.6	178.6	-82.5	-11.1	0	0	0	113.7	D483	D483-D485 PolarHBondContact O-N 2.66Å; D483-D485 VanDerWaalsContact O-N 3.1Å
486	D	79.4	Confident	89.2	Confident	159 Å²	159	71 Å²	71	85%	0.85	37%	0.371	S	S	*	.	S	Bend	trans	-80.2	-44.4	-179.5	-74.3	-38.5	0	0	0	111.7
487	V	85.7	Confident	89.5	Confident	104 Å²	104	76.2 Å²	76.2	63%	0.63	40%	0.396	S	S	*	.	S	Bend	trans	-138.1	115.9	-174.3	-176.8	0	0	0	0	109.7	G484 V489	G484-V487 CarbonylContact O-C 3.58Å; V487-V489 PolarHBondContact O-N 2.79Å
488	R	92.1	Very high	89.8	Confident	95 Å²	95	71 Å²	71	36%	0.358	37%	0.367	S	S	.	.			trans	-52.1	123.6	175.8	-169.3	65.6	58.2	-143.8	-2.9	110.7	S490 Y495 A496 D499	R488-S490 PolarHBondContact O-N 3.4Å; R488-Y495 HydrophobicContact CB-CD1 4.26Å; R488-Y495 HydrophobicContact CG-CD1 4.49Å; R488-A496 HydrophobicContact CG-CB 4.18Å; R488-A496 WeakPolarHBondContact CG-O 3.4Å; R488-D499 IonicContact CZ-OD2 3.83Å; R488-D499 VanDerWaalsContact NH1-N 3.12Å; R488-D499 IonicContact NH1-OD1 3.77Å; R488-D499 IonicContact NH1-OD2 2.76Å; R488-D499 PolarHBondContact NH1-OD2 2.86Å
489	V	93.8	Very high	90.2	Very high	8 Å²	8	70.7 Å²	70.7	5%	0.048	36%	0.36	C	S	.	.			trans	-53	135.2	178.9	-179.2	0	0	0	0	110.7	K453 I456 V457 L482 V487 A496	K453-V489 HydrophobicContact CB-CG1 4.16Å; K453-V489 HydrophobicContact CG-CG1 3.97Å; I456-V489 HydrophobicContact CB-CG1 4.41Å; I456-V489 HydrophobicContact CG2-CB 4.22Å; I456-V489 HydrophobicContact CG2-CG1 4.06Å; I456-V489 HydrophobicContact CG2-CG2 4.39Å; V457-V489 HydrophobicContact CG2-CG1 4.26Å; L482-V489 VanDerWaalsContact O-CG2 3.26Å; L482-V489 WeakPolarHBondContact O-CG2 3.41Å; V487-V489 PolarHBondContact O-N 2.79Å; V489-A496 PolarHBondContact O-N 2.98Å
490	S	94.5	Very high	90.5	Very high	48 Å²	48	70.8 Å²	70.8	34%	0.336	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	151.7	179	70.4	0	0	0	0	112.6	R488 K494	R488-S490 PolarHBondContact O-N 3.4Å; S490-K494 CarbonylContact C-O 3.6Å; S490-K494 WeakPolarHBondContact CA-O 3.28Å; S490-K494 WeakPolarHBondContact CB-O 3.12Å
491	S	95.5	Very high	90.9	Very high	20 Å²	20	67 Å²	67	14%	0.14	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	131.3	174.9	-175.5	0	0	0	0	109.7	G493 K494	S491-G493 PolarHBondContact O-N 2.95Å; S491-G493 VanDerWaalsContact O-N 3.16Å; S491-K494 PolarHBondContact N-O 2.99Å; S491-K494 PolarHBondContact O-N 3.03Å
492	R	92.8	Very high	91.1	Very high	203 Å²	203	62.7 Å²	62.7	77%	0.766	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	41.8	-179.9	-57.4	-175.4	-175.3	138.5	17.3	113.7	E454 K494	E454-R492 IonicContact OE1-CZ 2.56Å; E454-R492 IonicContact OE1-NH1 3.87Å; E454-R492 PolarHBondContact OE1-NH1 2.79Å; E454-R492 IonicContact OE1-NH2 2.65Å; E454-R492 IonicContact OE2-CZ 2.78Å; E454-R492 IonicContact OE2-NH1 3.74Å; E454-R492 PolarHBondContact OE2-NH1 3.05Å; E454-R492 IonicContact OE2-NH2 3.78Å; E454-R492 PolarHBondContact OE2-NH2 3.07Å; R492-K494 VanDerWaalsContact C-N 3.29Å; R492-K494 PolarHBondContact O-N 2.89Å
493	G	90.3	Very high	91.1	Very high	70 Å²	70	63.3 Å²	63.3	72%	0.722	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	6.9	178.4	0	0	0	0	0	115.4	S491	S491-G493 PolarHBondContact O-N 2.95Å; S491-G493 VanDerWaalsContact O-N 3.16Å
494	K	94.1	Very high	91.3	Very high	150 Å²	150	62.4 Å²	62.4	65%	0.652	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.5	133.2	171.9	-64.6	-177.4	-179.9	179.6	0	110	V457 S490 S491 R492	V457-K494 HydrophobicContact CG1-CB 4.19Å; S490-K494 CarbonylContact C-O 3.6Å; S490-K494 WeakPolarHBondContact CA-O 3.28Å; S490-K494 WeakPolarHBondContact CB-O 3.12Å; S491-K494 PolarHBondContact N-O 2.99Å; S491-K494 PolarHBondContact O-N 3.03Å; R492-K494 VanDerWaalsContact C-N 3.29Å; R492-K494 PolarHBondContact O-N 2.89Å
495	Y	95.8	Very high	91.9	Very high	153 Å²	153	63.2 Å²	63.2	60%	0.6	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	149.7	175.3	-68.1	-92.1	0	0	0	110.5	R488	R488-Y495 HydrophobicContact CB-CD1 4.26Å; R488-Y495 HydrophobicContact CG-CD1 4.49Å
496	A	95.9	Very high	92.3	Very high	9 Å²	9	58.8 Å²	58.8	7%	0.074	30%	0.297	C	S	.	.			trans	-59.6	139.3	169.2	0	0	0	0	0	110.8	V457 S460 R488 V489 R498	V457-A496 HydrophobicContact CG2-CB 4.38Å; S460-A496 WeakPolarHBondContact OG-CA 3.29Å; R488-A496 HydrophobicContact CG-CB 4.18Å; R488-A496 WeakPolarHBondContact CG-O 3.4Å; V489-A496 PolarHBondContact O-N 2.98Å; A496-R498 VanDerWaalsContact C-N 3.27Å; A496-R498 PolarHBondContact O-N 3.23Å
497	E	94.6	Very high	92.5	Very high	119 Å²	119	55.6 Å²	55.6	56%	0.556	27%	0.273	S	S	*	.	S	Bend	trans	-66.8	-29.6	-179.4	-74.3	-176.1	-168.8	0	0	112.2	S460 K461 R542	S460-E497 PolarHBondContact OG-N 3.26Å; K461-E497 WeakPolarHBondContact CB-OE2 3.41Å; E497-R542 IonicContact OE2-CZ 3.35Å; E497-R542 IonicContact OE2-NH2 3.82Å; E497-R542 PolarHBondContact OE2-NH2 3.28Å
498	R	94.2	Very high	92.4	Very high	16 Å²	16	55.9 Å²	55.9	6%	0.06	27%	0.271	C	S	.	.	S	Bend	trans	-148.7	165.7	-176.5	-62.5	-179.7	-60.6	102.3	4	109.6	S460 L462 A496 Q534 S537	S460-R498 VanDerWaalsContact O-CZ 3.27Å; S460-R498 PolarHBondContact O-NE 2.97Å; S460-R498 VanDerWaalsContact O-NE 3.15Å; S460-R498 PolarHBondContact O-NH2 3.06Å; L462-R498 PolarHBondContact O-NH2 3.21Å; A496-R498 VanDerWaalsContact C-N 3.27Å; A496-R498 PolarHBondContact O-N 3.23Å; R498-Q534 PolarHBondContact NH1-O 3.04Å; R498-Q534 VanDerWaalsContact NH1-O 3.1Å; R498-S537 WeakPolarHBondContact CD-OG 3.24Å
499	D	93.6	Very high	91.8	Very high	25 Å²	25	53.1 Å²	53.1	13%	0.134	26%	0.261	C	S	.	.			trans	-72.6	137.8	160.6	-137.3	-32.1	0	0	0	111.1	R488 V501	R488-D499 IonicContact CZ-OD2 3.83Å; R488-D499 VanDerWaalsContact NH1-N 3.12Å; R488-D499 IonicContact NH1-OD1 3.77Å; R488-D499 IonicContact NH1-OD2 2.76Å; R488-D499 PolarHBondContact NH1-OD2 2.86Å; D499-V501 PolarHBondContact OD1-N 3.39Å
500	I	95.5	Very high	90.8	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.278	C	S	.	.			trans	-145	2.6	177.3	63.6	155.4	0	0	0	112.2	I456 A459 M464 S465 I466	I456-I500 HydrophobicContact CG2-CD1 4.22Å; I456-I500 HydrophobicContact CG2-CG1 4.15Å; A459-I500 HydrophobicContact CB-CD1 3.74Å; M464-I500 WeakPolarHBondContact O-CG2 3.39Å; S465-I500 CarbonylContact C-O 3.41Å; S465-I500 WeakPolarHBondContact CA-O 3.42Å; I466-I500 HydrophobicContact CD1-CD1 3.99Å; I466-I500 HydrophobicContact CG1-CD1 4.46Å; I466-I500 PolarHBondContact N-O 3.38Å
501	V	95.3	Very high	89.4	Confident	1 Å²	1	57 Å²	57	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136.3	-179.9	-178.1	0	0	0	0	107.7	I456 I466 I468 L482 D499	I456-V501 HydrophobicContact CD1-CG2 3.9Å; I456-V501 HydrophobicContact CG1-CG2 4.11Å; I456-V501 HydrophobicContact CG2-CG2 3.9Å; I466-V501 HydrophobicContact CB-CG2 4.37Å; I466-V501 HydrophobicContact CD1-CG2 4.44Å; I466-V501 CarbonylContact O-C 3Å; I466-V501 VanDerWaalsContact O-CA 3.25Å; I466-V501 WeakPolarHBondContact O-CA 3.48Å; I468-V501 HydrophobicContact CD1-CG1 3.88Å; I468-V501 HydrophobicContact CG1-CG1 4.31Å; L482-V501 HydrophobicContact CB-CG1 4.19Å; L482-V501 VanDerWaalsContact O-CB 3.23Å; L482-V501 WeakPolarHBondContact O-CB 3.26Å; D499-V501 PolarHBondContact OD1-N 3.39Å
502	Q	92.9	Very high	87.7	Confident	17 Å²	17	68.2 Å²	68.2	8%	0.079	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.9	164	178.8	62.9	48	0	0	107.9	I466 I467 I468 D483 V504 E530	I466-Q502 PolarHBondContact O-N 2.93Å; I467-Q502 CarbonylContact C-O 3.52Å; I467-Q502 WeakPolarHBondContact CA-O 3.4Å; I468-Q502 PolarHBondContact N-O 3.43Å; D483-Q502 VanDerWaalsContact OD1-CA 3.24Å; D483-Q502 WeakPolarHBondContact OD1-CA 3.39Å; Q502-V504 HydrophobicContact CG-CG2 4.04Å; Q502-E530 PolarHBondContact OE1-OE1 3.45Å; Q502-E530 PolarHBondContact OE1-OE2 2.72Å
503	F	91.9	Very high	86.2	Confident	12 Å²	12	62.4 Å²	62.4	5%	0.053	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.6	172.4	173.5	-113.1	0	0	0	111.4	I468 F476 M479 V480 D483 P505	I468-F503 HydrophobicContact CB-CD2 4.06Å; I468-F503 HydrophobicContact CG2-CD2 3.92Å; I468-F503 HydrophobicContact CG2-CE2 4.42Å; I468-F503 WeakPolarHBondContact O-CA 3.25Å; I468-F503 VanDerWaalsContact O-CD2 3.3Å; I468-F503 WeakPolarHBondContact O-CD2 3.41Å; F476-F503 HydrophobicContact CB-CE1 3.65Å; F476-F503 HydrophobicContact CB-CE2 4.29Å; F476-F503 HydrophobicContact CB-CZ 3.33Å; F476-F503 HydrophobicContact CD1-CE2 4.11Å; F476-F503 AromaticContact CD1-CZ 3.79Å; F476-F503 HydrophobicContact CD1-CZ 3.79Å; F476-F503 AromaticContact CD2-CZ 3.98Å; F476-F503 HydrophobicContact CD2-CZ 3.98Å; F476-F503 HydrophobicContact CG-CE1 4.24Å; F476-F503 HydrophobicContact CG-CE2 4.24Å; F476-F503 AromaticContact CG-CZ 3.45Å; F476-F503 HydrophobicContact CG-CZ 3.45Å; F476-F503 VanDerWaalsContact CG-CZ 3.45Å; M479-F503 HydrophobicContact CB-CB 4.31Å; M479-F503 HydrophobicContact CB-CD1 3.84Å; M479-F503 HydrophobicContact CB-CD2 3.35Å; M479-F503 HydrophobicContact CB-CE1 3.99Å; M479-F503 HydrophobicContact CB-CE2 3.52Å; M479-F503 HydrophobicContact CB-CG 3.53Å; M479-F503 HydrophobicContact CB-CZ 3.87Å; M479-F503 HydrophobicContact CG-CD2 3.89Å; M479-F503 HydrophobicContact CG-CE2 3.8Å; M479-F503 HydrophobicContact CG-CZ 4.4Å; V480-F503 HydrophobicContact CG2-CD1 4.05Å; V480-F503 HydrophobicContact CG2-CE1 4.09Å; D483-F503 HydrophobicContact CB-CB 4.23Å; D483-F503 PolarHBondContact OD1-N 3.09Å; F503-P505 HydrophobicContact CE1-CB 4.27Å; F503-P505 HydrophobicContact CE1-CG 4.27Å; F503-P505 HydrophobicContact CZ-CB 3.96Å; F503-P505 HydrophobicContact CZ-CG 4.43Å
504	V	90.6	Very high	84.8	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	119.1	175.2	-175.8	0	0	0	0	111	I468 V469 G470 Q502 F506 Y509 L523 V527	I468-V504 PolarHBondContact O-N 3.06Å; V469-V504 WeakPolarHBondContact CA-O 3.44Å; G470-V504 PolarHBondContact N-O 3.48Å; Q502-V504 HydrophobicContact CG-CG2 4.04Å; V504-F506 PolarHBondContact O-N 3.32Å; V504-Y509 HydrophobicContact CG1-CD2 4.12Å; V504-Y509 HydrophobicContact CG1-CE2 3.2Å; V504-L523 HydrophobicContact CB-CD1 4.31Å; V504-L523 HydrophobicContact CG1-CD1 3.65Å; V504-V527 HydrophobicContact CB-CG2 3.71Å; V504-V527 HydrophobicContact CG1-CG2 4.12Å; V504-V527 HydrophobicContact CG2-CB 4.4Å; V504-V527 HydrophobicContact CG2-CG2 3.56Å
505	P	90.9	Very high	83.7	Confident	22 Å²	22	56.7 Å²	56.7	14%	0.143	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	113.1	172	30.7	-33.9	0	0	0	110.5	F476 F503 R507 D508 Y509	F476-P505 HydrophobicContact CD2-CB 4.08Å; F476-P505 HydrophobicContact CE2-CB 4.25Å; F503-P505 HydrophobicContact CE1-CB 4.27Å; F503-P505 HydrophobicContact CE1-CG 4.27Å; F503-P505 HydrophobicContact CZ-CB 3.96Å; F503-P505 HydrophobicContact CZ-CG 4.43Å; P505-R507 HydrophobicContact CB-CG 4.36Å; P505-R507 PolarHBondContact O-N 3.43Å; P505-R507 VanDerWaalsContact O-N 3.1Å; P505-D508 HydrophobicContact CG-CB 4.44Å; P505-D508 WeakPolarHBondContact CG-OD2 3.26Å; P505-D508 PolarHBondContact O-N 2.88Å; P505-Y509 WeakPolarHBondContact O-CD2 3.49Å; P505-Y509 WeakPolarHBondContact O-CE2 3.25Å
506	F	88.2	Confident	82.7	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-58.2	-30.8	-176.9	-175.2	-115.5	0	0	0	113.4	A339 M342 V469 G470 V471 V504 D508 Y509 I510 L523	A339-F506 HydrophobicContact CB-CD1 4.03Å; A339-F506 HydrophobicContact CB-CE1 4.1Å; M342-F506 HydrophobicContact CB-CE1 4.29Å; M342-F506 HydrophobicContact CB-CE2 4.39Å; M342-F506 HydrophobicContact CB-CZ 3.64Å; M342-F506 HydrophobicContact CE-CE1 3.79Å; M342-F506 HydrophobicContact CE-CZ 4.02Å; M342-F506 HydrophobicContact SD-CZ 4.16Å; V469-F506 HydrophobicContact CG1-CB 3.95Å; G470-F506 VanDerWaalsContact O-CB 3.29Å; G470-F506 WeakPolarHBondContact O-CB 3.3Å; G470-F506 PolarHBondContact O-N 3.14Å; V471-F506 HydrophobicContact CG1-CB 4.05Å; V471-F506 HydrophobicContact CG1-CD1 4.37Å; V471-F506 HydrophobicContact CG1-CG 4.4Å; V504-F506 PolarHBondContact O-N 3.32Å; F506-D508 PolarHBondContact O-N 2.89Å; F506-D508 VanDerWaalsContact O-N 3.16Å; F506-Y509 PolarHBondContact O-N 3.31Å; F506-Y509 VanDerWaalsContact O-N 3.12Å; F506-I510 HydrophobicContact CD1-CD1 3.74Å; F506-I510 HydrophobicContact CD1-CG1 3.98Å; F506-I510 HydrophobicContact CE1-CD1 3.63Å; F506-I510 HydrophobicContact CE1-CG1 3.69Å; F506-I510 HydrophobicContact CZ-CG1 4.22Å; F506-L523 HydrophobicContact CD2-CB 4.26Å; F506-L523 HydrophobicContact CD2-CD1 3.9Å; F506-L523 HydrophobicContact CD2-CD2 3.37Å; F506-L523 HydrophobicContact CD2-CG 3.99Å; F506-L523 HydrophobicContact CE2-CB 4.29Å; F506-L523 HydrophobicContact CE2-CD2 3.52Å; F506-L523 HydrophobicContact CE2-CG 4.33Å
507	R	85.2	Confident	81.8	Confident	91 Å²	91	55.9 Å²	55.9	34%	0.343	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-59.3	-25.5	-179.3	67.1	-177.6	172.1	-164.1	-2.2	113.8	P473 A474 E475 P505 Y509	P473-R507 PolarHBondContact O-NH1 3.03Å; P473-R507 VanDerWaalsContact O-NH1 3.11Å; A474-R507 VanDerWaalsContact O-CZ 3.32Å; A474-R507 PolarHBondContact O-NH1 3.25Å; A474-R507 PolarHBondContact O-NH2 3.15Å; E475-R507 IonicContact OE2-NH2 3.98Å; P505-R507 HydrophobicContact CB-CG 4.36Å; P505-R507 PolarHBondContact O-N 3.43Å; P505-R507 VanDerWaalsContact O-N 3.1Å; R507-Y509 PolarHBondContact O-N 2.84Å
508	D	83.6	Confident	81.1	Confident	111 Å²	111	52.8 Å²	52.8	59%	0.594	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-73.4	-14.4	-177.9	-66.6	-0.6	0	0	0	112.1	P505 F506	P505-D508 HydrophobicContact CG-CB 4.44Å; P505-D508 WeakPolarHBondContact CG-OD2 3.26Å; P505-D508 PolarHBondContact O-N 2.88Å; F506-D508 PolarHBondContact O-N 2.89Å; F506-D508 VanDerWaalsContact O-N 3.16Å
509	Y	79.5	Confident	80.4	Confident	37 Å²	37	52.2 Å²	52.2	15%	0.145	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-108.6	-11.3	-176.4	-53.6	-78.7	0	0	0	113.7	V504 P505 F506 R507 D511 S519 R522 L523 D526	V504-Y509 HydrophobicContact CG1-CD2 4.12Å; V504-Y509 HydrophobicContact CG1-CE2 3.2Å; P505-Y509 WeakPolarHBondContact O-CD2 3.49Å; P505-Y509 WeakPolarHBondContact O-CE2 3.25Å; F506-Y509 PolarHBondContact O-N 3.31Å; F506-Y509 VanDerWaalsContact O-N 3.12Å; R507-Y509 PolarHBondContact O-N 2.84Å; Y509-D511 PolarHBondContact O-N 3.24Å; Y509-D511 VanDerWaalsContact O-N 3.1Å; Y509-S519 VanDerWaalsContact O-CA 3.3Å; Y509-S519 WeakPolarHBondContact O-CA 3.17Å; Y509-S519 WeakPolarHBondContact O-CB 3.33Å; Y509-S519 PolarHBondContact O-OG 2.83Å; Y509-S519 VanDerWaalsContact O-OG 3.04Å; Y509-R522 HydrophobicContact CD1-CB 3.55Å; Y509-R522 HydrophobicContact CE1-CB 4.25Å; Y509-R522 HydrophobicContact CG-CB 4.4Å; Y509-L523 HydrophobicContact CD2-CB 4.43Å; Y509-L523 HydrophobicContact CD2-CD1 4.15Å; Y509-L523 HydrophobicContact CE2-CD1 4.41Å; Y509-L523 HydrophobicContact CG-CB 4.36Å; Y509-D526 HydrophobicContact CE1-CB 4.46Å; Y509-D526 WeakPolarHBondContact CE1-OD2 3.02Å; Y509-D526 PolarHBondContact OH-OD2 3.07Å
510	I	71.8	Confident	79.9	Confident	80 Å²	80	52.2 Å²	52.2	41%	0.41	27%	0.266	S	S	.	.			trans	-72.2	105.9	178.9	-58.5	177.5	0	0	0	108.9	F506	F506-I510 HydrophobicContact CD1-CD1 3.74Å; F506-I510 HydrophobicContact CD1-CG1 3.98Å; F506-I510 HydrophobicContact CE1-CD1 3.63Å; F506-I510 HydrophobicContact CE1-CG1 3.69Å; F506-I510 HydrophobicContact CZ-CG1 4.22Å
511	D	65.2	Low	79.2	Confident	57 Å²	57	53.6 Å²	53.6	31%	0.305	28%	0.278	S	S	.	.			trans	-70.2	132.5	175	-169.9	-4.2	0	0	0	111.1	Y509 S513 G514 S519	Y509-D511 PolarHBondContact O-N 3.24Å; Y509-D511 VanDerWaalsContact O-N 3.1Å; D511-S513 PolarHBondContact O-N 3.11Å; D511-S513 VanDerWaalsContact O-N 3.14Å; D511-S513 PolarHBondContact OD1-N 2.82Å; D511-S513 PolarHBondContact OD1-OG 2.83Å; D511-S513 WeakPolarHBondContact OD2-CB 3.22Å; D511-S513 PolarHBondContact OD2-OG 2.93Å; D511-G514 PolarHBondContact O-N 2.95Å; D511-G514 VanDerWaalsContact O-N 3.12Å; D511-S519 PolarHBondContact N-OG 2.65Å
512	R	59.4	Low	78.7	Confident	255 Å²	255	59.7 Å²	59.7	96%	0.962	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-15.7	173.3	-63.7	-176.9	-179	-179.4	1.5	112.5	G514	R512-G514 VanDerWaalsContact C-N 3.3Å
513	S	62.1	Low	78.4	Confident	82 Å²	82	58.9 Å²	58.9	57%	0.573	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-13	175.1	80.3	0	0	0	0	114.4	D511 N515	D511-S513 PolarHBondContact O-N 3.11Å; D511-S513 VanDerWaalsContact O-N 3.14Å; D511-S513 PolarHBondContact OD1-N 2.82Å; D511-S513 PolarHBondContact OD1-OG 2.83Å; D511-S513 WeakPolarHBondContact OD2-CB 3.22Å; D511-S513 PolarHBondContact OD2-OG 2.93Å; S513-N515 PolarHBondContact OG-N 3.38Å
514	G	61.1	Low	78.1	Confident	42 Å²	42	58.3 Å²	58.3	43%	0.433	30%	0.295	S	S	.	.			trans	79.6	10.6	-178.5	0	0	0	0	0	114.9	D511 R512 H516	D511-G514 PolarHBondContact O-N 2.95Å; D511-G514 VanDerWaalsContact O-N 3.12Å; R512-G514 VanDerWaalsContact C-N 3.3Å; G514-H516 PolarHBondContact O-CD2 2.94Å; G514-H516 VanDerWaalsContact O-CD2 3.25Å; G514-H516 PolarHBondContact O-N 3.31Å
515	N	70.7	Confident	77.8	Confident	58 Å²	58	60.5 Å²	60.5	31%	0.31	30%	0.304	S	S	.	.			trans	-79.9	82.8	173.3	-166.3	-14.9	0	0	0	111.4	S513 V517 L518 S519	S513-N515 PolarHBondContact OG-N 3.38Å; N515-V517 PolarHBondContact O-N 2.91Å; N515-V517 PolarHBondContact OD1-N 3.23Å; N515-L518 VanDerWaalsContact ND2-CD1 3.32Å; N515-L518 WeakPolarHBondContact ND2-CD1 3.41Å; N515-L518 PolarHBondContact O-N 3.24Å; N515-S519 PolarHBondContact O-N 2.85Å; N515-S519 PolarHBondContact O-OG 2.63Å
516	H	75.1	Confident	77.6	Confident	63 Å²	63	62.6 Å²	62.6	29%	0.292	31%	0.314	S	S	.	.	H	α-helix	trans	-59.3	-28.6	-179.1	-61.3	-71.3	0	0	0	113.6	M342 G514 S519 M520	M342-H516 HydrophobicContact SD-CB 4.33Å; M342-H516 PolarHBondContact SD-ND1 3.29Å; M342-H516 VanDerWaalsContact SD-ND1 3.44Å; G514-H516 PolarHBondContact O-CD2 2.94Å; G514-H516 VanDerWaalsContact O-CD2 3.25Å; G514-H516 PolarHBondContact O-N 3.31Å; H516-S519 WeakPolarHBondContact O-CB 3.36Å; H516-S519 PolarHBondContact O-N 3.33Å; H516-M520 WeakPolarHBondContact O-CB 3.49Å; H516-M520 VanDerWaalsContact O-CG 3.29Å; H516-M520 WeakPolarHBondContact O-CG 3.45Å; H516-M520 PolarHBondContact O-N 2.89Å
517	V	77.1	Confident	77.4	Confident	82 Å²	82	62.6 Å²	62.6	50%	0.497	31%	0.314	S	S	.	.	H	α-helix	trans	-67.8	-46.1	-177.5	-178.8	0	0	0	0	111.4	N515 S519 M520 A521	N515-V517 PolarHBondContact O-N 2.91Å; N515-V517 PolarHBondContact OD1-N 3.23Å; V517-S519 VanDerWaalsContact C-N 3.3Å; V517-S519 PolarHBondContact O-N 3.06Å; V517-M520 PolarHBondContact O-N 2.98Å; V517-A521 PolarHBondContact O-N 2.76Å; V517-A521 VanDerWaalsContact O-N 3.11Å
518	L	78.3	Confident	77.6	Confident	54 Å²	54	58.3 Å²	58.3	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-67.2	-35.5	176.2	-69.6	175.8	0	0	0	111.6	V55 N515 A521 R522	V55-L518 HydrophobicContact CG1-CD2 4.35Å; N515-L518 VanDerWaalsContact ND2-CD1 3.32Å; N515-L518 WeakPolarHBondContact ND2-CD1 3.41Å; N515-L518 PolarHBondContact O-N 3.24Å; L518-A521 PolarHBondContact O-N 3.04Å; L518-R522 WeakPolarHBondContact O-CG 3.18Å; L518-R522 PolarHBondContact O-N 3.36Å; L518-R522 VanDerWaalsContact O-N 3.1Å
519	S	80.2	Confident	77.5	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-62.3	-47.3	176.9	-53.5	0	0	0	0	111.1	Y509 D511 N515 H516 V517 A521 R522 L523	Y509-S519 VanDerWaalsContact O-CA 3.3Å; Y509-S519 WeakPolarHBondContact O-CA 3.17Å; Y509-S519 WeakPolarHBondContact O-CB 3.33Å; Y509-S519 PolarHBondContact O-OG 2.83Å; Y509-S519 VanDerWaalsContact O-OG 3.04Å; D511-S519 PolarHBondContact N-OG 2.65Å; N515-S519 PolarHBondContact O-N 2.85Å; N515-S519 PolarHBondContact O-OG 2.63Å; H516-S519 WeakPolarHBondContact O-CB 3.36Å; H516-S519 PolarHBondContact O-N 3.33Å; V517-S519 VanDerWaalsContact C-N 3.3Å; V517-S519 PolarHBondContact O-N 3.06Å; S519-A521 PolarHBondContact O-N 2.8Å; S519-R522 PolarHBondContact O-N 2.87Å; S519-L523 PolarHBondContact O-N 2.97Å; S519-L523 VanDerWaalsContact O-N 3.08Å
520	M	83.1	Confident	77.9	Confident	25 Å²	25	56.2 Å²	56.2	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-43.2	176.5	-76	172.4	45.6	0	0	112.4	M342 K345 A346 H516 V517 L523 A524	M342-M520 HydrophobicContact CB-CG 4.42Å; K345-M520 HydrophobicContact CB-CE 4.1Å; K345-M520 HydrophobicContact CD-CE 4.17Å; K345-M520 HydrophobicContact CG-CE 3.81Å; A346-M520 HydrophobicContact CB-CB 3.76Å; A346-M520 HydrophobicContact CB-CE 4.32Å; A346-M520 HydrophobicContact CB-CG 4.01Å; A346-M520 WeakPolarHBondContact CB-O 3.32Å; H516-M520 WeakPolarHBondContact O-CB 3.49Å; H516-M520 VanDerWaalsContact O-CG 3.29Å; H516-M520 WeakPolarHBondContact O-CG 3.45Å; H516-M520 PolarHBondContact O-N 2.89Å; V517-M520 PolarHBondContact O-N 2.98Å; M520-L523 WeakPolarHBondContact O-CB 3.35Å; M520-L523 PolarHBondContact O-N 2.83Å; M520-A524 PolarHBondContact O-N 2.88Å
521	A	82	Confident	78.8	Confident	30 Å²	30	52.5 Å²	52.5	25%	0.248	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-37.6	-178.2	0	0	0	0	0	113.1	V55 V517 L518 S519 A524 K525	V55-A521 HydrophobicContact CB-CB 4.41Å; V55-A521 HydrophobicContact CG1-CB 3.13Å; V517-A521 PolarHBondContact O-N 2.76Å; V517-A521 VanDerWaalsContact O-N 3.11Å; L518-A521 PolarHBondContact O-N 3.04Å; S519-A521 PolarHBondContact O-N 2.8Å; A521-A524 PolarHBondContact O-N 2.78Å; A521-K525 WeakPolarHBondContact O-CB 3.29Å; A521-K525 PolarHBondContact O-N 3.48Å
522	R	83.9	Confident	80.1	Confident	129 Å²	129	51 Å²	51	49%	0.487	27%	0.269	S	S	.	.	H	α-helix	trans	-66.6	-40.6	173.7	-66.3	174.6	-177	169.6	1.6	111.9	Y509 L518 S519 A524 K525 D526	Y509-R522 HydrophobicContact CD1-CB 3.55Å; Y509-R522 HydrophobicContact CE1-CB 4.25Å; Y509-R522 HydrophobicContact CG-CB 4.4Å; L518-R522 WeakPolarHBondContact O-CG 3.18Å; L518-R522 PolarHBondContact O-N 3.36Å; L518-R522 VanDerWaalsContact O-N 3.1Å; S519-R522 PolarHBondContact O-N 2.87Å; R522-A524 PolarHBondContact O-N 3.47Å; R522-K525 WeakPolarHBondContact O-CB 3.38Å; R522-K525 PolarHBondContact O-N 3.3Å; R522-D526 PolarHBondContact O-N 2.75Å
523	L	85.7	Confident	81.5	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-56	-53	172.4	173	69.4	0	0	0	110.4	A343 A346 V469 V504 F506 Y509 S519 M520 K525 D526 V527	A343-L523 HydrophobicContact CB-CD2 4.01Å; A346-L523 HydrophobicContact CB-CD2 3.9Å; V469-L523 HydrophobicContact CG1-CD1 4.18Å; V469-L523 HydrophobicContact CG1-CD2 4.44Å; V469-L523 HydrophobicContact CG2-CD1 4.49Å; V504-L523 HydrophobicContact CB-CD1 4.31Å; V504-L523 HydrophobicContact CG1-CD1 3.65Å; F506-L523 HydrophobicContact CD2-CB 4.26Å; F506-L523 HydrophobicContact CD2-CD1 3.9Å; F506-L523 HydrophobicContact CD2-CD2 3.37Å; F506-L523 HydrophobicContact CD2-CG 3.99Å; F506-L523 HydrophobicContact CE2-CB 4.29Å; F506-L523 HydrophobicContact CE2-CD2 3.52Å; F506-L523 HydrophobicContact CE2-CG 4.33Å; Y509-L523 HydrophobicContact CD2-CB 4.43Å; Y509-L523 HydrophobicContact CD2-CD1 4.15Å; Y509-L523 HydrophobicContact CE2-CD1 4.41Å; Y509-L523 HydrophobicContact CG-CB 4.36Å; S519-L523 PolarHBondContact O-N 2.97Å; S519-L523 VanDerWaalsContact O-N 3.08Å; M520-L523 WeakPolarHBondContact O-CB 3.35Å; M520-L523 PolarHBondContact O-N 2.83Å; L523-K525 VanDerWaalsContact C-N 3.26Å; L523-K525 PolarHBondContact O-N 3.39Å; L523-D526 PolarHBondContact O-N 2.9Å; L523-V527 HydrophobicContact CD1-CG2 3.67Å; L523-V527 HydrophobicContact CG-CG2 4.06Å; L523-V527 VanDerWaalsContact O-CB 3.23Å; L523-V527 WeakPolarHBondContact O-CB 3.47Å; L523-V527 WeakPolarHBondContact O-CG2 3.07Å; L523-V527 PolarHBondContact O-N 3.41Å
524	A	86.6	Confident	83	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-37.9	-176.1	0	0	0	0	0	112.1	A346 I350 M520 A521 R522 V527 L528	A346-A524 HydrophobicContact CB-CB 4.47Å; I350-A524 HydrophobicContact CD1-CB 3.42Å; I350-A524 VanDerWaalsContact CD1-CB 3.42Å; M520-A524 PolarHBondContact O-N 2.88Å; A521-A524 PolarHBondContact O-N 2.78Å; R522-A524 PolarHBondContact O-N 3.47Å; A524-V527 PolarHBondContact O-N 3.45Å; A524-L528 VanDerWaalsContact O-CB 3.29Å; A524-L528 WeakPolarHBondContact O-CB 3.48Å; A524-L528 WeakPolarHBondContact O-CG 3.29Å; A524-L528 PolarHBondContact O-N 2.79Å
525	K	85.1	Confident	84.5	Confident	48 Å²	48	38.2 Å²	38.2	21%	0.209	20%	0.2	C	C	.	.	H	α-helix	trans	-53.5	-56.8	175.1	-171.4	177.7	-168.3	119.2	0	111.6	E88 E89 A521 R522 L523 A529	E88-K525 HydrophobicContact CG-CB 4.17Å; E88-K525 HydrophobicContact CG-CG 3.66Å; E89-K525 IonicContact OE1-NZ 2.75Å; E89-K525 PolarHBondContact OE1-NZ 2.85Å; A521-K525 WeakPolarHBondContact O-CB 3.29Å; A521-K525 PolarHBondContact O-N 3.48Å; R522-K525 WeakPolarHBondContact O-CB 3.38Å; R522-K525 PolarHBondContact O-N 3.3Å; L523-K525 VanDerWaalsContact C-N 3.26Å; L523-K525 PolarHBondContact O-N 3.39Å; K525-A529 VanDerWaalsContact O-CB 3.28Å; K525-A529 WeakPolarHBondContact O-CB 3.16Å; K525-A529 PolarHBondContact O-N 2.71Å; K525-A529 VanDerWaalsContact O-N 3.08Å
526	D	84.8	Confident	85.6	Confident	66 Å²	66	36.7 Å²	36.7	35%	0.353	19%	0.192	S	C	.	.	H	α-helix	trans	-74.2	-31.9	-174.4	-67	-1.4	0	0	0	111.5	Y509 R522 L523	Y509-D526 HydrophobicContact CE1-CB 4.46Å; Y509-D526 WeakPolarHBondContact CE1-OD2 3.02Å; Y509-D526 PolarHBondContact OH-OD2 3.07Å; R522-D526 PolarHBondContact O-N 2.75Å; L523-D526 PolarHBondContact O-N 2.9Å
527	V	85.4	Confident	86.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-39.4	176.6	161.7	0	0	0	0	113.2	V347 I467 V469 V504 L523 A524	V347-V527 HydrophobicContact CG1-CG1 4.25Å; V347-V527 HydrophobicContact CG2-CB 4.39Å; V347-V527 HydrophobicContact CG2-CG1 3.75Å; I467-V527 HydrophobicContact CB-CG1 4.32Å; I467-V527 HydrophobicContact CD1-CG1 3.72Å; I467-V527 HydrophobicContact CG1-CG1 4.13Å; I467-V527 HydrophobicContact CG2-CB 4.39Å; I467-V527 HydrophobicContact CG2-CG1 3.32Å; I467-V527 HydrophobicContact CG2-CG2 4.34Å; V469-V527 HydrophobicContact CG2-CG2 3.93Å; V504-V527 HydrophobicContact CB-CG2 3.71Å; V504-V527 HydrophobicContact CG1-CG2 4.12Å; V504-V527 HydrophobicContact CG2-CB 4.4Å; V504-V527 HydrophobicContact CG2-CG2 3.56Å; L523-V527 HydrophobicContact CD1-CG2 3.67Å; L523-V527 HydrophobicContact CG-CG2 4.06Å; L523-V527 VanDerWaalsContact O-CB 3.23Å; L523-V527 WeakPolarHBondContact O-CB 3.47Å; L523-V527 WeakPolarHBondContact O-CG2 3.07Å; L523-V527 PolarHBondContact O-N 3.41Å; A524-V527 PolarHBondContact O-N 3.45Å
528	L	88.3	Confident	87.2	Confident	1 Å²	1	32 Å²	32	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-99	-12.8	-171.5	-66.5	175.8	0	0	0	113.7	F87 E88 V347 I350 V351 I467 A524 E530 I531	F87-L528 HydrophobicContact CD1-CB 4.16Å; F87-L528 WeakPolarHBondContact CD1-O 3.27Å; F87-L528 HydrophobicContact CE1-CB 3.92Å; F87-L528 HydrophobicContact CE1-CD2 4.28Å; E88-L528 HydrophobicContact CB-CB 3.7Å; V347-L528 HydrophobicContact CG1-CD2 4.04Å; V347-L528 HydrophobicContact CG1-CG 4.45Å; I350-L528 HydrophobicContact CB-CD1 3.82Å; I350-L528 HydrophobicContact CD1-CD1 4.15Å; I350-L528 HydrophobicContact CG2-CD1 3.54Å; V351-L528 HydrophobicContact CG1-CD1 3.96Å; V351-L528 HydrophobicContact CG1-CD2 3.54Å; V351-L528 HydrophobicContact CG1-CG 4.43Å; I467-L528 HydrophobicContact CD1-CD2 3.92Å; A524-L528 VanDerWaalsContact O-CB 3.29Å; A524-L528 WeakPolarHBondContact O-CB 3.48Å; A524-L528 WeakPolarHBondContact O-CG 3.29Å; A524-L528 PolarHBondContact O-N 2.79Å; L528-E530 PolarHBondContact O-N 2.89Å; L528-E530 VanDerWaalsContact O-N 3.15Å; L528-I531 HydrophobicContact CD2-CG1 4.32Å; L528-I531 PolarHBondContact O-N 3.45Å
529	A	83	Confident	88	Confident	51 Å²	51	29.4 Å²	29.4	42%	0.421	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-35	-176	0	0	0	0	0	113.8	K525	K525-A529 VanDerWaalsContact O-CB 3.28Å; K525-A529 WeakPolarHBondContact O-CB 3.16Å; K525-A529 PolarHBondContact O-N 2.71Å; K525-A529 VanDerWaalsContact O-N 3.08Å
530	E	87.2	Confident	88.5	Confident	54 Å²	54	36.5 Å²	36.5	25%	0.252	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-20	-175.2	-64.9	-144.5	159.5	0	0	115.1	Q502 L528 E533 Q534	Q502-E530 PolarHBondContact OE1-OE1 3.45Å; Q502-E530 PolarHBondContact OE1-OE2 2.72Å; L528-E530 PolarHBondContact O-N 2.89Å; L528-E530 VanDerWaalsContact O-N 3.15Å; E530-E533 PolarHBondContact O-N 3.42Å; E530-E533 VanDerWaalsContact O-N 3.07Å; E530-Q534 HydrophobicContact CB-CG 4.31Å; E530-Q534 WeakPolarHBondContact O-CG 3.47Å; E530-Q534 PolarHBondContact O-N 3.24Å; E530-Q534 PolarHBondContact OE2-NE2 3.18Å
531	I	91.4	Very high	88.8	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-57	-44.5	-172.2	-62.2	-62.4	0	0	0	112.1	F87 V437 I467 L528 E533 Q534 F535	F87-I531 HydrophobicContact CE1-CB 3.86Å; F87-I531 HydrophobicContact CE1-CG1 4.5Å; F87-I531 HydrophobicContact CE1-CG2 4.09Å; F87-I531 HydrophobicContact CZ-CB 4.42Å; F87-I531 HydrophobicContact CZ-CG2 4.14Å; V437-I531 HydrophobicContact CG1-CD1 4.19Å; V437-I531 HydrophobicContact CG2-CD1 4.42Å; V437-I531 HydrophobicContact CG2-CG2 4.19Å; I467-I531 HydrophobicContact CD1-CD1 3.99Å; I467-I531 HydrophobicContact CD1-CG1 4.23Å; I467-I531 HydrophobicContact CG1-CD1 4.11Å; L528-I531 HydrophobicContact CD2-CG1 4.32Å; L528-I531 PolarHBondContact O-N 3.45Å; I531-E533 VanDerWaalsContact C-N 3.35Å; I531-E533 PolarHBondContact O-N 3.19Å; I531-Q534 PolarHBondContact O-N 3.09Å; I531-F535 WeakPolarHBondContact O-CB 3.34Å; I531-F535 PolarHBondContact O-N 3.21Å
532	P	90.8	Very high	89.4	Confident	25 Å²	25	43 Å²	43	16%	0.162	21%	0.212	C	C	.	.	H	α-helix	trans	-58.2	-41.7	176.2	-26.9	37.1	0	0	0	113.7	F87 F298 F535 L536	F87-P532 HydrophobicContact CB-CG 4.03Å; F87-P532 HydrophobicContact CD1-CG 3.67Å; F87-P532 HydrophobicContact CE1-CG 4.31Å; F87-P532 HydrophobicContact CG-CG 3.83Å; F298-P532 HydrophobicContact CB-CB 4.07Å; F298-P532 HydrophobicContact CD2-CB 4.19Å; F298-P532 HydrophobicContact CG-CB 4.01Å; F298-P532 HydrophobicContact CG-CG 4.5Å; P532-F535 WeakPolarHBondContact O-CB 3.11Å; P532-L536 WeakPolarHBondContact O-CB 3.38Å; P532-L536 VanDerWaalsContact O-CG 3.24Å; P532-L536 WeakPolarHBondContact O-CG 3.32Å; P532-L536 PolarHBondContact O-N 3.46Å
533	E	89	Confident	89.8	Confident	106 Å²	106	39.7 Å²	39.7	50%	0.495	22%	0.219	S	C	.	.	H	α-helix	trans	-74.8	-40.3	-179.3	-178.4	57.1	-158.9	0	0	111.6	E530 I531 F535 L536 S537 R540	E530-E533 PolarHBondContact O-N 3.42Å; E530-E533 VanDerWaalsContact O-N 3.07Å; I531-E533 VanDerWaalsContact C-N 3.35Å; I531-E533 PolarHBondContact O-N 3.19Å; E533-F535 VanDerWaalsContact C-N 3.27Å; E533-F535 PolarHBondContact O-N 3.45Å; E533-L536 PolarHBondContact O-N 2.88Å; E533-S537 WeakPolarHBondContact O-CB 3.26Å; E533-S537 PolarHBondContact O-N 2.78Å; E533-R540 IonicContact OE1-CZ 3.99Å; E533-R540 IonicContact OE1-NH2 3.79Å; E533-R540 PolarHBondContact OE1-NH2 2.89Å; E533-R540 IonicContact OE2-NH2 3.38Å
534	Q	93.4	Very high	90.2	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.028	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-38.9	173.8	-67.1	-179.1	5.5	0	0	111.3	Y435 S465 R498 E530 I531 Y538	Y435-Q534 PolarHBondContact OH-O 2.71Å; S465-Q534 VanDerWaalsContact CB-OE1 3.23Å; S465-Q534 PolarHBondContact OG-OE1 3.37Å; R498-Q534 PolarHBondContact NH1-O 3.04Å; R498-Q534 VanDerWaalsContact NH1-O 3.1Å; E530-Q534 HydrophobicContact CB-CG 4.31Å; E530-Q534 WeakPolarHBondContact O-CG 3.47Å; E530-Q534 PolarHBondContact O-N 3.24Å; E530-Q534 PolarHBondContact OE2-NE2 3.18Å; I531-Q534 PolarHBondContact O-N 3.09Å; Q534-Y538 PolarHBondContact O-N 2.67Å
535	F	94.3	Very high	90.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-53.4	172	174	-81.6	0	0	0	111.8	F298 Y301 T306 I308 Y435 I531 P532 E533 S537 Y538 M539	F298-F535 HydrophobicContact CD2-CB 4.24Å; F298-F535 AromaticContact CD2-CD1 3.64Å; F298-F535 HydrophobicContact CD2-CD1 3.64Å; F298-F535 HydrophobicContact CD2-CD2 4.48Å; F298-F535 HydrophobicContact CD2-CE1 4.08Å; F298-F535 AromaticContact CD2-CG 3.88Å; F298-F535 HydrophobicContact CD2-CG 3.88Å; F298-F535 HydrophobicContact CE2-CB 4.29Å; F298-F535 HydrophobicContact CE2-CD1 4.12Å; F298-F535 HydrophobicContact CE2-CD2 4.14Å; F298-F535 AromaticContact CE2-CG 3.93Å; F298-F535 HydrophobicContact CE2-CG 3.93Å; Y301-F535 HydrophobicContact CD1-CE1 4.12Å; Y301-F535 HydrophobicContact CD1-CZ 4Å; Y301-F535 AromaticContact CD2-CE1 3.51Å; Y301-F535 HydrophobicContact CD2-CE1 3.51Å; Y301-F535 HydrophobicContact CD2-CZ 4.14Å; Y301-F535 HydrophobicContact CE2-CE1 4.08Å; Y301-F535 AromaticContact CG-CE1 3.51Å; Y301-F535 HydrophobicContact CG-CE1 3.51Å; Y301-F535 AromaticContact CG-CZ 3.64Å; Y301-F535 HydrophobicContact CG-CZ 3.64Å; T306-F535 HydrophobicContact CG2-CE2 3.69Å; T306-F535 HydrophobicContact CG2-CZ 3.82Å; I308-F535 HydrophobicContact CD1-CD2 3.99Å; I308-F535 HydrophobicContact CD1-CE2 3.91Å; Y435-F535 HydrophobicContact CD1-CD2 4.04Å; Y435-F535 AromaticContact CD2-CD2 3.51Å; Y435-F535 HydrophobicContact CD2-CD2 3.51Å; Y435-F535 HydrophobicContact CD2-CE2 4.09Å; Y435-F535 HydrophobicContact CD2-CG 4.35Å; Y435-F535 HydrophobicContact CE1-CB 4.45Å; Y435-F535 HydrophobicContact CE2-CB 4.24Å; Y435-F535 HydrophobicContact CE2-CD2 4.03Å; Y435-F535 HydrophobicContact CE2-CG 4.46Å; Y435-F535 AromaticContact CG-CD2 3.5Å; Y435-F535 HydrophobicContact CG-CD2 3.5Å; Y435-F535 HydrophobicContact CG-CE2 4.06Å; Y435-F535 PolarHBondContact OH-N 3.5Å; I531-F535 WeakPolarHBondContact O-CB 3.34Å; I531-F535 PolarHBondContact O-N 3.21Å; P532-F535 WeakPolarHBondContact O-CB 3.11Å; E533-F535 VanDerWaalsContact C-N 3.27Å; E533-F535 PolarHBondContact O-N 3.45Å; F535-S537 VanDerWaalsContact C-N 3.27Å; F535-S537 PolarHBondContact O-N 3.09Å; F535-Y538 WeakPolarHBondContact O-CB 3.46Å; F535-Y538 PolarHBondContact O-N 3.08Å; F535-Y538 VanDerWaalsContact O-N 3.14Å; F535-M539 HydrophobicContact CD1-CG 4.12Å; F535-M539 HydrophobicContact CD2-CE 4.22Å; F535-M539 HydrophobicContact CE1-CE 3.98Å; F535-M539 HydrophobicContact CE1-CG 3.67Å; F535-M539 HydrophobicContact CE2-CE 3.37Å; F535-M539 HydrophobicContact CZ-CE 3.22Å; F535-M539 HydrophobicContact CZ-CG 3.93Å; F535-M539 HydrophobicContact CZ-SD 4.44Å; F535-M539 WeakPolarHBondContact O-CG 3.26Å; F535-M539 PolarHBondContact O-N 2.89Å
536	L	92	Very high	90.6	Very high	26 Å²	26	48.6 Å²	48.6	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-65	-33.4	-178.3	-73.4	173.2	0	0	0	111.9	F298 Y301 P532 E533 M539 R540	F298-L536 HydrophobicContact CB-CD1 4.47Å; Y301-L536 HydrophobicContact CD2-CD2 4.18Å; Y301-L536 HydrophobicContact CE2-CD2 3.8Å; P532-L536 WeakPolarHBondContact O-CB 3.38Å; P532-L536 VanDerWaalsContact O-CG 3.24Å; P532-L536 WeakPolarHBondContact O-CG 3.32Å; P532-L536 PolarHBondContact O-N 3.46Å; E533-L536 PolarHBondContact O-N 2.88Å; L536-M539 PolarHBondContact O-N 2.9Å; L536-R540 VanDerWaalsContact O-CB 3.29Å; L536-R540 WeakPolarHBondContact O-CB 3.47Å; L536-R540 VanDerWaalsContact O-CG 3.28Å; L536-R540 WeakPolarHBondContact O-CG 3.27Å; L536-R540 PolarHBondContact O-N 2.92Å; L536-R540 PolarHBondContact O-NE 3.28Å
537	S	91.6	Very high	90.6	Very high	37 Å²	37	48.8 Å²	48.8	26%	0.259	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-45.5	172.8	-178	0	0	0	0	111.3	R498 E533 F535 A541	R498-S537 WeakPolarHBondContact CD-OG 3.24Å; E533-S537 WeakPolarHBondContact O-CB 3.26Å; E533-S537 PolarHBondContact O-N 2.78Å; F535-S537 VanDerWaalsContact C-N 3.27Å; F535-S537 PolarHBondContact O-N 3.09Å; S537-A541 VanDerWaalsContact O-CB 3.26Å; S537-A541 WeakPolarHBondContact O-CB 3.2Å; S537-A541 PolarHBondContact O-N 2.93Å
538	Y	95.6	Very high	90.3	Very high	8 Å²	8	54.5 Å²	54.5	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-51.3	173.9	173.3	-97.2	0	0	0	112.2	Y435 L462 P463 Q534 F535 R540 A541 R542 I544	Y435-Y538 HydrophobicContact CD2-CD1 4.41Å; Y435-Y538 HydrophobicContact CE2-CD1 4.29Å; Y435-Y538 HydrophobicContact CE2-CG 4.23Å; L462-Y538 VanDerWaalsContact C-CE2 3.45Å; L462-Y538 WeakPolarHBondContact O-CD2 3.27Å; P463-Y538 HydrophobicContact CB-CD1 4.02Å; P463-Y538 HydrophobicContact CB-CE1 3.55Å; P463-Y538 HydrophobicContact CB-CE2 4.08Å; P463-Y538 HydrophobicContact CB-CG 4.49Å; P463-Y538 HydrophobicContact CG-CE1 4.45Å; Q534-Y538 PolarHBondContact O-N 2.67Å; F535-Y538 WeakPolarHBondContact O-CB 3.46Å; F535-Y538 PolarHBondContact O-N 3.08Å; F535-Y538 VanDerWaalsContact O-N 3.14Å; Y538-R540 PolarHBondContact O-N 3.05Å; Y538-A541 PolarHBondContact O-N 3.39Å; Y538-R542 HydrophobicContact CD2-CG 4.41Å; Y538-R542 HydrophobicContact CE2-CG 3.98Å; Y538-R542 PolarHBondContact O-N 2.61Å; Y538-I544 HydrophobicContact CE1-CD1 3.72Å
539	M	94.9	Very high	89.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.7	-44.5	-176.2	-64.3	-57.2	-175.4	0	0	111.6	Y301 T306 F535 L536 R542 G543 I544	Y301-M539 HydrophobicContact CD1-CE 4.29Å; Y301-M539 HydrophobicContact CD1-CG 4.24Å; Y301-M539 HydrophobicContact CD1-SD 4.45Å; Y301-M539 HydrophobicContact CE1-CB 4.03Å; Y301-M539 HydrophobicContact CE1-CG 3.75Å; Y301-M539 HydrophobicContact CE1-SD 4.07Å; Y301-M539 HydrophobicContact CE2-CB 4.34Å; Y301-M539 HydrophobicContact CE2-CG 4.32Å; Y301-M539 WeakPolarHBondContact OH-CB 3.03Å; T306-M539 HydrophobicContact CG2-CE 4.25Å; F535-M539 HydrophobicContact CD1-CG 4.12Å; F535-M539 HydrophobicContact CD2-CE 4.22Å; F535-M539 HydrophobicContact CE1-CE 3.98Å; F535-M539 HydrophobicContact CE1-CG 3.67Å; F535-M539 HydrophobicContact CE2-CE 3.37Å; F535-M539 HydrophobicContact CZ-CE 3.22Å; F535-M539 HydrophobicContact CZ-CG 3.93Å; F535-M539 HydrophobicContact CZ-SD 4.44Å; F535-M539 WeakPolarHBondContact O-CG 3.26Å; F535-M539 PolarHBondContact O-N 2.89Å; L536-M539 PolarHBondContact O-N 2.9Å; M539-R542 CarbonylContact O-C 3.47Å; M539-R542 PolarHBondContact O-N 3.43Å; M539-G543 PolarHBondContact O-N 3.4Å; M539-I544 HydrophobicContact CB-CB 4.38Å; M539-I544 PolarHBondContact O-N 3.4Å; M539-I544 HydrophobicContact SD-CB 3.86Å; M539-I544 HydrophobicContact SD-CD1 3.76Å; M539-I544 HydrophobicContact SD-CG1 4.42Å; M539-I544 HydrophobicContact SD-CG2 3.7Å
540	R	89.9	Confident	88.3	Confident	152 Å²	152	56.9 Å²	56.9	57%	0.574	32%	0.322	S	S	*	.	H	α-helix	trans	-62.1	-47.4	176.4	-76.2	-177.4	-67.5	171.2	-4	112.1	E533 L536 Y538 R542 G543	E533-R540 IonicContact OE1-CZ 3.99Å; E533-R540 IonicContact OE1-NH2 3.79Å; E533-R540 PolarHBondContact OE1-NH2 2.89Å; E533-R540 IonicContact OE2-NH2 3.38Å; L536-R540 VanDerWaalsContact O-CB 3.29Å; L536-R540 WeakPolarHBondContact O-CB 3.47Å; L536-R540 VanDerWaalsContact O-CG 3.28Å; L536-R540 WeakPolarHBondContact O-CG 3.27Å; L536-R540 PolarHBondContact O-N 2.92Å; L536-R540 PolarHBondContact O-NE 3.28Å; Y538-R540 PolarHBondContact O-N 3.05Å; R540-R542 PolarHBondContact O-N 3.31Å; R540-R542 VanDerWaalsContact O-N 3.14Å; R540-G543 PolarHBondContact O-N 3.34Å
541	A	91	Very high	86.9	Confident	69 Å²	69	59.9 Å²	59.9	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-61.4	-23.8	-179.6	0	0	0	0	0	113.2	S537 Y538	S537-A541 VanDerWaalsContact O-CB 3.26Å; S537-A541 WeakPolarHBondContact O-CB 3.2Å; S537-A541 PolarHBondContact O-N 2.93Å; Y538-A541 PolarHBondContact O-N 3.39Å
542	R	93.9	Very high	85.2	Confident	122 Å²	122	65.5 Å²	65.5	46%	0.46	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-0.8	177.3	-61.8	-60.4	-176.3	-150.1	-10.7	114	K461 E497 Y538 M539 R540 I544	K461-R542 PolarHBondContact O-NH2 2.67Å; E497-R542 IonicContact OE2-CZ 3.35Å; E497-R542 IonicContact OE2-NH2 3.82Å; E497-R542 PolarHBondContact OE2-NH2 3.28Å; Y538-R542 HydrophobicContact CD2-CG 4.41Å; Y538-R542 HydrophobicContact CE2-CG 3.98Å; Y538-R542 PolarHBondContact O-N 2.61Å; M539-R542 CarbonylContact O-C 3.47Å; M539-R542 PolarHBondContact O-N 3.43Å; R540-R542 PolarHBondContact O-N 3.31Å; R540-R542 VanDerWaalsContact O-N 3.14Å; R542-I544 HydrophobicContact CB-CD1 3.7Å; R542-I544 HydrophobicContact CB-CG1 3.76Å; R542-I544 HydrophobicContact CG-CD1 4.4Å; R542-I544 PolarHBondContact O-N 2.97Å
543	G	91.6	Very high	83.3	Confident	61 Å²	61	71 Å²	71	63%	0.629	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.1	24	-176.2	0	0	0	0	0	113.4	M539 R540	M539-G543 PolarHBondContact O-N 3.4Å; R540-G543 PolarHBondContact O-N 3.34Å
544	I	93.6	Very high	81.1	Confident	24 Å²	24	72 Å²	72	12%	0.123	41%	0.414	C	S	.	.			trans	-74	139	177.4	-61.6	167.8	0	0	0	107.6	Y301 D431 Y538 M539 R542	Y301-I544 HydrophobicContact CE1-CG2 4.22Å; Y301-I544 PolarHBondContact OH-O 3.07Å; D431-I544 WeakPolarHBondContact O-CG2 3.35Å; Y538-I544 HydrophobicContact CE1-CD1 3.72Å; M539-I544 HydrophobicContact CB-CB 4.38Å; M539-I544 PolarHBondContact O-N 3.4Å; M539-I544 HydrophobicContact SD-CB 3.86Å; M539-I544 HydrophobicContact SD-CD1 3.76Å; M539-I544 HydrophobicContact SD-CG1 4.42Å; M539-I544 HydrophobicContact SD-CG2 3.7Å; R542-I544 HydrophobicContact CB-CD1 3.7Å; R542-I544 HydrophobicContact CB-CG1 3.76Å; R542-I544 HydrophobicContact CG-CD1 4.4Å; R542-I544 PolarHBondContact O-N 2.97Å
545	K	91.3	Very high	78.7	Confident	173 Å²	173	75.6 Å²	75.6	75%	0.752	44%	0.438	S	S	*	.			trans	-115.6	152.4	176.9	-69.3	-171.1	179.5	-173.5	0	109.3
546	P	88.6	Confident	76.1	Confident	38 Å²	38	80.2 Å²	80.2	25%	0.247	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-64.6	141.3	177.1	29.4	-35.1	0	0	0	109.1	V296 D300 Y301	V296-P546 HydrophobicContact CG1-CB 4.34Å; V296-P546 HydrophobicContact CG1-CG 3.63Å; V296-P546 HydrophobicContact CG2-CG 4.42Å; D300-P546 HydrophobicContact CB-CB 4.12Å; D300-P546 HydrophobicContact CB-CG 4.14Å; Y301-P546 HydrophobicContact CD1-CB 4.01Å; Y301-P546 HydrophobicContact CD2-CB 4.44Å; Y301-P546 HydrophobicContact CE1-CB 4.19Å; Y301-P546 HydrophobicContact CG-CB 4.13Å
547	S	86.6	Confident	73.4	Confident	71 Å²	71	85 Å²	85	50%	0.497	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-64	151.1	172.1	-71	0	0	0	0	110.5	G304 A549	G304-S547 WeakPolarHBondContact CA-O 3.43Å; G304-S547 VanDerWaalsContact O-CB 3.31Å; G304-S547 WeakPolarHBondContact O-CB 3.47Å; S547-A549 PolarHBondContact O-N 3.25Å
548	P	78.4	Confident	71	Confident	119 Å²	119	92 Å²	92	77%	0.773	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-56.2	141.9	172.1	-19.1	30.4	0	0	0	110.3
549	A	65.2	Low	68	Low	51 Å²	51	97.3 Å²	97.3	42%	0.421	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-56.7	147.5	170.9	0	0	0	0	0	109.9	K303 S547	K303-A549 HydrophobicContact CG-CB 4.27Å; S547-A549 PolarHBondContact O-N 3.25Å
550	P	64.6	Low	65.2	Low	52 Å²	52	104.8 Å²	104.8	34%	0.338	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-50.9	146.3	172.1	-19.7	27.8	0	0	0	110.5	Q127	Q127-P550 HydrophobicContact CG-CG 3.94Å
551	P	56.9	Low	62.5	Low	117 Å²	117	105.6 Å²	105.6	76%	0.76	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-55.3	146.1	177.6	22.1	-31.4	0	0	0	110.5	Y553	P551-Y553 PolarHBondContact O-N 3.17Å
552	P	56.4	Low	59.9	Low	119 Å²	119	108.1 Å²	108.1	77%	0.773	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-53.8	134	179	-20.1	29.3	0	0	0	110.2	T554	P552-T554 PolarHBondContact O-N 3.1Å
553	Y	51	Low	57.2	Low	140 Å²	140	110.9 Å²	110.9	55%	0.549	64%	0.636	S	S	.	*			trans	-58.7	114.4	175.1	174.7	-100.5	0	0	0	109.9	P551 P555 P556	P551-Y553 PolarHBondContact O-N 3.17Å; Y553-P555 VanDerWaalsContact CE1-CA 3.49Å; Y553-P555 HydrophobicContact CE1-CB 3.89Å; Y553-P555 WeakPolarHBondContact O-CD 3.09Å; Y553-P556 VanDerWaalsContact OH-CD 3.24Å; Y553-P556 WeakPolarHBondContact OH-CD 3.43Å
554	T	41.2	Very low	54.6	Low	126 Å²	126	119.1 Å²	119.1	77%	0.773	66%	0.663	S	S	*	*			trans	-84.7	112.9	166.1	19.4	0	0	0	0	108.2	P552	P552-T554 PolarHBondContact O-N 3.1Å
555	P	45.1	Very low	52.6	Low	82 Å²	82	123.9 Å²	123.9	53%	0.532	69%	0.69	S	S	.	*			trans	-58.5	140.9	174.1	22.8	-31.1	0	0	0	109.7	Y553 T557	Y553-P555 VanDerWaalsContact CE1-CA 3.49Å; Y553-P555 HydrophobicContact CE1-CB 3.89Å; Y553-P555 WeakPolarHBondContact O-CD 3.09Å; P555-T557 PolarHBondContact O-N 3.03Å; P555-T557 VanDerWaalsContact O-N 3.08Å
556	P	38.4	Very low	50.6	Low	98 Å²	98	121.3 Å²	121.3	64%	0.636	69%	0.687	S	S	*	*			trans	-54.5	120	172.8	-20.5	28.3	0	0	0	108.9	Y553 H558	Y553-P556 VanDerWaalsContact OH-CD 3.24Å; Y553-P556 WeakPolarHBondContact OH-CD 3.43Å; P556-H558 PolarHBondContact O-N 3.02Å
557	T	36.1	Very low	48.5	Very low	126 Å²	126	125.9 Å²	125.9	77%	0.773	71%	0.711	S	S	*	*			trans	-63.9	109.2	169.2	30.5	0	0	0	0	107.6	P555 V559	P555-T557 PolarHBondContact O-N 3.03Å; P555-T557 VanDerWaalsContact O-N 3.08Å; T557-V559 VanDerWaalsContact C-N 3.3Å; T557-V559 PolarHBondContact O-N 2.87Å
558	H	40	Very low	46.2	Very low	184 Å²	184	129.1 Å²	129.1	85%	0.852	72%	0.724	S	S	*	*			trans	-62.3	98.5	164.8	-93.6	-80	0	0	0	107.5	P556 L560	P556-H558 PolarHBondContact O-N 3.02Å; H558-L560 PolarHBondContact O-N 3.3Å
559	V	33.1	Very low	44.2	Very low	120 Å²	120	129.8 Å²	129.8	73%	0.727	72%	0.721	S	S	*	*			trans	-67	103.9	166.4	-164.4	0	0	0	0	105.6	T557 Q561	T557-V559 VanDerWaalsContact C-N 3.3Å; T557-V559 PolarHBondContact O-N 2.87Å; V559-Q561 PolarHBondContact O-N 2.85Å
560	L	36	Very low	42.8	Very low	156 Å²	156	135 Å²	135	82%	0.817	74%	0.741	S	S	*	*			trans	-59.2	94.9	164.4	-91.3	151.5	0	0	0	106.8	H558 T562	H558-L560 PolarHBondContact O-N 3.3Å; L560-T562 PolarHBondContact O-N 2.93Å
561	Q	32.8	Very low	41.2	Very low	169 Å²	169	140.9 Å²	140.9	79%	0.79	77%	0.769	S	S	*	*			trans	-67.5	90.8	159.6	-85.6	-177.2	-15	0	0	106.6	V559 Q563	V559-Q561 PolarHBondContact O-N 2.85Å; Q561-Q563 VanDerWaalsContact C-N 3.34Å; Q561-Q563 PolarHBondContact O-N 3.38Å
562	T	36.6	Very low	40	Very low	122 Å²	122	142.8 Å²	142.8	75%	0.748	77%	0.77	S	S	*	*			trans	-59.3	102.4	156.9	35.6	0	0	0	0	107.1	L560 I564	L560-T562 PolarHBondContact O-N 2.93Å; T562-I564 PolarHBondContact O-N 3.01Å
563	Q	37.3	Very low	38.7	Very low	180 Å²	180	144.8 Å²	144.8	84%	0.841	77%	0.77	S	S	*	*			trans	-67.4	119.2	161.7	-70.3	-175.5	-6.9	0	0	107.2	Q561	Q561-Q563 VanDerWaalsContact C-N 3.34Å; Q561-Q563 PolarHBondContact O-N 3.38Å
564	I	36.7	Very low	37.6	Very low	234 Å²	234	145.2 Å²	145.2	100%	1.2	79%	0.79	S	S	*	*			trans	-88.3	0	159.5	-62.6	177	0	0	0	107.1	T562	T562-I564 PolarHBondContact O-N 3.01Å

Retrieved 564 of 564 residues in 417.7 ms (Link to these results)

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