TY3H_SCHMA Loading...

Tyrosine 3-monooxygenase

AlphaFold DB , UniProt , Accession O17446, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene TH, Length 465 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.8	Very low	27.3	Very low	247 Å²	247	159.5 Å²	159.5	100%	1.217	83%	0.832	S	S	*	*				0	115.9	0	-131.9	164.8	173.5	0	0	106.4	M3	M1-M3 PolarHBondContact O-N 3.07Å
2	K	25.9	Very low	27.3	Very low	201 Å²	201	160.8 Å²	160.8	87%	0.874	83%	0.831	S	S	*	*			trans	-62	127.9	-178.7	-87.4	177.9	171.1	179.1	0	109.7
3	M	30.5	Very low	27.4	Very low	193 Å²	193	161.2 Å²	161.2	95%	0.951	83%	0.827	S	S	*	*			trans	-132.8	104.3	146.7	-155.8	119.1	173.6	0	0	105.6	M1	M1-M3 PolarHBondContact O-N 3.07Å
4	T	22.9	Very low	27.5	Very low	111 Å²	111	159.9 Å²	159.9	68%	0.681	82%	0.822	S	S	*	*			trans	-123.5	146.8	177.2	-50.6	0	0	0	0	106.1
5	M	23.1	Very low	27.4	Very low	154 Å²	154	159.1 Å²	159.1	76%	0.759	82%	0.821	S	S	*	*			trans	87.5	129.7	174.1	-53.9	-171.9	66.2	0	0	113.4
6	M	27.6	Very low	27.5	Very low	144 Å²	144	160.3 Å²	160.3	71%	0.709	82%	0.818	S	S	*	*			cis	-142.7	140.2	19.7	-69.2	-179.9	117.5	0	0	110.2
7	C	20.8	Very low	27.6	Very low	131 Å²	131	157.2 Å²	157.2	89%	0.885	81%	0.814	S	S	*	*			trans	-88.8	110.7	156.3	-67.8	0	0	0	0	106.4
8	D	27.7	Very low	27.6	Very low	128 Å²	128	154.2 Å²	154.2	68%	0.684	81%	0.809	S	S	*	*			trans	-123.8	105.2	160.1	-82.5	-26.4	0	0	0	108.1
9	E	28.6	Very low	27.9	Very low	176 Å²	176	152.7 Å²	152.7	82%	0.822	81%	0.807	S	S	*	*			trans	41.1	119.2	135.8	-61.1	-174.5	158.5	0	0	121.3
10	S	29	Very low	28.4	Very low	102 Å²	102	150.3 Å²	150.3	71%	0.713	80%	0.798	S	S	*	*			trans	56.2	101.5	144.4	55.1	0	0	0	0	118.8	E12	S10-E12 PolarHBondContact O-N 3.43Å; S10-E12 VanDerWaalsContact O-N 3.07Å
11	I	27.8	Very low	28.7	Very low	168 Å²	168	152 Å²	152	86%	0.862	80%	0.801	S	S	*	*			trans	-61.9	97.5	156.8	-61.6	165.1	0	0	0	107.7
12	E	27.4	Very low	28.9	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.813	76%	0.756	S	S	*	*			trans	-73	122.3	161.1	-82.2	-173	159	0	0	108.8	S10 N14	S10-E12 PolarHBondContact O-N 3.43Å; S10-E12 VanDerWaalsContact O-N 3.07Å; E12-N14 PolarHBondContact O-N 3.01Å; E12-N14 VanDerWaalsContact O-N 3.08Å
13	E	28	Very low	29.9	Very low	166 Å²	166	136.6 Å²	136.6	78%	0.776	73%	0.733	S	S	*	*			trans	-55.7	106.8	179.3	-67.7	176.7	152.4	0	0	111.4	N15	E13-N15 PolarHBondContact O-N 3.41Å
14	N	28.9	Very low	30.8	Very low	143 Å²	143	132.8 Å²	132.8	77%	0.765	71%	0.713	S	S	*	*			trans	-71.4	72.3	165.9	-95.5	-38.5	0	0	0	110.3	E12 K16	E12-N14 PolarHBondContact O-N 3.01Å; E12-N14 VanDerWaalsContact O-N 3.08Å; N14-K16 PolarHBondContact O-N 2.94Å
15	N	26	Very low	31.8	Very low	149 Å²	149	133 Å²	133	80%	0.797	71%	0.71	S	S	*	*			trans	-79.1	64.4	160.2	-91.6	-26.9	0	0	0	109.6	E13 S17	E13-N15 PolarHBondContact O-N 3.41Å; N15-S17 PolarHBondContact O-N 3.07Å
16	K	29.3	Very low	33	Very low	178 Å²	178	134.8 Å²	134.8	77%	0.774	72%	0.716	S	S	*	*			trans	-86.5	98	162.3	-79.5	-173.7	179.2	178.3	0	108.2	N14 S18	N14-K16 PolarHBondContact O-N 2.94Å; K16-S18 PolarHBondContact O-N 3.08Å
17	S	30.1	Very low	33.9	Very low	107 Å²	107	138.1 Å²	138.1	75%	0.748	73%	0.727	S	S	*	*			trans	-43.6	120.1	161	-178.6	0	0	0	0	108.8	N15 T19	N15-S17 PolarHBondContact O-N 3.07Å; S17-T19 VanDerWaalsContact C-N 3.3Å; S17-T19 PolarHBondContact O-N 3.29Å
18	S	27.4	Very low	35.8	Very low	104 Å²	104	136.5 Å²	136.5	73%	0.727	71%	0.709	S	S	*	*			trans	-69.3	84.7	-178.9	56.6	0	0	0	0	110	K16 V20	K16-S18 PolarHBondContact O-N 3.08Å; S18-V20 PolarHBondContact O-N 2.85Å
19	T	32.9	Very low	37.7	Very low	125 Å²	125	132 Å²	132	77%	0.767	69%	0.694	S	S	*	*			trans	-65.3	112.4	160.7	23.3	0	0	0	0	107.9	S17 E21	S17-T19 VanDerWaalsContact C-N 3.3Å; S17-T19 PolarHBondContact O-N 3.29Å; T19-E21 PolarHBondContact O-N 3.38Å
20	V	37.9	Very low	40	Very low	105 Å²	105	130.2 Å²	130.2	64%	0.636	68%	0.679	S	S	*	*			trans	-60.4	115.9	173.3	178.1	0	0	0	0	108.1	S18	S18-V20 PolarHBondContact O-N 2.85Å
21	E	34.4	Very low	42.6	Very low	186 Å²	186	130 Å²	130	87%	0.869	67%	0.67	S	S	*	*			trans	-69.2	140	180	-73.9	-177.4	157.1	0	0	111.8	T19	T19-E21 PolarHBondContact O-N 3.38Å
22	L	40.1	Very low	45.2	Very low	51 Å²	51	123.2 Å²	123.2	27%	0.267	63%	0.634	S	S	.	*			trans	-72	144.4	-179.3	-70.5	160.3	0	0	0	111.6	N101 L104	L22-N101 WeakPolarHBondContact CD2-OD1 3.3Å; L22-L104 HydrophobicContact CD2-CD1 3.29Å; L22-L104 HydrophobicContact CG-CD1 4.42Å
23	N	48.3	Very low	48.1	Very low	73 Å²	73	115.9 Å²	115.9	39%	0.39	60%	0.602	S	S	.	*			trans	-90.3	111.4	173.4	-167.9	-11.8	0	0	0	110	N25 N98 I100	N23-N25 PolarHBondContact OD1-N 3.12Å; N23-N98 PolarHBondContact O-ND2 2.93Å; N23-I100 HydrophobicContact CB-CD1 4.15Å
24	H	48	Very low	51	Low	113 Å²	113	108 Å²	108	52%	0.523	57%	0.565	S	S	.	*			trans	-95.3	21.2	-175	-73.4	-64.9	0	0	0	114.6	E26	H24-E26 PolarHBondContact O-N 2.93Å
25	N	45.2	Very low	53.9	Low	117 Å²	117	102.1 Å²	102.1	63%	0.626	53%	0.533	S	S	*	.			trans	-64.1	103.1	172.6	-89.4	-14.9	0	0	0	110.8	N23 K27	N23-N25 PolarHBondContact OD1-N 3.12Å; N25-K27 PolarHBondContact O-N 3.47Å; N25-K27 VanDerWaalsContact O-N 3.11Å
26	E	46.8	Very low	56.9	Low	190 Å²	190	95 Å²	95	89%	0.888	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-60.4	-17.7	-179.1	-73.2	-180	158.6	0	0	114.2	H24 D28	H24-E26 PolarHBondContact O-N 2.93Å; E26-D28 VanDerWaalsContact C-N 3.26Å; E26-D28 PolarHBondContact O-N 3.3Å
27	K	48.1	Very low	59.7	Low	214 Å²	214	87.3 Å²	87.3	93%	0.93	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-76.6	-0.6	-173.6	-72.2	-168.6	175.9	-177.2	0	115.8	N25	N25-K27 PolarHBondContact O-N 3.47Å; N25-K27 VanDerWaalsContact O-N 3.11Å
28	D	59.6	Low	62.5	Low	97 Å²	97	82.2 Å²	82.2	52%	0.519	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-127.1	23.7	-174.8	-156.7	19.1	0	0	0	113.3	E26 R30	E26-D28 VanDerWaalsContact C-N 3.26Å; E26-D28 PolarHBondContact O-N 3.3Å; D28-R30 PolarHBondContact O-N 3.01Å
29	G	67.1	Low	65.2	Low	35 Å²	35	80.5 Å²	80.5	36%	0.361	41%	0.408	S	S	.	.			trans	-68.9	117	175.7	0	0	0	0	0	111.3
30	R	78.3	Confident	67.5	Low	137 Å²	137	76 Å²	76	52%	0.517	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	147	169.7	-64.3	-178.6	-174.4	175.7	0.9	109.6	D28 H32 E96 A97 E99	D28-R30 PolarHBondContact O-N 3.01Å; R30-H32 PolarHBondContact O-CE1 3.39Å; R30-H32 PolarHBondContact O-ND1 3.01Å; R30-E96 WeakPolarHBondContact O-CA 3.43Å; R30-A97 PolarHBondContact N-O 3.23Å; R30-A97 PolarHBondContact O-N 3.02Å; R30-A97 VanDerWaalsContact O-O 3.06Å; R30-E99 IonicContact NH1-OE1 3.59Å
31	I	83.3	Confident	69.1	Low	99 Å²	99	75.5 Å²	75.5	51%	0.508	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	130.8	172.7	-59.4	179.8	0	0	0	108.3	T94 L95 N122	I31-T94 HydrophobicContact CG2-CG2 3.32Å; I31-L95 CarbonylContact C-O 3.57Å; I31-L95 WeakPolarHBondContact CA-O 3.44Å; I31-N122 VanDerWaalsContact C-ND2 3.26Å; I31-N122 PolarHBondContact O-ND2 2.74Å
32	H	83.2	Confident	70.8	Confident	25 Å²	25	70 Å²	70	12%	0.116	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	115.7	178.5	-62.2	86.6	0	0	0	109.5	R30 T94 L95 A97 M102 L120 N122	R30-H32 PolarHBondContact O-CE1 3.39Å; R30-H32 PolarHBondContact O-ND1 3.01Å; H32-T94 CarbonylContact O-C 3.59Å; H32-T94 VanDerWaalsContact O-CA 3.26Å; H32-T94 WeakPolarHBondContact O-CA 3.5Å; H32-L95 PolarHBondContact N-O 3.49Å; H32-L95 PolarHBondContact O-N 3.27Å; H32-A97 PolarHBondContact CE1-O 2.96Å; H32-A97 PolarHBondContact ND1-O 3.2Å; H32-M102 HydrophobicContact CB-CE 3.65Å; H32-M102 HydrophobicContact CB-CG 4.43Å; H32-M102 HydrophobicContact CB-SD 3.92Å; H32-L120 HydrophobicContact CB-CD1 4.28Å; H32-N122 WeakPolarHBondContact CA-ND2 3.21Å
33	S	87.6	Confident	72.1	Confident	19 Å²	19	76.6 Å²	76.6	13%	0.133	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	130.1	169.9	-54.8	0	0	0	0	109.6	I93 T94 L120 L121 N122	S33-I93 CarbonylContact C-O 3.59Å; S33-I93 WeakPolarHBondContact CA-O 3.34Å; S33-T94 WeakPolarHBondContact OG-CG2 3.26Å; S33-T94 PolarHBondContact OG-OG1 3.46Å; S33-T94 VanDerWaalsContact OG-OG1 3.05Å; S33-L120 CarbonylContact O-C 3.49Å; S33-L120 WeakPolarHBondContact O-CD1 3.4Å; S33-L121 PolarHBondContact O-N 3.41Å; S33-N122 WeakPolarHBondContact CB-OD1 3.33Å; S33-N122 VanDerWaalsContact N-CG 3.33Å; S33-N122 PolarHBondContact N-ND2 2.82Å; S33-N122 PolarHBondContact N-OD1 3.13Å; S33-N122 PolarHBondContact OG-OD1 2.99Å
34	I	88.4	Confident	72.7	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.5	179.4	57.3	174.5	0	0	0	110.4	I36 L92 I93 M102 L105 Y106 I118 N119 L120	I34-I36 HydrophobicContact CD1-CD1 3.98Å; I34-I36 HydrophobicContact CD1-CG1 4.08Å; I34-I36 HydrophobicContact CG1-CG1 4.36Å; I34-L92 CarbonylContact O-C 3.52Å; I34-L92 WeakPolarHBondContact O-CA 3.24Å; I34-L92 WeakPolarHBondContact O-CD1 3.4Å; I34-I93 HydrophobicContact CD1-CB 4.46Å; I34-I93 HydrophobicContact CG1-CB 3.97Å; I34-I93 WeakPolarHBondContact CG1-O 3.42Å; I34-I93 PolarHBondContact N-O 3.25Å; I34-I93 PolarHBondContact O-N 3.46Å; I34-M102 HydrophobicContact CG2-CE 4.17Å; I34-L105 HydrophobicContact CD1-CD2 4.28Å; I34-Y106 HydrophobicContact CD1-CE1 4.46Å; I34-Y106 HydrophobicContact CG2-CE1 3.92Å; I34-Y106 WeakPolarHBondContact CG2-OH 3.22Å; I34-I118 HydrophobicContact CB-CG2 4.16Å; I34-I118 HydrophobicContact CD1-CG2 4.37Å; I34-I118 HydrophobicContact CG2-CG2 4.48Å; I34-N119 CarbonylContact C-O 3.15Å; I34-N119 VanDerWaalsContact CA-O 3.31Å; I34-N119 WeakPolarHBondContact CA-O 3.08Å; I34-L120 HydrophobicContact CG2-CD1 3.7Å
35	I	88.9	Confident	73.5	Confident	20 Å²	20	79.8 Å²	79.8	10%	0.103	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122	165	-61.8	163.3	0	0	0	107.1	R75 C91 L92 I118 N119 L121	I35-R75 VanDerWaalsContact CD1-NH1 3.33Å; I35-C91 CarbonylContact C-O 3.46Å; I35-C91 WeakPolarHBondContact CA-O 3.28Å; I35-L92 HydrophobicContact CG1-CD1 4.47Å; I35-I118 CarbonylContact O-C 3.12Å; I35-I118 WeakPolarHBondContact O-CA 3.45Å; I35-N119 HydrophobicContact CB-CB 4.31Å; I35-N119 PolarHBondContact N-O 3.39Å; I35-N119 PolarHBondContact O-N 3.27Å; I35-L121 HydrophobicContact CD1-CD1 3.73Å; I35-L121 HydrophobicContact CD1-CD2 3.87Å; I35-L121 HydrophobicContact CD1-CG 3.71Å; I35-L121 HydrophobicContact CG1-CD1 3.5Å; I35-L121 HydrophobicContact CG1-CG 3.87Å
36	I	90	Very high	74.8	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.8	173.7	-58.3	169.9	0	0	0	107.2	I34 F38 I58 S90 C91 I93 L109 I115 I118	I34-I36 HydrophobicContact CD1-CD1 3.98Å; I34-I36 HydrophobicContact CD1-CG1 4.08Å; I34-I36 HydrophobicContact CG1-CG1 4.36Å; I36-F38 HydrophobicContact CG2-CD1 4.24Å; I36-I58 HydrophobicContact CB-CD1 4.48Å; I36-I58 HydrophobicContact CD1-CD1 4.28Å; I36-I58 HydrophobicContact CD1-CG2 3.67Å; I36-I58 HydrophobicContact CG2-CD1 3.92Å; I36-S90 CarbonylContact O-C 3.57Å; I36-S90 WeakPolarHBondContact O-CA 3.02Å; I36-S90 WeakPolarHBondContact O-CB 3.2Å; I36-C91 PolarHBondContact N-O 2.95Å; I36-C91 PolarHBondContact O-N 2.93Å; I36-I93 HydrophobicContact CD1-CD1 3.62Å; I36-I93 HydrophobicContact CD1-CG1 4.25Å; I36-L109 HydrophobicContact CD1-CD1 3.72Å; I36-L109 HydrophobicContact CG1-CD1 4.38Å; I36-I115 HydrophobicContact CG2-CD1 3.56Å; I36-I115 HydrophobicContact CG2-CG2 4.47Å; I36-I118 HydrophobicContact CG1-CG2 4.12Å; I36-I118 HydrophobicContact CG2-CG1 4.5Å
37	N	88.6	Confident	76.4	Confident	17 Å²	17	72.1 Å²	72.1	9%	0.091	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	136	175.1	-55.1	-59.7	0	0	0	109.6	Y89 S90 S116 G117 N119	N37-Y89 WeakPolarHBondContact CA-O 3.37Å; N37-S90 WeakPolarHBondContact OD1-CB 3.42Å; N37-S116 VanDerWaalsContact C-OG 3.26Å; N37-S116 WeakPolarHBondContact CB-OG 3.06Å; N37-S116 PolarHBondContact O-N 3.48Å; N37-S116 PolarHBondContact O-OG 3.34Å; N37-G117 PolarHBondContact N-O 3.23Å; N37-G117 PolarHBondContact O-N 2.93Å; N37-N119 PolarHBondContact ND2-ND2 3.48Å
38	F	88.2	Confident	77.9	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.7	-175.8	54.4	-86.8	0	0	0	112.1	I36 F50 Y51 T54 L55 I58 Y89 C91 F114 I115 S116	I36-F38 HydrophobicContact CG2-CD1 4.24Å; F38-F50 AromaticContact CD2-CE1 3.96Å; F38-F50 HydrophobicContact CD2-CE1 3.96Å; F38-F50 HydrophobicContact CD2-CZ 4.37Å; F38-Y51 AromaticContact CE2-CD2 3.52Å; F38-Y51 HydrophobicContact CE2-CD2 3.52Å; F38-Y51 AromaticContact CE2-CE2 3.91Å; F38-Y51 HydrophobicContact CE2-CE2 3.91Å; F38-Y51 AromaticContact CZ-CD2 3.61Å; F38-Y51 HydrophobicContact CZ-CD2 3.61Å; F38-Y51 AromaticContact CZ-CE2 3.47Å; F38-Y51 HydrophobicContact CZ-CE2 3.47Å; F38-Y51 VanDerWaalsContact CZ-CE2 3.47Å; F38-T54 HydrophobicContact CB-CG2 4.07Å; F38-T54 HydrophobicContact CD1-CG2 4.23Å; F38-T54 HydrophobicContact CD2-CG2 3.29Å; F38-T54 HydrophobicContact CE2-CG2 3.61Å; F38-T54 HydrophobicContact CG-CG2 3.63Å; F38-T54 HydrophobicContact CZ-CG2 4.22Å; F38-L55 HydrophobicContact CE1-CD2 4.13Å; F38-L55 HydrophobicContact CZ-CD2 3.68Å; F38-L55 HydrophobicContact CZ-CG 4.29Å; F38-I58 HydrophobicContact CD1-CD1 4.28Å; F38-I58 HydrophobicContact CE1-CD1 4.22Å; F38-Y89 HydrophobicContact CD2-CD2 4.37Å; F38-Y89 HydrophobicContact CD2-CG 4.39Å; F38-Y89 HydrophobicContact CE2-CD2 4.35Å; F38-Y89 HydrophobicContact CE2-CG 4.06Å; F38-Y89 PolarHBondContact N-O 2.97Å; F38-Y89 PolarHBondContact O-N 3.06Å; F38-C91 HydrophobicContact CE1-CB 4.37Å; F38-F114 CarbonylContact C-O 3.48Å; F38-F114 WeakPolarHBondContact CA-O 3.47Å; F38-F114 HydrophobicContact CB-CD2 4.41Å; F38-F114 WeakPolarHBondContact CB-O 3.36Å; F38-I115 HydrophobicContact CB-CD1 3.95Å; F38-S116 PolarHBondContact N-OG 3.48Å
39	H	84.8	Confident	79.1	Confident	68 Å²	68	66.9 Å²	66.9	32%	0.315	34%	0.344	S	S	.	.			trans	-145.8	155.1	-177.9	64.3	83.5	0	0	0	111.4	F50 F114	H39-F50 WeakPolarHBondContact O-CZ 3.49Å; H39-F114 PolarHBondContact N-O 2.98Å
40	P	80.8	Confident	80	Confident	29 Å²	29	66.1 Å²	66.1	19%	0.188	33%	0.331	C	S	.	.			trans	-59.9	139.3	173.6	-16.6	28.1	0	0	0	111.1	F50 V87 Y89	P40-F50 HydrophobicContact CB-CD1 4.06Å; P40-F50 HydrophobicContact CB-CD2 4.28Å; P40-F50 HydrophobicContact CB-CE1 4.24Å; P40-F50 HydrophobicContact CB-CE2 4.45Å; P40-F50 HydrophobicContact CB-CG 4.09Å; P40-F50 HydrophobicContact CB-CZ 4.45Å; P40-F50 HydrophobicContact CG-CD1 3.58Å; P40-F50 HydrophobicContact CG-CE1 3.86Å; P40-F50 HydrophobicContact CG-CG 4.04Å; P40-V87 WeakPolarHBondContact CD-O 3.37Å; P40-Y89 HydrophobicContact CG-CE2 4.18Å
41	I	72.1	Confident	80.4	Confident	95 Å²	95	61 Å²	61	49%	0.487	31%	0.311	S	S	.	.	S	Bend	trans	-89.7	-31.9	172.2	-56.2	158	0	0	0	110.3	S113 F114	I41-S113 WeakPolarHBondContact CD1-OG 3.16Å; I41-F114 HydrophobicContact CD1-CB 3.81Å; I41-F114 HydrophobicContact CD1-CD1 4.4Å; I41-F114 HydrophobicContact CG1-CB 4.02Å
42	T	69.5	Low	80.6	Confident	72 Å²	72	61.1 Å²	61.1	44%	0.442	31%	0.312	S	S	.	.			trans	-123.1	148	-179.2	63.9	0	0	0	0	110.7	E44	T42-E44 PolarHBondContact O-N 3.39Å
43	H	66.9	Low	80.9	Confident	188 Å²	188	63.8 Å²	63.8	87%	0.87	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	7.7	176.4	-68.2	-69	0	0	0	113.4
44	E	61.6	Low	81	Confident	180 Å²	180	63.1 Å²	63.1	84%	0.841	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-25.2	-172.3	-66	-174.4	166.5	0	0	113.4	T42	T42-E44 PolarHBondContact O-N 3.39Å
45	Q	63.4	Low	81.2	Confident	73 Å²	73	64 Å²	64	34%	0.341	32%	0.324	S	S	.	.	S	Bend	trans	-99	150.2	-178	-65.7	-177.5	-7.9	0	0	111.7	N47	Q45-N47 PolarHBondContact O-N 2.87Å
46	S	74.4	Confident	81.4	Confident	67 Å²	67	69 Å²	69	47%	0.469	35%	0.347	S	S	.	.			trans	-62	136.5	168.9	76.8	0	0	0	0	109.9	N48 Q49 F50	S46-N48 PolarHBondContact O-N 3.09Å; S46-Q49 WeakPolarHBondContact O-CB 3.13Å; S46-Q49 PolarHBondContact O-N 3.14Å; S46-Q49 WeakPolarHBondContact OG-CB 3.39Å; S46-Q49 PolarHBondContact OG-N 3.23Å; S46-F50 PolarHBondContact O-N 2.76Å
47	N	78.4	Confident	81.5	Confident	80 Å²	80	72.2 Å²	72.2	43%	0.428	36%	0.362	S	S	.	.	H	α-helix	trans	-44.7	-40.7	176.8	-88.2	2.4	0	0	0	113.6	Q45 Y51 Y89	Q45-N47 PolarHBondContact O-N 2.87Å; N47-Y51 WeakPolarHBondContact O-CB 3.49Å; N47-Y51 PolarHBondContact O-N 3.2Å; N47-Y51 VanDerWaalsContact O-N 3.13Å; N47-Y89 WeakPolarHBondContact CB-OH 3.45Å; N47-Y89 PolarHBondContact O-OH 2.97Å
48	N	80.5	Confident	81.6	Confident	106 Å²	106	71.4 Å²	71.4	57%	0.567	36%	0.358	S	S	*	.	H	α-helix	trans	-74.2	-37.2	179.8	-159	18.6	0	0	0	112.9	S46 Y51 I52	S46-N48 PolarHBondContact O-N 3.09Å; N48-Y51 PolarHBondContact O-N 3.08Å; N48-I52 WeakPolarHBondContact O-CG1 3.46Å; N48-I52 PolarHBondContact O-N 2.87Å; N48-I52 VanDerWaalsContact O-N 3.09Å
49	Q	84.5	Confident	81.8	Confident	95 Å²	95	74 Å²	74	44%	0.444	37%	0.371	S	S	.	.	H	α-helix	trans	-66.9	-43.8	176.7	-178	176.8	-6.7	0	0	111.4	S46 Y51 I52 Q53	S46-Q49 WeakPolarHBondContact O-CB 3.13Å; S46-Q49 PolarHBondContact O-N 3.14Å; S46-Q49 WeakPolarHBondContact OG-CB 3.39Å; S46-Q49 PolarHBondContact OG-N 3.23Å; Q49-Y51 VanDerWaalsContact C-N 3.32Å; Q49-Y51 PolarHBondContact O-N 3.13Å; Q49-I52 PolarHBondContact O-N 3.07Å; Q49-Q53 HydrophobicContact CG-CG 4.47Å; Q49-Q53 WeakPolarHBondContact O-CB 3.44Å; Q49-Q53 VanDerWaalsContact O-CG 3.3Å; Q49-Q53 WeakPolarHBondContact O-CG 3.4Å; Q49-Q53 PolarHBondContact O-N 2.81Å
50	F	85.6	Confident	82.2	Confident	19 Å²	19	75 Å²	75	8%	0.083	38%	0.375	C	S	.	.	H	α-helix	trans	-58.3	-45.2	174	170	-95.5	0	0	0	111.5	F38 H39 P40 S46 I52 Q53 T54 Y89 F114	F38-F50 AromaticContact CD2-CE1 3.96Å; F38-F50 HydrophobicContact CD2-CE1 3.96Å; F38-F50 HydrophobicContact CD2-CZ 4.37Å; H39-F50 WeakPolarHBondContact O-CZ 3.49Å; P40-F50 HydrophobicContact CB-CD1 4.06Å; P40-F50 HydrophobicContact CB-CD2 4.28Å; P40-F50 HydrophobicContact CB-CE1 4.24Å; P40-F50 HydrophobicContact CB-CE2 4.45Å; P40-F50 HydrophobicContact CB-CG 4.09Å; P40-F50 HydrophobicContact CB-CZ 4.45Å; P40-F50 HydrophobicContact CG-CD1 3.58Å; P40-F50 HydrophobicContact CG-CE1 3.86Å; P40-F50 HydrophobicContact CG-CG 4.04Å; S46-F50 PolarHBondContact O-N 2.76Å; F50-I52 PolarHBondContact O-N 3.44Å; F50-Q53 PolarHBondContact O-N 3.28Å; F50-T54 WeakPolarHBondContact CE2-OG1 3.49Å; F50-T54 WeakPolarHBondContact CZ-OG1 3.41Å; F50-T54 WeakPolarHBondContact O-CB 3.47Å; F50-T54 PolarHBondContact O-N 3.13Å; F50-T54 PolarHBondContact O-OG1 2.8Å; F50-Y89 HydrophobicContact CD1-CD2 4.1Å; F50-Y89 AromaticContact CD1-CE2 3.92Å; F50-Y89 HydrophobicContact CD1-CE2 3.92Å; F50-Y89 HydrophobicContact CE1-CD2 4.01Å; F50-Y89 HydrophobicContact CE1-CE2 4.26Å; F50-F114 HydrophobicContact CE2-CB 4.21Å; F50-F114 HydrophobicContact CZ-CB 4.02Å
51	Y	87.1	Confident	82.7	Confident	29 Å²	29	75.1 Å²	75.1	11%	0.114	37%	0.372	C	S	.	.	H	α-helix	trans	-56.4	-52.5	178	-178	-114.1	0	0	0	111.5	F38 N47 N48 Q49 Q53 T54 L55 T74 R75 Y89	F38-Y51 AromaticContact CE2-CD2 3.52Å; F38-Y51 HydrophobicContact CE2-CD2 3.52Å; F38-Y51 AromaticContact CE2-CE2 3.91Å; F38-Y51 HydrophobicContact CE2-CE2 3.91Å; F38-Y51 AromaticContact CZ-CD2 3.61Å; F38-Y51 HydrophobicContact CZ-CD2 3.61Å; F38-Y51 AromaticContact CZ-CE2 3.47Å; F38-Y51 HydrophobicContact CZ-CE2 3.47Å; F38-Y51 VanDerWaalsContact CZ-CE2 3.47Å; N47-Y51 WeakPolarHBondContact O-CB 3.49Å; N47-Y51 PolarHBondContact O-N 3.2Å; N47-Y51 VanDerWaalsContact O-N 3.13Å; N48-Y51 PolarHBondContact O-N 3.08Å; Q49-Y51 VanDerWaalsContact C-N 3.32Å; Q49-Y51 PolarHBondContact O-N 3.13Å; Y51-Q53 PolarHBondContact O-N 3.17Å; Y51-T54 PolarHBondContact O-N 3.06Å; Y51-L55 HydrophobicContact CD1-CD1 4.05Å; Y51-L55 HydrophobicContact CE1-CD1 3.57Å; Y51-L55 HydrophobicContact CE1-CG 4.45Å; Y51-L55 HydrophobicContact CE2-CD1 4.3Å; Y51-L55 HydrophobicContact CE2-CD2 4.36Å; Y51-L55 HydrophobicContact CE2-CG 4.42Å; Y51-L55 WeakPolarHBondContact O-CG 3.31Å; Y51-L55 PolarHBondContact O-N 3Å; Y51-T74 HydrophobicContact CE1-CG2 4.4Å; Y51-T74 WeakPolarHBondContact OH-CA 3.29Å; Y51-T74 WeakPolarHBondContact OH-CB 3.12Å; Y51-R75 PolarHBondContact OH-N 3.2Å; Y51-R75 PolarHBondContact OH-O 3.24Å; Y51-Y89 AromaticContact CD2-CD1 3.26Å; Y51-Y89 HydrophobicContact CD2-CD1 3.26Å; Y51-Y89 HydrophobicContact CD2-CD2 4.29Å; Y51-Y89 AromaticContact CD2-CE1 3.94Å; Y51-Y89 HydrophobicContact CD2-CE1 3.94Å; Y51-Y89 AromaticContact CD2-CG 3.47Å; Y51-Y89 HydrophobicContact CD2-CG 3.47Å; Y51-Y89 VanDerWaalsContact CD2-CG 3.47Å; Y51-Y89 AromaticContact CE2-CD1 3.74Å; Y51-Y89 HydrophobicContact CE2-CD1 3.74Å; Y51-Y89 HydrophobicContact CE2-CG 4.03Å; Y51-Y89 AromaticContact CG-CD1 3.97Å; Y51-Y89 HydrophobicContact CG-CD1 3.97Å; Y51-Y89 HydrophobicContact CG-CE1 4.19Å; Y51-Y89 HydrophobicContact CG-CG 4.41Å
52	I	88.1	Confident	83.6	Confident	101 Å²	101	70.8 Å²	70.8	52%	0.518	35%	0.349	S	S	.	.	H	α-helix	trans	-64	-42.5	-178.9	-65.9	169	0	0	0	111.8	N48 Q49 F50 T54 L55 H56	N48-I52 WeakPolarHBondContact O-CG1 3.46Å; N48-I52 PolarHBondContact O-N 2.87Å; N48-I52 VanDerWaalsContact O-N 3.09Å; Q49-I52 PolarHBondContact O-N 3.07Å; F50-I52 PolarHBondContact O-N 3.44Å; I52-T54 VanDerWaalsContact C-N 3.32Å; I52-T54 PolarHBondContact O-N 3.32Å; I52-L55 PolarHBondContact O-N 3.17Å; I52-H56 PolarHBondContact O-N 2.87Å
53	Q	89.4	Confident	84.6	Confident	82 Å²	82	73.1 Å²	73.1	38%	0.383	36%	0.358	S	S	.	.	H	α-helix	trans	-62.7	-40.7	177.9	-74.8	179.8	-5.5	0	0	111.7	Q49 F50 Y51 H56 E57	Q49-Q53 HydrophobicContact CG-CG 4.47Å; Q49-Q53 WeakPolarHBondContact O-CB 3.44Å; Q49-Q53 VanDerWaalsContact O-CG 3.3Å; Q49-Q53 WeakPolarHBondContact O-CG 3.4Å; Q49-Q53 PolarHBondContact O-N 2.81Å; F50-Q53 PolarHBondContact O-N 3.28Å; Y51-Q53 PolarHBondContact O-N 3.17Å; Q53-H56 WeakPolarHBondContact O-CB 3.11Å; Q53-H56 PolarHBondContact O-N 3.34Å; Q53-E57 PolarHBondContact O-N 3.41Å
54	T	90.2	Very high	85.6	Confident	5 Å²	5	69.1 Å²	69.1	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-66	-43.4	178.1	-55.5	0	0	0	0	111.7	F38 F50 Y51 I52 H56 E57 I58 F114	F38-T54 HydrophobicContact CB-CG2 4.07Å; F38-T54 HydrophobicContact CD1-CG2 4.23Å; F38-T54 HydrophobicContact CD2-CG2 3.29Å; F38-T54 HydrophobicContact CE2-CG2 3.61Å; F38-T54 HydrophobicContact CG-CG2 3.63Å; F38-T54 HydrophobicContact CZ-CG2 4.22Å; F50-T54 WeakPolarHBondContact CE2-OG1 3.49Å; F50-T54 WeakPolarHBondContact CZ-OG1 3.41Å; F50-T54 WeakPolarHBondContact O-CB 3.47Å; F50-T54 PolarHBondContact O-N 3.13Å; F50-T54 PolarHBondContact O-OG1 2.8Å; Y51-T54 PolarHBondContact O-N 3.06Å; I52-T54 VanDerWaalsContact C-N 3.32Å; I52-T54 PolarHBondContact O-N 3.32Å; T54-H56 VanDerWaalsContact C-N 3.28Å; T54-H56 PolarHBondContact O-N 3.13Å; T54-E57 PolarHBondContact O-N 2.94Å; T54-I58 HydrophobicContact CG2-CD1 4.04Å; T54-I58 VanDerWaalsContact O-CG1 3.31Å; T54-I58 WeakPolarHBondContact O-CG1 3.09Å; T54-I58 PolarHBondContact O-N 3.19Å; T54-F114 HydrophobicContact CG2-CD2 3.54Å; T54-F114 HydrophobicContact CG2-CE2 3.54Å
55	L	92.1	Very high	86.7	Confident	17 Å²	17	62 Å²	62	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-38.6	174.5	-64.8	179.3	0	0	0	111.8	F38 Y51 I52 I58 L59 F72 T74 C91	F38-L55 HydrophobicContact CE1-CD2 4.13Å; F38-L55 HydrophobicContact CZ-CD2 3.68Å; F38-L55 HydrophobicContact CZ-CG 4.29Å; Y51-L55 HydrophobicContact CD1-CD1 4.05Å; Y51-L55 HydrophobicContact CE1-CD1 3.57Å; Y51-L55 HydrophobicContact CE1-CG 4.45Å; Y51-L55 HydrophobicContact CE2-CD1 4.3Å; Y51-L55 HydrophobicContact CE2-CD2 4.36Å; Y51-L55 HydrophobicContact CE2-CG 4.42Å; Y51-L55 WeakPolarHBondContact O-CG 3.31Å; Y51-L55 PolarHBondContact O-N 3Å; I52-L55 PolarHBondContact O-N 3.17Å; L55-I58 PolarHBondContact O-N 2.88Å; L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.27Å; L55-F72 HydrophobicContact CB-CZ 4.22Å; L55-F72 HydrophobicContact CD2-CE1 4.45Å; L55-F72 HydrophobicContact CD2-CZ 3.83Å; L55-F72 HydrophobicContact CG-CZ 4.4Å; L55-T74 HydrophobicContact CD1-CG2 3.66Å; L55-C91 HydrophobicContact CD2-CB 3.63Å
56	H	92.5	Very high	87.8	Confident	127 Å²	127	66.3 Å²	66.3	59%	0.588	33%	0.327	S	S	*	.	H	α-helix	trans	-61.5	-48.8	175.5	-168.6	131.1	0	0	0	111.2	I52 Q53 T54 I58 L59 K60	I52-H56 PolarHBondContact O-N 2.87Å; Q53-H56 WeakPolarHBondContact O-CB 3.11Å; Q53-H56 PolarHBondContact O-N 3.34Å; T54-H56 VanDerWaalsContact C-N 3.28Å; T54-H56 PolarHBondContact O-N 3.13Å; H56-I58 VanDerWaalsContact C-N 3.34Å; H56-I58 PolarHBondContact O-N 3.44Å; H56-L59 PolarHBondContact O-N 3.02Å; H56-K60 WeakPolarHBondContact O-CB 3.37Å; H56-K60 PolarHBondContact O-N 3.45Å
57	E	91.9	Very high	88.5	Confident	67 Å²	67	63.9 Å²	63.9	31%	0.313	31%	0.308	S	S	.	.	H	α-helix	trans	-60.2	-42.8	177.5	-78.3	-63	150.4	0	0	111.9	Q53 T54 L59 K60 Y61 F114	Q53-E57 PolarHBondContact O-N 3.41Å; T54-E57 PolarHBondContact O-N 2.94Å; E57-L59 PolarHBondContact O-N 3.32Å; E57-K60 WeakPolarHBondContact O-CB 3.41Å; E57-K60 PolarHBondContact O-N 3.44Å; E57-Y61 HydrophobicContact CB-CE2 4.44Å; E57-Y61 WeakPolarHBondContact O-CD2 3.45Å; E57-Y61 PolarHBondContact O-N 3.39Å; E57-F114 HydrophobicContact CB-CZ 4.43Å
58	I	92.1	Very high	89.1	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-46.5	176.1	-66.1	165.6	0	0	0	111.5	I36 F38 T54 L55 H56 K60 Y61 I62 I93 L109 I115	I36-I58 HydrophobicContact CB-CD1 4.48Å; I36-I58 HydrophobicContact CD1-CD1 4.28Å; I36-I58 HydrophobicContact CD1-CG2 3.67Å; I36-I58 HydrophobicContact CG2-CD1 3.92Å; F38-I58 HydrophobicContact CD1-CD1 4.28Å; F38-I58 HydrophobicContact CE1-CD1 4.22Å; T54-I58 HydrophobicContact CG2-CD1 4.04Å; T54-I58 VanDerWaalsContact O-CG1 3.31Å; T54-I58 WeakPolarHBondContact O-CG1 3.09Å; T54-I58 PolarHBondContact O-N 3.19Å; L55-I58 PolarHBondContact O-N 2.88Å; H56-I58 VanDerWaalsContact C-N 3.34Å; H56-I58 PolarHBondContact O-N 3.44Å; I58-K60 VanDerWaalsContact C-N 3.3Å; I58-K60 PolarHBondContact O-N 3.11Å; I58-Y61 PolarHBondContact O-N 3.05Å; I58-I62 HydrophobicContact CG2-CD1 4.23Å; I58-I62 WeakPolarHBondContact O-CG1 3.15Å; I58-I62 PolarHBondContact O-N 3.46Å; I58-I93 HydrophobicContact CG2-CD1 3.28Å; I58-L109 HydrophobicContact CG1-CD2 4.08Å; I58-L109 HydrophobicContact CG2-CD2 4.38Å; I58-I115 HydrophobicContact CD1-CD1 4.44Å
59	L	92.9	Very high	89.7	Confident	54 Å²	54	62.3 Å²	62.3	28%	0.283	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-37.2	176.7	-74.9	172.2	0	0	0	112.1	L55 H56 E57 I62 I63 L69 F72	L55-L59 WeakPolarHBondContact O-CG 3.4Å; L55-L59 PolarHBondContact O-N 3.27Å; H56-L59 PolarHBondContact O-N 3.02Å; E57-L59 PolarHBondContact O-N 3.32Å; L59-I62 HydrophobicContact CD2-CD1 4.47Å; L59-I62 WeakPolarHBondContact O-CB 3.19Å; L59-I62 PolarHBondContact O-N 2.84Å; L59-I63 VanDerWaalsContact O-CG1 3.28Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 2.93Å; L59-L69 HydrophobicContact CD2-CD2 3.73Å; L59-F72 HydrophobicContact CD1-CE2 4.32Å; L59-F72 HydrophobicContact CD1-CZ 4.24Å; L59-F72 HydrophobicContact CD2-CD2 3.64Å; L59-F72 HydrophobicContact CD2-CE2 3.63Å; L59-F72 HydrophobicContact CD2-CG 4.37Å; L59-F72 HydrophobicContact CD2-CZ 4.34Å; L59-F72 HydrophobicContact CG-CD2 4.33Å; L59-F72 HydrophobicContact CG-CE2 3.81Å; L59-F72 HydrophobicContact CG-CZ 4.17Å
60	K	92.9	Very high	89.9	Confident	89 Å²	89	61.4 Å²	61.4	39%	0.387	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-43.4	176.1	-173.7	-177.5	171	-166.4	0	111.5	H56 E57 I58 I62 I63 D64	H56-K60 WeakPolarHBondContact O-CB 3.37Å; H56-K60 PolarHBondContact O-N 3.45Å; E57-K60 WeakPolarHBondContact O-CB 3.41Å; E57-K60 PolarHBondContact O-N 3.44Å; I58-K60 VanDerWaalsContact C-N 3.3Å; I58-K60 PolarHBondContact O-N 3.11Å; K60-I62 VanDerWaalsContact C-N 3.28Å; K60-I62 PolarHBondContact O-N 2.99Å; K60-I63 PolarHBondContact O-N 3.44Å; K60-I63 VanDerWaalsContact O-N 3.17Å; K60-D64 WeakPolarHBondContact O-CB 3.37Å; K60-D64 VanDerWaalsContact O-CG 3.26Å; K60-D64 PolarHBondContact O-N 3.28Å
61	Y	91.5	Very high	90.1	Very high	32 Å²	32	64.3 Å²	64.3	13%	0.125	31%	0.314	C	S	.	.	H	α-helix	trans	-60.2	-37.6	174.4	-66.3	-51.3	0	0	0	113.2	E57 I58 K65 E108 L109 N112	E57-Y61 HydrophobicContact CB-CE2 4.44Å; E57-Y61 WeakPolarHBondContact O-CD2 3.45Å; E57-Y61 PolarHBondContact O-N 3.39Å; I58-Y61 PolarHBondContact O-N 3.05Å; Y61-K65 WeakPolarHBondContact O-CB 3.35Å; Y61-K65 WeakPolarHBondContact O-CG 3.37Å; Y61-K65 PolarHBondContact O-N 3.44Å; Y61-E108 HydrophobicContact CD1-CG 3.37Å; Y61-E108 HydrophobicContact CE1-CG 3.41Å; Y61-E108 VanDerWaalsContact CE1-CG 3.41Å; Y61-E108 HydrophobicContact CG-CG 3.97Å; Y61-L109 HydrophobicContact CD2-CD2 3.83Å; Y61-L109 HydrophobicContact CE2-CD2 4.39Å; Y61-N112 WeakPolarHBondContact CE2-ND2 3.31Å; Y61-N112 PolarHBondContact OH-ND2 2.87Å; Y61-N112 PolarHBondContact OH-OD1 3.42Å
62	I	90.9	Very high	90.4	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-66.1	-43.5	176.4	-67.6	165	0	0	0	110.4	I58 L59 K60 K66 L67 L69 I93 L95 L105	I58-I62 HydrophobicContact CG2-CD1 4.23Å; I58-I62 WeakPolarHBondContact O-CG1 3.15Å; I58-I62 PolarHBondContact O-N 3.46Å; L59-I62 HydrophobicContact CD2-CD1 4.47Å; L59-I62 WeakPolarHBondContact O-CB 3.19Å; L59-I62 PolarHBondContact O-N 2.84Å; K60-I62 VanDerWaalsContact C-N 3.28Å; K60-I62 PolarHBondContact O-N 2.99Å; I62-K66 PolarHBondContact O-N 3.34Å; I62-L67 HydrophobicContact CG2-CB 4.06Å; I62-L67 PolarHBondContact O-N 2.92Å; I62-L69 HydrophobicContact CD1-CD1 4.43Å; I62-L69 HydrophobicContact CG2-CB 4.21Å; I62-I93 HydrophobicContact CD1-CD1 3.74Å; I62-I93 HydrophobicContact CD1-CG2 3.8Å; I62-L95 HydrophobicContact CD1-CD2 4.13Å; I62-L95 HydrophobicContact CG1-CD2 4.26Å; I62-L95 HydrophobicContact CG2-CD2 3.88Å; I62-L105 HydrophobicContact CG1-CD1 4.3Å
63	I	90	Very high	90.5	Very high	120 Å²	120	64.9 Å²	64.9	62%	0.615	32%	0.315	S	S	*	.	H	α-helix	trans	-65.5	-49	177.9	-68.4	164.6	0	0	0	111.1	L59 K60 K65 K66	L59-I63 VanDerWaalsContact O-CG1 3.28Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 2.93Å; K60-I63 PolarHBondContact O-N 3.44Å; K60-I63 VanDerWaalsContact O-N 3.17Å; I63-K65 VanDerWaalsContact C-N 3.26Å; I63-K65 PolarHBondContact O-N 2.85Å; I63-K66 WeakPolarHBondContact O-CA 3.5Å; I63-K66 PolarHBondContact O-N 3.46Å
64	D	88.3	Confident	90.4	Very high	104 Å²	104	64.8 Å²	64.8	56%	0.556	32%	0.32	S	S	*	.	H	α-helix	trans	-60.8	-36.9	-177.4	-72.8	-14.5	0	0	0	111.5	K60 K66	K60-D64 WeakPolarHBondContact O-CB 3.37Å; K60-D64 VanDerWaalsContact O-CG 3.26Å; K60-D64 PolarHBondContact O-N 3.28Å; D64-K66 VanDerWaalsContact C-N 3.3Å
65	K	85	Confident	90.1	Very high	32 Å²	32	69.1 Å²	69.1	14%	0.139	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	3.7	176.1	-62.8	-174.5	-161.8	-69.8	0	113.6	Y61 I63 L67 L104 L105 E108	Y61-K65 WeakPolarHBondContact O-CB 3.35Å; Y61-K65 WeakPolarHBondContact O-CG 3.37Å; Y61-K65 PolarHBondContact O-N 3.44Å; I63-K65 VanDerWaalsContact C-N 3.26Å; I63-K65 PolarHBondContact O-N 2.85Å; K65-L67 HydrophobicContact CB-CD1 4.19Å; K65-L67 HydrophobicContact CB-CD2 4.14Å; K65-L67 HydrophobicContact CB-CG 3.84Å; K65-L67 PolarHBondContact O-N 2.9Å; K65-L104 HydrophobicContact CD-CB 4.25Å; K65-L104 VanDerWaalsContact CE-O 3.29Å; K65-L104 WeakPolarHBondContact CE-O 3.36Å; K65-L104 PolarHBondContact NZ-O 3.2Å; K65-L105 HydrophobicContact CD-CB 4.4Å; K65-E108 IonicContact NZ-OE2 3.89Å; K65-E108 PolarHBondContact NZ-OE2 2.92Å
66	K	86	Confident	89.3	Confident	163 Å²	163	73.5 Å²	73.5	71%	0.709	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	41	-179.1	-58.1	-178.9	-178.9	176.6	0	113.1	I62 I63 D64	I62-K66 PolarHBondContact O-N 3.34Å; I63-K66 WeakPolarHBondContact O-CA 3.5Å; I63-K66 PolarHBondContact O-N 3.46Å; D64-K66 VanDerWaalsContact C-N 3.3Å
67	L	89.6	Confident	88.3	Confident	16 Å²	16	70.7 Å²	70.7	8%	0.084	36%	0.357	C	S	.	.			trans	-81.3	141.2	179.2	-53.3	-180	0	0	0	110.1	I62 K65 L69 L95 A97 N101 L105	I62-L67 HydrophobicContact CG2-CB 4.06Å; I62-L67 PolarHBondContact O-N 2.92Å; K65-L67 HydrophobicContact CB-CD1 4.19Å; K65-L67 HydrophobicContact CB-CD2 4.14Å; K65-L67 HydrophobicContact CB-CG 3.84Å; K65-L67 PolarHBondContact O-N 2.9Å; L67-L69 PolarHBondContact O-N 3.35Å; L67-L95 HydrophobicContact CB-CD2 4.41Å; L67-L95 HydrophobicContact CD1-CD1 4.09Å; L67-A97 HydrophobicContact CD2-CB 4.21Å; L67-N101 HydrophobicContact CD2-CB 3.6Å; L67-L105 HydrophobicContact CD1-CB 3.97Å; L67-L105 HydrophobicContact CD1-CD1 4.18Å; L67-L105 HydrophobicContact CD1-CD2 3.77Å; L67-L105 HydrophobicContact CD1-CG 4.18Å
68	N	90.1	Very high	87	Confident	86 Å²	86	71.2 Å²	71.2	46%	0.46	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	110.5	176.9	-174.5	23.7	0	0	0	109.7	V70 L95 E96	N68-V70 PolarHBondContact O-N 3.48Å; N68-L95 CarbonylContact O-C 3.41Å; N68-L95 VanDerWaalsContact O-CA 3.29Å; N68-L95 WeakPolarHBondContact O-CA 3.48Å; N68-E96 HydrophobicContact CB-CB 4.08Å; N68-E96 WeakPolarHBondContact CB-O 3.46Å; N68-E96 PolarHBondContact ND2-OE2 2.96Å; N68-E96 PolarHBondContact O-N 3.08Å
69	L	92.5	Very high	85.3	Confident	66 Å²	66	77.5 Å²	77.5	35%	0.346	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	111	176.7	-178.9	63.2	0	0	0	110.2	L59 I62 L67 H71 F72 I93 L95	L59-L69 HydrophobicContact CD2-CD2 3.73Å; I62-L69 HydrophobicContact CD1-CD1 4.43Å; I62-L69 HydrophobicContact CG2-CB 4.21Å; L67-L69 PolarHBondContact O-N 3.35Å; L69-H71 WeakPolarHBondContact CD1-O 3.43Å; L69-F72 HydrophobicContact CD1-CB 4.32Å; L69-F72 HydrophobicContact CD2-CB 4.25Å; L69-I93 HydrophobicContact CD1-CG2 3.46Å; L69-I93 VanDerWaalsContact CD1-CG2 3.46Å; L69-L95 HydrophobicContact CB-CD2 4.28Å; L69-L95 HydrophobicContact CD1-CD2 3.7Å
70	V	89.1	Confident	83.3	Confident	77 Å²	77	79.9 Å²	79.9	47%	0.467	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-41.8	-178.8	-180	0	0	0	0	111.4	N68 T94 E96	N68-V70 PolarHBondContact O-N 3.48Å; V70-T94 HydrophobicContact CB-CG2 4.16Å; V70-T94 HydrophobicContact CG1-CG2 4.43Å; V70-T94 PolarHBondContact N-O 3.26Å; V70-E96 HydrophobicContact CG2-CB 3.81Å
71	H	89.8	Confident	80.9	Confident	80 Å²	80	80.8 Å²	80.8	37%	0.37	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	144	-179.2	-176.3	59.8	0	0	0	110.6	L69 E73 I93 T94	L69-H71 WeakPolarHBondContact CD1-O 3.43Å; H71-E73 IonicContact CE1-OE2 3.32Å; H71-E73 WeakPolarHBondContact NE2-CB 3.47Å; H71-E73 IonicContact NE2-OE2 2.81Å; H71-E73 PolarHBondContact NE2-OE2 2.8Å; H71-I93 WeakPolarHBondContact O-CA 3.25Å; H71-T94 PolarHBondContact N-O 2.96Å; H71-T94 VanDerWaalsContact N-O 3.11Å; H71-T94 PolarHBondContact O-N 3.32Å
72	F	93.4	Very high	78.5	Confident	58 Å²	58	86.3 Å²	86.3	25%	0.254	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	123.6	172.5	-173.4	-84.5	0	0	0	109.1	L55 L59 L69 T74 L92 I93	L55-F72 HydrophobicContact CB-CZ 4.22Å; L55-F72 HydrophobicContact CD2-CE1 4.45Å; L55-F72 HydrophobicContact CD2-CZ 3.83Å; L55-F72 HydrophobicContact CG-CZ 4.4Å; L59-F72 HydrophobicContact CD1-CE2 4.32Å; L59-F72 HydrophobicContact CD1-CZ 4.24Å; L59-F72 HydrophobicContact CD2-CD2 3.64Å; L59-F72 HydrophobicContact CD2-CE2 3.63Å; L59-F72 HydrophobicContact CD2-CG 4.37Å; L59-F72 HydrophobicContact CD2-CZ 4.34Å; L59-F72 HydrophobicContact CG-CD2 4.33Å; L59-F72 HydrophobicContact CG-CE2 3.81Å; L59-F72 HydrophobicContact CG-CZ 4.17Å; L69-F72 HydrophobicContact CD1-CB 4.32Å; L69-F72 HydrophobicContact CD2-CB 4.25Å; F72-T74 HydrophobicContact CE1-CG2 4.05Å; F72-L92 WeakPolarHBondContact CA-O 3.45Å; F72-I93 HydrophobicContact CD2-CD1 3.82Å; F72-I93 HydrophobicContact CD2-CG1 3.75Å; F72-I93 HydrophobicContact CE2-CD1 3.64Å; F72-I93 HydrophobicContact CE2-CG1 3.93Å
73	E	90.4	Very high	76.6	Confident	83 Å²	83	91.2 Å²	91.2	39%	0.388	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	121.1	-176.3	173.5	-176.3	154.4	0	0	110.5	H71 C91 L92	H71-E73 IonicContact CE1-OE2 3.32Å; H71-E73 WeakPolarHBondContact NE2-CB 3.47Å; H71-E73 IonicContact NE2-OE2 2.81Å; H71-E73 PolarHBondContact NE2-OE2 2.8Å; E73-C91 CarbonylContact O-C 3.55Å; E73-C91 WeakPolarHBondContact O-CA 3.48Å; E73-L92 HydrophobicContact CB-CB 4.13Å; E73-L92 PolarHBondContact N-O 3.25Å; E73-L92 PolarHBondContact O-N 3.04Å
74	T	88.4	Confident	74.4	Confident	80 Å²	80	90.9 Å²	90.9	49%	0.491	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	133.6	169.3	52.8	0	0	0	0	109.8	Y51 L55 F72	Y51-T74 HydrophobicContact CE1-CG2 4.4Å; Y51-T74 WeakPolarHBondContact OH-CA 3.29Å; Y51-T74 WeakPolarHBondContact OH-CB 3.12Å; L55-T74 HydrophobicContact CD1-CG2 3.66Å; F72-T74 HydrophobicContact CE1-CG2 4.05Å
75	R	82.7	Confident	72.4	Confident	96 Å²	96	97.5 Å²	97.5	36%	0.362	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	147.5	176.3	-62	-174	70.1	-177.2	0.9	111.2	I35 Y51 S90	I35-R75 VanDerWaalsContact CD1-NH1 3.33Å; Y51-R75 PolarHBondContact OH-N 3.2Å; Y51-R75 PolarHBondContact OH-O 3.24Å; R75-S90 WeakPolarHBondContact CB-O 3.29Å; R75-S90 WeakPolarHBondContact CB-OG 3.45Å; R75-S90 PolarHBondContact N-O 3.27Å; R75-S90 VanDerWaalsContact N-O 3.15Å
76	P	75.5	Confident	71.4	Confident	110 Å²	110	100.7 Å²	100.7	71%	0.714	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	153.5	178.1	26.9	-34.2	0	0	0	111.4	L78	P76-L78 PolarHBondContact O-N 2.63Å
77	T	71.7	Confident	70.4	Confident	68 Å²	68	94.8 Å²	94.8	42%	0.417	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54	130.1	177.2	-50.9	0	0	0	0	112	V87 Y89	T77-V87 HydrophobicContact CG2-CG1 3.33Å; T77-Y89 HydrophobicContact CG2-CD1 4.47Å; T77-Y89 HydrophobicContact CG2-CE1 4.19Å; T77-Y89 WeakPolarHBondContact OG1-CE1 3.09Å
78	L	64.5	Low	69.9	Low	78 Å²	78	96 Å²	96	41%	0.408	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	116.9	169.2	-66.2	168.6	0	0	0	108	P76 Q88	P76-L78 PolarHBondContact O-N 2.63Å; L78-Q88 HydrophobicContact CB-CB 4.41Å; L78-Q88 PolarHBondContact N-O 3.31Å; L78-Q88 PolarHBondContact O-N 3.47Å
79	T	55.7	Low	69.7	Low	131 Å²	131	92.5 Å²	92.5	80%	0.804	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	105.9	169.5	-27.1	0	0	0	0	106.6	S81	T79-S81 PolarHBondContact O-N 2.93Å
80	L	51.7	Low	69.6	Low	104 Å²	104	89.4 Å²	89.4	55%	0.545	49%	0.486	S	S	.	.			trans	-65.6	118.3	176.5	-76.2	155.9	0	0	0	108.8	N82	L80-N82 VanDerWaalsContact C-N 3.34Å; L80-N82 PolarHBondContact O-N 3.23Å
81	S	42.6	Very low	69.7	Low	109 Å²	109	85.8 Å²	85.8	76%	0.762	46%	0.463	S	S	*	.	S	Bend	trans	-71.1	88.9	172.3	56.5	0	0	0	0	109.2	T79	T79-S81 PolarHBondContact O-N 2.93Å
82	N	40.5	Very low	69.7	Low	147 Å²	147	83.1 Å²	83.1	79%	0.786	45%	0.452	S	S	*	.	S	Bend	trans	164.9	121.8	144.1	-83.7	-22.2	0	0	0	110.8	L80 N84	L80-N82 VanDerWaalsContact C-N 3.34Å; L80-N82 PolarHBondContact O-N 3.23Å; N82-N84 VanDerWaalsContact C-N 3.26Å; N82-N84 PolarHBondContact O-N 2.96Å
83	A	50.7	Low	69.7	Low	108 Å²	108	80.3 Å²	80.3	89%	0.893	44%	0.44	S	S	*	.	S	Bend	trans	53.9	-29.2	161.9	0	0	0	0	0	121.4
84	N	43.9	Very low	69.7	Low	113 Å²	113	77 Å²	77	60%	0.604	43%	0.425	S	S	*	.			trans	-112.5	123.1	179	-74.5	-8.8	0	0	0	110.5	N82 D86	N82-N84 VanDerWaalsContact C-N 3.26Å; N82-N84 PolarHBondContact O-N 2.96Å; N84-D86 PolarHBondContact O-N 3.21Å
85	R	46.1	Very low	69.8	Low	242 Å²	242	73.2 Å²	73.2	91%	0.913	40%	0.402	S	S	*	.			trans	-74.1	43	179.4	-68.1	-179.7	174.1	178.2	-1.7	112.3	V87	R85-V87 PolarHBondContact O-N 3.41Å
86	D	63.4	Low	70.1	Confident	99 Å²	99	72.6 Å²	72.6	53%	0.529	40%	0.403	S	S	.	.			trans	-81.5	105.6	177.7	-66.3	-30.3	0	0	0	108.5	N84 Q88	N84-D86 PolarHBondContact O-N 3.21Å; D86-Q88 PolarHBondContact O-N 2.98Å
87	V	65.6	Low	70.6	Confident	39 Å²	39	67.6 Å²	67.6	24%	0.236	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	113.4	-179.8	-178.3	0	0	0	0	108.4	P40 T77 R85 Y89	P40-V87 WeakPolarHBondContact CD-O 3.37Å; T77-V87 HydrophobicContact CG2-CG1 3.33Å; R85-V87 PolarHBondContact O-N 3.41Å; V87-Y89 HydrophobicContact CB-CE2 4.48Å; V87-Y89 HydrophobicContact CG1-CD2 4.45Å; V87-Y89 HydrophobicContact CG1-CE1 4.03Å; V87-Y89 HydrophobicContact CG1-CE2 3.69Å; V87-Y89 VanDerWaalsContact CG1-CZ 3.45Å; V87-Y89 WeakPolarHBondContact CG1-OH 3.43Å
88	Q	79.3	Confident	71.1	Confident	43 Å²	43	65.1 Å²	65.1	20%	0.201	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.9	176.9	-165.9	176	19.6	0	0	110.5	L78 D86 S116	L78-Q88 HydrophobicContact CB-CB 4.41Å; L78-Q88 PolarHBondContact N-O 3.31Å; L78-Q88 PolarHBondContact O-N 3.47Å; D86-Q88 PolarHBondContact O-N 2.98Å; Q88-S116 PolarHBondContact NE2-OG 2.97Å; Q88-S116 VanDerWaalsContact NE2-OG 3.14Å
89	Y	86.9	Confident	71.7	Confident	12 Å²	12	65 Å²	65	5%	0.047	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	155.8	176.9	-63.1	-74.3	0	0	0	110.5	N37 F38 P40 N47 F50 Y51 T77 V87	N37-Y89 WeakPolarHBondContact CA-O 3.37Å; F38-Y89 HydrophobicContact CD2-CD2 4.37Å; F38-Y89 HydrophobicContact CD2-CG 4.39Å; F38-Y89 HydrophobicContact CE2-CD2 4.35Å; F38-Y89 HydrophobicContact CE2-CG 4.06Å; F38-Y89 PolarHBondContact N-O 2.97Å; F38-Y89 PolarHBondContact O-N 3.06Å; P40-Y89 HydrophobicContact CG-CE2 4.18Å; N47-Y89 WeakPolarHBondContact CB-OH 3.45Å; N47-Y89 PolarHBondContact O-OH 2.97Å; F50-Y89 HydrophobicContact CD1-CD2 4.1Å; F50-Y89 AromaticContact CD1-CE2 3.92Å; F50-Y89 HydrophobicContact CD1-CE2 3.92Å; F50-Y89 HydrophobicContact CE1-CD2 4.01Å; F50-Y89 HydrophobicContact CE1-CE2 4.26Å; Y51-Y89 AromaticContact CD2-CD1 3.26Å; Y51-Y89 HydrophobicContact CD2-CD1 3.26Å; Y51-Y89 HydrophobicContact CD2-CD2 4.29Å; Y51-Y89 AromaticContact CD2-CE1 3.94Å; Y51-Y89 HydrophobicContact CD2-CE1 3.94Å; Y51-Y89 AromaticContact CD2-CG 3.47Å; Y51-Y89 HydrophobicContact CD2-CG 3.47Å; Y51-Y89 VanDerWaalsContact CD2-CG 3.47Å; Y51-Y89 AromaticContact CE2-CD1 3.74Å; Y51-Y89 HydrophobicContact CE2-CD1 3.74Å; Y51-Y89 HydrophobicContact CE2-CG 4.03Å; Y51-Y89 AromaticContact CG-CD1 3.97Å; Y51-Y89 HydrophobicContact CG-CD1 3.97Å; Y51-Y89 HydrophobicContact CG-CE1 4.19Å; Y51-Y89 HydrophobicContact CG-CG 4.41Å; T77-Y89 HydrophobicContact CG2-CD1 4.47Å; T77-Y89 HydrophobicContact CG2-CE1 4.19Å; T77-Y89 WeakPolarHBondContact OG1-CE1 3.09Å; V87-Y89 HydrophobicContact CB-CE2 4.48Å; V87-Y89 HydrophobicContact CG1-CD2 4.45Å; V87-Y89 HydrophobicContact CG1-CE1 4.03Å; V87-Y89 HydrophobicContact CG1-CE2 3.69Å; V87-Y89 VanDerWaalsContact CG1-CZ 3.45Å; V87-Y89 WeakPolarHBondContact CG1-OH 3.43Å
90	S	88.8	Confident	72.8	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.007	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	156.7	168.3	61.5	0	0	0	0	112.5	I36 N37 R75	I36-S90 CarbonylContact O-C 3.57Å; I36-S90 WeakPolarHBondContact O-CA 3.02Å; I36-S90 WeakPolarHBondContact O-CB 3.2Å; N37-S90 WeakPolarHBondContact OD1-CB 3.42Å; R75-S90 WeakPolarHBondContact CB-O 3.29Å; R75-S90 WeakPolarHBondContact CB-OG 3.45Å; R75-S90 PolarHBondContact N-O 3.27Å; R75-S90 VanDerWaalsContact N-O 3.15Å
91	C	91.3	Very high	74.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.6	164.9	64.6	0	0	0	0	109.7	I35 I36 F38 L55 E73	I35-C91 CarbonylContact C-O 3.46Å; I35-C91 WeakPolarHBondContact CA-O 3.28Å; I36-C91 PolarHBondContact N-O 2.95Å; I36-C91 PolarHBondContact O-N 2.93Å; F38-C91 HydrophobicContact CE1-CB 4.37Å; L55-C91 HydrophobicContact CD2-CB 3.63Å; E73-C91 CarbonylContact O-C 3.55Å; E73-C91 WeakPolarHBondContact O-CA 3.48Å
92	L	90.5	Very high	76.4	Confident	24 Å²	24	52.8 Å²	52.8	13%	0.126	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.3	171.1	165.7	56.6	0	0	0	108.5	I34 I35 F72 E73 L121	I34-L92 CarbonylContact O-C 3.52Å; I34-L92 WeakPolarHBondContact O-CA 3.24Å; I34-L92 WeakPolarHBondContact O-CD1 3.4Å; I35-L92 HydrophobicContact CG1-CD1 4.47Å; F72-L92 WeakPolarHBondContact CA-O 3.45Å; E73-L92 HydrophobicContact CB-CB 4.13Å; E73-L92 PolarHBondContact N-O 3.25Å; E73-L92 PolarHBondContact O-N 3.04Å; L92-L121 HydrophobicContact CD1-CD1 3.24Å; L92-L121 HydrophobicContact CD2-CD1 4.14Å; L92-L121 HydrophobicContact CG-CD1 4.28Å
93	I	92.3	Very high	78.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.7	176.3	-51.9	-168.3	0	0	0	108.3	S33 I34 I36 I58 I62 L69 H71 F72 L95	S33-I93 CarbonylContact C-O 3.59Å; S33-I93 WeakPolarHBondContact CA-O 3.34Å; I34-I93 HydrophobicContact CD1-CB 4.46Å; I34-I93 HydrophobicContact CG1-CB 3.97Å; I34-I93 WeakPolarHBondContact CG1-O 3.42Å; I34-I93 PolarHBondContact N-O 3.25Å; I34-I93 PolarHBondContact O-N 3.46Å; I36-I93 HydrophobicContact CD1-CD1 3.62Å; I36-I93 HydrophobicContact CD1-CG1 4.25Å; I58-I93 HydrophobicContact CG2-CD1 3.28Å; I62-I93 HydrophobicContact CD1-CD1 3.74Å; I62-I93 HydrophobicContact CD1-CG2 3.8Å; L69-I93 HydrophobicContact CD1-CG2 3.46Å; L69-I93 VanDerWaalsContact CD1-CG2 3.46Å; H71-I93 WeakPolarHBondContact O-CA 3.25Å; F72-I93 HydrophobicContact CD2-CD1 3.82Å; F72-I93 HydrophobicContact CD2-CG1 3.75Å; F72-I93 HydrophobicContact CE2-CD1 3.64Å; F72-I93 HydrophobicContact CE2-CG1 3.93Å; I93-L95 HydrophobicContact CG2-CD1 4.33Å; I93-L95 HydrophobicContact CG2-CD2 3.75Å; I93-L95 HydrophobicContact CG2-CG 3.81Å
94	T	90.7	Very high	80.1	Confident	13 Å²	13	43 Å²	43	8%	0.08	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.8	168.8	-52.8	0	0	0	0	109.3	I31 H32 S33 V70 H71	I31-T94 HydrophobicContact CG2-CG2 3.32Å; H32-T94 CarbonylContact O-C 3.59Å; H32-T94 VanDerWaalsContact O-CA 3.26Å; H32-T94 WeakPolarHBondContact O-CA 3.5Å; S33-T94 WeakPolarHBondContact OG-CG2 3.26Å; S33-T94 PolarHBondContact OG-OG1 3.46Å; S33-T94 VanDerWaalsContact OG-OG1 3.05Å; V70-T94 HydrophobicContact CB-CG2 4.16Å; V70-T94 HydrophobicContact CG1-CG2 4.43Å; V70-T94 PolarHBondContact N-O 3.26Å; H71-T94 PolarHBondContact N-O 2.96Å; H71-T94 VanDerWaalsContact N-O 3.11Å; H71-T94 PolarHBondContact O-N 3.32Å
95	L	91.5	Very high	82.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142	-177.7	-60.5	172.4	0	0	0	110	I31 H32 I62 L67 N68 L69 I93 M102 L105	I31-L95 CarbonylContact C-O 3.57Å; I31-L95 WeakPolarHBondContact CA-O 3.44Å; H32-L95 PolarHBondContact N-O 3.49Å; H32-L95 PolarHBondContact O-N 3.27Å; I62-L95 HydrophobicContact CD1-CD2 4.13Å; I62-L95 HydrophobicContact CG1-CD2 4.26Å; I62-L95 HydrophobicContact CG2-CD2 3.88Å; L67-L95 HydrophobicContact CB-CD2 4.41Å; L67-L95 HydrophobicContact CD1-CD1 4.09Å; N68-L95 CarbonylContact O-C 3.41Å; N68-L95 VanDerWaalsContact O-CA 3.29Å; N68-L95 WeakPolarHBondContact O-CA 3.48Å; L69-L95 HydrophobicContact CB-CD2 4.28Å; L69-L95 HydrophobicContact CD1-CD2 3.7Å; I93-L95 HydrophobicContact CG2-CD1 4.33Å; I93-L95 HydrophobicContact CG2-CD2 3.75Å; I93-L95 HydrophobicContact CG2-CG 3.81Å; L95-M102 HydrophobicContact CB-SD 4.21Å; L95-M102 HydrophobicContact CD1-SD 3.98Å; L95-L105 HydrophobicContact CD1-CD2 3.23Å
96	E	88.6	Confident	84	Confident	84 Å²	84	28.4 Å²	28.4	39%	0.393	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	111.4	162.3	179.7	-177.4	-154.8	0	0	108.2	R30 N68 V70	R30-E96 WeakPolarHBondContact O-CA 3.43Å; N68-E96 HydrophobicContact CB-CB 4.08Å; N68-E96 WeakPolarHBondContact CB-O 3.46Å; N68-E96 PolarHBondContact ND2-OE2 2.96Å; N68-E96 PolarHBondContact O-N 3.08Å; V70-E96 HydrophobicContact CG2-CB 3.81Å
97	A	86.6	Confident	85	Confident	5 Å²	5	27.3 Å²	27.3	4%	0.041	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	156.4	-175	0	0	0	0	0	110.5	R30 H32 L67 N101 M102	R30-A97 PolarHBondContact N-O 3.23Å; R30-A97 PolarHBondContact O-N 3.02Å; R30-A97 VanDerWaalsContact O-O 3.06Å; H32-A97 PolarHBondContact CE1-O 2.96Å; H32-A97 PolarHBondContact ND1-O 3.2Å; L67-A97 HydrophobicContact CD2-CB 4.21Å; A97-N101 HydrophobicContact CB-CB 4.16Å; A97-M102 HydrophobicContact CB-CG 3.92Å; A97-M102 HydrophobicContact CB-SD 4Å
98	N	81.2	Confident	85.9	Confident	16 Å²	16	29.3 Å²	29.3	9%	0.086	14%	0.143	C	C	.	.			trans	-78.3	166	168.7	64.9	38.3	0	0	0	110.9	N23 I100 N101 M102	N23-N98 PolarHBondContact O-ND2 2.93Å; N98-I100 PolarHBondContact O-N 3.32Å; N98-I100 PolarHBondContact OD1-N 2.81Å; N98-N101 PolarHBondContact O-N 3.45Å; N98-N101 VanDerWaalsContact OD1-CB 3.28Å; N98-N101 WeakPolarHBondContact OD1-CB 3.35Å; N98-N101 PolarHBondContact OD1-N 3.21Å; N98-N101 PolarHBondContact OD1-OD1 3.19Å; N98-M102 PolarHBondContact O-N 3.3Å
99	E	76.5	Confident	86.4	Confident	75 Å²	75	27.3 Å²	27.3	35%	0.35	13%	0.134	S	C	.	.	H	α-helix	trans	-60.4	-31.3	-176.8	-70.7	-169.1	170.6	0	0	113.8	R30 S103 S418	R30-E99 IonicContact NH1-OE1 3.59Å; E99-S103 WeakPolarHBondContact O-CB 3.16Å; E99-S103 PolarHBondContact O-N 3.01Å; E99-S103 PolarHBondContact O-OG 3.2Å; E99-S418 WeakPolarHBondContact OE1-CB 3.35Å
100	I	80.2	Confident	86.2	Confident	71 Å²	71	35.5 Å²	35.5	36%	0.364	16%	0.164	S	C	.	.	H	α-helix	trans	-66.4	-49.3	179.3	-62.9	171.7	0	0	0	109.6	N23 N98 M102 S103 L104	N23-I100 HydrophobicContact CB-CD1 4.15Å; N98-I100 PolarHBondContact O-N 3.32Å; N98-I100 PolarHBondContact OD1-N 2.81Å; I100-M102 PolarHBondContact O-N 2.95Å; I100-S103 WeakPolarHBondContact O-CB 3.37Å; I100-S103 PolarHBondContact O-N 2.92Å; I100-L104 HydrophobicContact CG2-CD1 4.19Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 3Å
101	N	85	Confident	85.9	Confident	13 Å²	13	38.6 Å²	38.6	7%	0.07	20%	0.197	C	C	.	.	H	α-helix	trans	-65.2	-40.1	-179.7	-72.8	2.8	0	0	0	111.5	L22 L67 A97 N98 L104 L105	L22-N101 WeakPolarHBondContact CD2-OD1 3.3Å; L67-N101 HydrophobicContact CD2-CB 3.6Å; A97-N101 HydrophobicContact CB-CB 4.16Å; N98-N101 PolarHBondContact O-N 3.45Å; N98-N101 VanDerWaalsContact OD1-CB 3.28Å; N98-N101 WeakPolarHBondContact OD1-CB 3.35Å; N98-N101 PolarHBondContact OD1-N 3.21Å; N98-N101 PolarHBondContact OD1-OD1 3.19Å; N101-L104 PolarHBondContact O-N 3.3Å; N101-L105 PolarHBondContact O-N 2.78Å
102	M	85	Confident	85.6	Confident	4 Å²	4	40 Å²	40	2%	0.02	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-43.9	172.3	-74.9	-58.9	-61.4	0	0	112.1	H32 I34 L95 A97 N98 I100 L104 L105 Y106	H32-M102 HydrophobicContact CB-CE 3.65Å; H32-M102 HydrophobicContact CB-CG 4.43Å; H32-M102 HydrophobicContact CB-SD 3.92Å; I34-M102 HydrophobicContact CG2-CE 4.17Å; L95-M102 HydrophobicContact CB-SD 4.21Å; L95-M102 HydrophobicContact CD1-SD 3.98Å; A97-M102 HydrophobicContact CB-CG 3.92Å; A97-M102 HydrophobicContact CB-SD 4Å; N98-M102 PolarHBondContact O-N 3.3Å; I100-M102 PolarHBondContact O-N 2.95Å; M102-L104 VanDerWaalsContact C-N 3.31Å; M102-L104 PolarHBondContact O-N 3.14Å; M102-L105 PolarHBondContact O-N 3.01Å; M102-Y106 HydrophobicContact CB-CE2 4.17Å; M102-Y106 HydrophobicContact CE-CE1 4.27Å; M102-Y106 HydrophobicContact CE-CE2 3.82Å; M102-Y106 VanDerWaalsContact CE-OH 3.32Å; M102-Y106 WeakPolarHBondContact CE-OH 3.49Å; M102-Y106 WeakPolarHBondContact O-CD2 3.34Å; M102-Y106 PolarHBondContact O-N 2.8Å
103	S	82	Confident	85.2	Confident	23 Å²	23	43.1 Å²	43.1	16%	0.161	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-41.6	177.8	-62.5	0	0	0	0	112	E99 I100 Y106 E107	E99-S103 WeakPolarHBondContact O-CB 3.16Å; E99-S103 PolarHBondContact O-N 3.01Å; E99-S103 PolarHBondContact O-OG 3.2Å; I100-S103 WeakPolarHBondContact O-CB 3.37Å; I100-S103 PolarHBondContact O-N 2.92Å; S103-Y106 PolarHBondContact O-N 2.93Å; S103-E107 PolarHBondContact O-N 3.26Å
104	L	85.5	Confident	84.9	Confident	26 Å²	26	44.4 Å²	44.4	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-68	-35.7	177.1	-71.5	167	0	0	0	112.6	L22 K65 I100 N101 M102 E108 F436	L22-L104 HydrophobicContact CD2-CD1 3.29Å; L22-L104 HydrophobicContact CG-CD1 4.42Å; K65-L104 HydrophobicContact CD-CB 4.25Å; K65-L104 VanDerWaalsContact CE-O 3.29Å; K65-L104 WeakPolarHBondContact CE-O 3.36Å; K65-L104 PolarHBondContact NZ-O 3.2Å; I100-L104 HydrophobicContact CG2-CD1 4.19Å; I100-L104 WeakPolarHBondContact O-CG 3.45Å; I100-L104 PolarHBondContact O-N 3Å; N101-L104 PolarHBondContact O-N 3.3Å; M102-L104 VanDerWaalsContact C-N 3.31Å; M102-L104 PolarHBondContact O-N 3.14Å; L104-E108 PolarHBondContact O-N 3.15Å; L104-F436 HydrophobicContact CD2-CZ 4.21Å
105	L	88.2	Confident	84.6	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-44.5	172	-178.5	67.1	0	0	0	111.3	I34 I62 K65 L67 L95 N101 M102 E108 L109	I34-L105 HydrophobicContact CD1-CD2 4.28Å; I62-L105 HydrophobicContact CG1-CD1 4.3Å; K65-L105 HydrophobicContact CD-CB 4.4Å; L67-L105 HydrophobicContact CD1-CB 3.97Å; L67-L105 HydrophobicContact CD1-CD1 4.18Å; L67-L105 HydrophobicContact CD1-CD2 3.77Å; L67-L105 HydrophobicContact CD1-CG 4.18Å; L95-L105 HydrophobicContact CD1-CD2 3.23Å; N101-L105 PolarHBondContact O-N 2.78Å; M102-L105 PolarHBondContact O-N 3.01Å; L105-E108 PolarHBondContact O-N 3.41Å; L105-L109 HydrophobicContact CD1-CD1 4.06Å; L105-L109 HydrophobicContact CD1-CG 4.14Å; L105-L109 HydrophobicContact CD2-CD1 4.29Å; L105-L109 HydrophobicContact CG-CD1 3.79Å; L105-L109 HydrophobicContact CG-CG 4.28Å; L105-L109 WeakPolarHBondContact O-CB 3.43Å; L105-L109 WeakPolarHBondContact O-CG 3.45Å; L105-L109 PolarHBondContact O-N 3.42Å
106	Y	85.5	Confident	84.2	Confident	48 Å²	48	47.5 Å²	47.5	19%	0.188	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-40.9	178.4	-69.2	-52	0	0	0	112.9	I34 M102 S103 E108 R110 I118 L120	I34-Y106 HydrophobicContact CD1-CE1 4.46Å; I34-Y106 HydrophobicContact CG2-CE1 3.92Å; I34-Y106 WeakPolarHBondContact CG2-OH 3.22Å; M102-Y106 HydrophobicContact CB-CE2 4.17Å; M102-Y106 HydrophobicContact CE-CE1 4.27Å; M102-Y106 HydrophobicContact CE-CE2 3.82Å; M102-Y106 VanDerWaalsContact CE-OH 3.32Å; M102-Y106 WeakPolarHBondContact CE-OH 3.49Å; M102-Y106 WeakPolarHBondContact O-CD2 3.34Å; M102-Y106 PolarHBondContact O-N 2.8Å; S103-Y106 PolarHBondContact O-N 2.93Å; Y106-E108 VanDerWaalsContact C-N 3.34Å; Y106-R110 VanDerWaalsContact O-CB 3.25Å; Y106-R110 WeakPolarHBondContact O-CB 3.5Å; Y106-R110 VanDerWaalsContact O-CG 3.24Å; Y106-R110 WeakPolarHBondContact O-CG 3.41Å; Y106-R110 PolarHBondContact O-N 2.92Å; Y106-I118 HydrophobicContact CD1-CD1 4.06Å; Y106-I118 HydrophobicContact CD1-CG2 3.96Å; Y106-I118 HydrophobicContact CE1-CG2 3.62Å; Y106-L120 WeakPolarHBondContact OH-CD1 3.46Å
107	E	82.7	Confident	83.9	Confident	75 Å²	75	44.5 Å²	44.5	35%	0.35	25%	0.246	S	C	.	.	H	α-helix	trans	-59.7	-45.7	174.9	-76.8	-162.7	156	0	0	111	S103 G111 K440	S103-E107 PolarHBondContact O-N 3.26Å; E107-G111 PolarHBondContact O-N 3.33Å; E107-K440 VanDerWaalsContact CD-NZ 3.33Å; E107-K440 IonicContact OE1-NZ 3.99Å; E107-K440 PolarHBondContact OE1-NZ 2.85Å; E107-K440 IonicContact OE2-NZ 2.96Å; E107-K440 PolarHBondContact OE2-NZ 3.35Å
108	E	85.9	Confident	83.9	Confident	82 Å²	82	45.3 Å²	45.3	38%	0.383	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-51.3	179.2	-158.3	77.3	-133.8	0	0	111.6	Y61 K65 L104 L105 Y106 R110 G111 N112	Y61-E108 HydrophobicContact CD1-CG 3.37Å; Y61-E108 HydrophobicContact CE1-CG 3.41Å; Y61-E108 VanDerWaalsContact CE1-CG 3.41Å; Y61-E108 HydrophobicContact CG-CG 3.97Å; K65-E108 IonicContact NZ-OE2 3.89Å; K65-E108 PolarHBondContact NZ-OE2 2.92Å; L104-E108 PolarHBondContact O-N 3.15Å; L105-E108 PolarHBondContact O-N 3.41Å; Y106-E108 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 3.21Å; E108-G111 PolarHBondContact O-N 3.24Å; E108-G111 VanDerWaalsContact O-N 3.13Å; E108-N112 PolarHBondContact O-ND2 3.28Å
109	L	88.7	Confident	83.8	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-42.7	-179.5	-69.4	173.2	0	0	0	111.5	I36 I58 Y61 L105 G111 N112 I115 I118	I36-L109 HydrophobicContact CD1-CD1 3.72Å; I36-L109 HydrophobicContact CG1-CD1 4.38Å; I58-L109 HydrophobicContact CG1-CD2 4.08Å; I58-L109 HydrophobicContact CG2-CD2 4.38Å; Y61-L109 HydrophobicContact CD2-CD2 3.83Å; Y61-L109 HydrophobicContact CE2-CD2 4.39Å; L105-L109 HydrophobicContact CD1-CD1 4.06Å; L105-L109 HydrophobicContact CD1-CG 4.14Å; L105-L109 HydrophobicContact CD2-CD1 4.29Å; L105-L109 HydrophobicContact CG-CD1 3.79Å; L105-L109 HydrophobicContact CG-CG 4.28Å; L105-L109 WeakPolarHBondContact O-CB 3.43Å; L105-L109 WeakPolarHBondContact O-CG 3.45Å; L105-L109 PolarHBondContact O-N 3.42Å; L109-G111 PolarHBondContact O-N 3.1Å; L109-N112 WeakPolarHBondContact O-CB 3.29Å; L109-N112 PolarHBondContact O-N 3.32Å; L109-N112 VanDerWaalsContact O-N 3.13Å; L109-I115 VanDerWaalsContact O-CG1 3.26Å; L109-I115 WeakPolarHBondContact O-CG1 3.25Å; L109-I118 HydrophobicContact CB-CD1 3.44Å; L109-I118 VanDerWaalsContact CB-CD1 3.44Å; L109-I118 HydrophobicContact CD1-CD1 3.88Å; L109-I118 HydrophobicContact CG-CD1 4.33Å
110	R	83.7	Confident	83.8	Confident	184 Å²	184	48.5 Å²	48.5	69%	0.694	27%	0.269	S	S	*	.	H	α-helix	trans	-67.7	-21.3	177.1	-73	178.5	179.3	-178.9	0.4	113.3	Y106 E108 N112 I118	Y106-R110 VanDerWaalsContact O-CB 3.25Å; Y106-R110 WeakPolarHBondContact O-CB 3.5Å; Y106-R110 VanDerWaalsContact O-CG 3.24Å; Y106-R110 WeakPolarHBondContact O-CG 3.41Å; Y106-R110 PolarHBondContact O-N 2.92Å; E108-R110 PolarHBondContact O-N 3.21Å; R110-N112 PolarHBondContact O-N 2.88Å; R110-I118 HydrophobicContact CG-CD1 4.12Å
111	G	82.2	Confident	83.1	Confident	66 Å²	66	48.3 Å²	48.3	68%	0.68	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-14	173	0	0	0	0	0	113.9	E107 E108 L109	E107-G111 PolarHBondContact O-N 3.33Å; E108-G111 PolarHBondContact O-N 3.24Å; E108-G111 VanDerWaalsContact O-N 3.13Å; L109-G111 PolarHBondContact O-N 3.1Å
112	N	84.5	Confident	81.5	Confident	29 Å²	29	51 Å²	51	16%	0.155	28%	0.282	C	S	.	.	S	Bend	trans	-91.1	123.6	-178.4	-73.6	-87.8	0	0	0	111.5	Y61 E108 L109 R110 F114 I115	Y61-N112 WeakPolarHBondContact CE2-ND2 3.31Å; Y61-N112 PolarHBondContact OH-ND2 2.87Å; Y61-N112 PolarHBondContact OH-OD1 3.42Å; E108-N112 PolarHBondContact O-ND2 3.28Å; L109-N112 WeakPolarHBondContact O-CB 3.29Å; L109-N112 PolarHBondContact O-N 3.32Å; L109-N112 VanDerWaalsContact O-N 3.13Å; R110-N112 PolarHBondContact O-N 2.88Å; N112-F114 HydrophobicContact CB-CD1 3.96Å; N112-F114 HydrophobicContact CB-CD2 4.37Å; N112-F114 HydrophobicContact CB-CE1 3.52Å; N112-F114 HydrophobicContact CB-CE2 3.94Å; N112-F114 HydrophobicContact CB-CG 4.37Å; N112-F114 HydrophobicContact CB-CZ 3.51Å; N112-F114 PolarHBondContact O-N 3.21Å; N112-F114 VanDerWaalsContact O-N 3.12Å; N112-F114 WeakPolarHBondContact OD1-CE1 3.45Å; N112-F114 VanDerWaalsContact OD1-CZ 3.29Å; N112-F114 WeakPolarHBondContact OD1-CZ 3.44Å; N112-I115 HydrophobicContact CB-CG1 3.96Å; N112-I115 PolarHBondContact O-N 2.88Å; N112-I115 VanDerWaalsContact O-N 3.11Å
113	S	82.5	Confident	79.6	Confident	91 Å²	91	54.7 Å²	54.7	64%	0.636	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.4	-178	46.9	0	0	0	0	115.1	I41	I41-S113 WeakPolarHBondContact CD1-OG 3.16Å
114	F	85.2	Confident	77.4	Confident	26 Å²	26	62.6 Å²	62.6	11%	0.114	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.1	176.6	55.5	-100.1	0	0	0	113.2	F38 H39 I41 F50 T54 E57 N112	F38-F114 CarbonylContact C-O 3.48Å; F38-F114 WeakPolarHBondContact CA-O 3.47Å; F38-F114 HydrophobicContact CB-CD2 4.41Å; F38-F114 WeakPolarHBondContact CB-O 3.36Å; H39-F114 PolarHBondContact N-O 2.98Å; I41-F114 HydrophobicContact CD1-CB 3.81Å; I41-F114 HydrophobicContact CD1-CD1 4.4Å; I41-F114 HydrophobicContact CG1-CB 4.02Å; F50-F114 HydrophobicContact CE2-CB 4.21Å; F50-F114 HydrophobicContact CZ-CB 4.02Å; T54-F114 HydrophobicContact CG2-CD2 3.54Å; T54-F114 HydrophobicContact CG2-CE2 3.54Å; E57-F114 HydrophobicContact CB-CZ 4.43Å; N112-F114 HydrophobicContact CB-CD1 3.96Å; N112-F114 HydrophobicContact CB-CD2 4.37Å; N112-F114 HydrophobicContact CB-CE1 3.52Å; N112-F114 HydrophobicContact CB-CE2 3.94Å; N112-F114 HydrophobicContact CB-CG 4.37Å; N112-F114 HydrophobicContact CB-CZ 3.51Å; N112-F114 PolarHBondContact O-N 3.21Å; N112-F114 VanDerWaalsContact O-N 3.12Å; N112-F114 WeakPolarHBondContact OD1-CE1 3.45Å; N112-F114 VanDerWaalsContact OD1-CZ 3.29Å; N112-F114 WeakPolarHBondContact OD1-CZ 3.44Å
115	I	85.2	Confident	75.3	Confident	22 Å²	22	67.9 Å²	67.9	11%	0.113	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.7	177.3	-61.1	-58.7	0	0	0	108.9	I36 F38 I58 L109 N112 I118	I36-I115 HydrophobicContact CG2-CD1 3.56Å; I36-I115 HydrophobicContact CG2-CG2 4.47Å; F38-I115 HydrophobicContact CB-CD1 3.95Å; I58-I115 HydrophobicContact CD1-CD1 4.44Å; L109-I115 VanDerWaalsContact O-CG1 3.26Å; L109-I115 WeakPolarHBondContact O-CG1 3.25Å; N112-I115 HydrophobicContact CB-CG1 3.96Å; N112-I115 PolarHBondContact O-N 2.88Å; N112-I115 VanDerWaalsContact O-N 3.11Å; I115-I118 HydrophobicContact CG2-CD1 4.29Å; I115-I118 HydrophobicContact CG2-CG1 3.88Å
116	S	82.7	Confident	73.1	Confident	56 Å²	56	71.9 Å²	71.9	39%	0.392	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-24.5	174.7	39.2	0	0	0	0	113.5	N37 F38 Q88	N37-S116 VanDerWaalsContact C-OG 3.26Å; N37-S116 WeakPolarHBondContact CB-OG 3.06Å; N37-S116 PolarHBondContact O-N 3.48Å; N37-S116 PolarHBondContact O-OG 3.34Å; F38-S116 PolarHBondContact N-OG 3.48Å; Q88-S116 PolarHBondContact NE2-OG 2.97Å; Q88-S116 VanDerWaalsContact NE2-OG 3.14Å
117	G	83.1	Confident	71.5	Confident	22 Å²	22	78.3 Å²	78.3	23%	0.227	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.5	156.4	179.8	0	0	0	0	0	112.9	N37	N37-G117 PolarHBondContact N-O 3.23Å; N37-G117 PolarHBondContact O-N 2.93Å
118	I	85.5	Confident	70.8	Confident	22 Å²	22	77.2 Å²	77.2	11%	0.113	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.6	176.3	-50.3	168.7	0	0	0	107.3	I34 I35 I36 Y106 L109 R110 I115	I34-I118 HydrophobicContact CB-CG2 4.16Å; I34-I118 HydrophobicContact CD1-CG2 4.37Å; I34-I118 HydrophobicContact CG2-CG2 4.48Å; I35-I118 CarbonylContact O-C 3.12Å; I35-I118 WeakPolarHBondContact O-CA 3.45Å; I36-I118 HydrophobicContact CG1-CG2 4.12Å; I36-I118 HydrophobicContact CG2-CG1 4.5Å; Y106-I118 HydrophobicContact CD1-CD1 4.06Å; Y106-I118 HydrophobicContact CD1-CG2 3.96Å; Y106-I118 HydrophobicContact CE1-CG2 3.62Å; L109-I118 HydrophobicContact CB-CD1 3.44Å; L109-I118 VanDerWaalsContact CB-CD1 3.44Å; L109-I118 HydrophobicContact CD1-CD1 3.88Å; L109-I118 HydrophobicContact CG-CD1 4.33Å; R110-I118 HydrophobicContact CG-CD1 4.12Å; I115-I118 HydrophobicContact CG2-CD1 4.29Å; I115-I118 HydrophobicContact CG2-CG1 3.88Å
119	N	80.3	Confident	70.7	Confident	87 Å²	87	79 Å²	79	47%	0.465	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.3	-176.8	-57	-25.4	0	0	0	109.2	I34 I35 N37 L121	I34-N119 CarbonylContact C-O 3.15Å; I34-N119 VanDerWaalsContact CA-O 3.31Å; I34-N119 WeakPolarHBondContact CA-O 3.08Å; I35-N119 HydrophobicContact CB-CB 4.31Å; I35-N119 PolarHBondContact N-O 3.39Å; I35-N119 PolarHBondContact O-N 3.27Å; N37-N119 PolarHBondContact ND2-ND2 3.48Å; N119-L121 PolarHBondContact O-N 2.66Å
120	L	77.1	Confident	70.7	Confident	71 Å²	71	81.5 Å²	81.5	37%	0.372	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	126.2	172.3	-172.7	78.7	0	0	0	109.1	H32 S33 I34 Y106	H32-L120 HydrophobicContact CB-CD1 4.28Å; S33-L120 CarbonylContact O-C 3.49Å; S33-L120 WeakPolarHBondContact O-CD1 3.4Å; I34-L120 HydrophobicContact CG2-CD1 3.7Å; Y106-L120 WeakPolarHBondContact OH-CD1 3.46Å
121	L	64.9	Low	71.2	Confident	67 Å²	67	72.9 Å²	72.9	35%	0.351	40%	0.398	S	S	.	.	S	Bend	trans	-86.1	-25	174.9	-88.4	162.1	0	0	0	113.1	S33 I35 L92 N119 N123	S33-L121 PolarHBondContact O-N 3.41Å; I35-L121 HydrophobicContact CD1-CD1 3.73Å; I35-L121 HydrophobicContact CD1-CD2 3.87Å; I35-L121 HydrophobicContact CD1-CG 3.71Å; I35-L121 HydrophobicContact CG1-CD1 3.5Å; I35-L121 HydrophobicContact CG1-CG 3.87Å; L92-L121 HydrophobicContact CD1-CD1 3.24Å; L92-L121 HydrophobicContact CD2-CD1 4.14Å; L92-L121 HydrophobicContact CG-CD1 4.28Å; N119-L121 PolarHBondContact O-N 2.66Å; L121-N123 PolarHBondContact O-N 3.34Å
122	N	51.6	Low	71.8	Confident	68 Å²	68	75 Å²	75	36%	0.364	39%	0.388	S	S	.	.	S	Bend	trans	-71.1	-1.8	-172.8	-83.7	12.3	0	0	0	115	I31 H32 S33	I31-N122 VanDerWaalsContact C-ND2 3.26Å; I31-N122 PolarHBondContact O-ND2 2.74Å; H32-N122 WeakPolarHBondContact CA-ND2 3.21Å; S33-N122 WeakPolarHBondContact CB-OD1 3.33Å; S33-N122 VanDerWaalsContact N-CG 3.33Å; S33-N122 PolarHBondContact N-ND2 2.82Å; S33-N122 PolarHBondContact N-OD1 3.13Å; S33-N122 PolarHBondContact OG-OD1 2.99Å
123	N	44.7	Very low	72.4	Confident	82 Å²	82	76.3 Å²	76.3	44%	0.439	39%	0.393	S	S	.	.			trans	-121.2	85.4	164.6	-71.5	21.3	0	0	0	108.4	L121 E125	L121-N123 PolarHBondContact O-N 3.34Å; N123-E125 HydrophobicContact CB-CB 4.09Å; N123-E125 HydrophobicContact CB-CG 4.05Å; N123-E125 PolarHBondContact ND2-OE2 3.41Å; N123-E125 PolarHBondContact O-N 3.05Å
124	Q	35.4	Very low	73.1	Confident	189 Å²	189	72.2 Å²	72.2	88%	0.883	36%	0.364	S	S	*	.			trans	-73.1	37.2	140.3	-71.9	-166.9	-13.4	0	0	109.8	S126	Q124-S126 VanDerWaalsContact C-N 3.33Å; Q124-S126 PolarHBondContact O-N 3.02Å; Q124-S126 VanDerWaalsContact O-N 3.1Å
125	E	41.4	Very low	73.7	Confident	137 Å²	137	73 Å²	73	64%	0.64	37%	0.373	S	S	*	.	S	Bend	trans	-57.2	116.1	143.7	-67.9	176.3	163.6	0	0	102.7	N123 E127	N123-E125 HydrophobicContact CB-CB 4.09Å; N123-E125 HydrophobicContact CB-CG 4.05Å; N123-E125 PolarHBondContact ND2-OE2 3.41Å; N123-E125 PolarHBondContact O-N 3.05Å; E125-E127 PolarHBondContact O-N 3.22Å
126	S	42.4	Very low	74.2	Confident	85 Å²	85	73.3 Å²	73.3	59%	0.594	38%	0.375	S	S	*	.			trans	-23	112.5	151.1	166.8	0	0	0	0	107.2	Q124 D128	Q124-S126 VanDerWaalsContact C-N 3.33Å; Q124-S126 PolarHBondContact O-N 3.02Å; Q124-S126 VanDerWaalsContact O-N 3.1Å; S126-D128 WeakPolarHBondContact CB-OD1 3.49Å; S126-D128 PolarHBondContact O-N 3.4Å; S126-D128 PolarHBondContact OG-OD1 2.84Å
127	E	51.6	Low	74.8	Confident	183 Å²	183	70.7 Å²	70.7	86%	0.855	36%	0.356	S	S	*	.			trans	-63.7	85.9	169	-91	-168	167.6	0	0	104.2	E125 W129	E125-E127 PolarHBondContact O-N 3.22Å; E127-W129 VanDerWaalsContact C-N 3.31Å; E127-W129 PolarHBondContact O-N 3.23Å
128	D	68.1	Low	75.2	Confident	52 Å²	52	71.5 Å²	71.5	28%	0.278	36%	0.356	S	S	.	.			trans	-59.7	103.8	179.4	-99.8	24.8	0	0	0	104.4	S126 Y130 K261	S126-D128 WeakPolarHBondContact CB-OD1 3.49Å; S126-D128 PolarHBondContact O-N 3.4Å; S126-D128 PolarHBondContact OG-OD1 2.84Å; D128-Y130 WeakPolarHBondContact O-CD1 3.32Å; D128-Y130 PolarHBondContact O-N 3.45Å; D128-K261 IonicContact OD2-NZ 3.6Å; D128-K261 PolarHBondContact OD2-NZ 3.4Å
129	W	83.7	Confident	75.4	Confident	121 Å²	121	76.1 Å²	76.1	46%	0.458	38%	0.375	S	S	.	.			trans	-54.3	132.3	-173.1	174.7	90.5	0	0	0	108.9	E127 P131 D136 K139	E127-W129 VanDerWaalsContact C-N 3.31Å; E127-W129 PolarHBondContact O-N 3.23Å; W129-P131 HydrophobicContact CH2-CB 4.26Å; W129-D136 HydrophobicContact CH2-CB 4.34Å; W129-D136 HydrophobicContact CZ2-CB 4.02Å; W129-K139 HydrophobicContact CH2-CB 3.77Å; W129-K139 HydrophobicContact CH2-CD 4.1Å; W129-K139 HydrophobicContact CZ2-CB 4.17Å; W129-K139 HydrophobicContact CZ2-CD 3.61Å; W129-K139 HydrophobicContact CZ3-CB 4.46Å
130	Y	89.5	Confident	75.6	Confident	52 Å²	52	72 Å²	72	20%	0.204	35%	0.352	C	S	.	.			trans	-134	149.5	172.8	63	-93.9	0	0	0	109.7	D128 K132 L320 M432	D128-Y130 WeakPolarHBondContact O-CD1 3.32Å; D128-Y130 PolarHBondContact O-N 3.45Å; Y130-K132 HydrophobicContact CD2-CG 4.27Å; Y130-K132 HydrophobicContact CE2-CG 3.85Å; Y130-K132 PolarHBondContact O-N 3.44Å; Y130-L320 HydrophobicContact CD2-CB 4.33Å; Y130-L320 HydrophobicContact CG-CB 4.45Å; Y130-M432 HydrophobicContact CD1-CE 4.35Å; Y130-M432 HydrophobicContact CD2-CE 4.27Å; Y130-M432 HydrophobicContact CE1-CE 3.82Å; Y130-M432 HydrophobicContact CE2-CE 3.74Å; Y130-M432 HydrophobicContact CE2-CG 4.49Å; Y130-M432 WeakPolarHBondContact OH-CG 3.39Å
131	P	94.2	Very high	75.6	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.019	35%	0.347	C	S	.	.			trans	-62.7	133.7	177.4	23.1	-32.7	0	0	0	111.4	W129 D136 L137 A265 F269 L320	W129-P131 HydrophobicContact CH2-CB 4.26Å; P131-D136 HydrophobicContact CB-CB 3.58Å; P131-L137 HydrophobicContact CB-CD2 4.16Å; P131-L137 HydrophobicContact CG-CD2 4.01Å; P131-A265 HydrophobicContact CG-CB 3.94Å; P131-F269 HydrophobicContact CB-CE2 3.8Å; P131-F269 HydrophobicContact CB-CZ 4.08Å; P131-F269 HydrophobicContact CG-CE2 3.73Å; P131-F269 HydrophobicContact CG-CZ 4.44Å; P131-F269 WeakPolarHBondContact O-CZ 3.49Å; P131-L320 HydrophobicContact CG-CD2 4.18Å
132	K	94.6	Very high	76	Confident	110 Å²	110	73.6 Å²	73.6	48%	0.478	36%	0.356	S	S	.	.	S	Bend	trans	-109.5	-23.7	179.8	-68.9	176.3	-177.2	171.6	0	112.4	Y130 D136 T429 V430	Y130-K132 HydrophobicContact CD2-CG 4.27Å; Y130-K132 HydrophobicContact CE2-CG 3.85Å; Y130-K132 PolarHBondContact O-N 3.44Å; K132-D136 PolarHBondContact N-OD2 2.95Å; K132-T429 CarbonylContact O-C 3.55Å; K132-T429 WeakPolarHBondContact O-CA 2.93Å; K132-T429 WeakPolarHBondContact O-CB 3.4Å; K132-V430 PolarHBondContact O-N 2.81Å
133	H	97	Very high	77	Confident	57 Å²	57	72 Å²	72	26%	0.264	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-127.1	150.6	170.7	179.7	-100.5	0	0	0	108.8	S135 D136 F269 T427 T429	H133-S135 WeakPolarHBondContact ND1-CB 3.33Å; H133-S135 PolarHBondContact ND1-N 3.28Å; H133-S135 VanDerWaalsContact ND1-N 3.16Å; H133-S135 PolarHBondContact ND1-OG 3.41Å; H133-S135 PolarHBondContact O-N 2.8Å; H133-D136 PolarHBondContact N-OD2 2.71Å; H133-D136 VanDerWaalsContact N-OD2 3.15Å; H133-D136 WeakPolarHBondContact O-CB 3.35Å; H133-D136 PolarHBondContact O-N 3.24Å; H133-F269 VanDerWaalsContact C-CE1 3.46Å; H133-T427 PolarHBondContact CD2-O 3.39Å; H133-T429 HydrophobicContact CB-CG2 4.23Å
134	I	97.4	Very high	77.9	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.026	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-54.4	-30.2	-178.9	-171.8	166.7	0	0	0	113.7	D136 L137 Y179 F269 V271 E428	I134-D136 PolarHBondContact O-N 2.79Å; I134-L137 HydrophobicContact CG1-CD1 4.11Å; I134-L137 VanDerWaalsContact O-CB 3.28Å; I134-L137 WeakPolarHBondContact O-CB 3.39Å; I134-L137 VanDerWaalsContact O-CG 3.25Å; I134-L137 WeakPolarHBondContact O-CG 3.25Å; I134-L137 PolarHBondContact O-N 2.82Å; I134-L137 VanDerWaalsContact O-N 3.13Å; I134-Y179 HydrophobicContact CB-CE2 4.23Å; I134-Y179 HydrophobicContact CD1-CD2 4.48Å; I134-Y179 HydrophobicContact CD1-CE2 4.08Å; I134-Y179 HydrophobicContact CG1-CD2 4.09Å; I134-Y179 HydrophobicContact CG1-CE2 4.02Å; I134-Y179 HydrophobicContact CG2-CD2 3.88Å; I134-Y179 HydrophobicContact CG2-CE1 4.34Å; I134-Y179 HydrophobicContact CG2-CE2 3.27Å; I134-F269 HydrophobicContact CB-CB 4.43Å; I134-F269 HydrophobicContact CB-CD1 3.73Å; I134-F269 HydrophobicContact CB-CE1 4.42Å; I134-F269 HydrophobicContact CB-CG 4.33Å; I134-F269 HydrophobicContact CD1-CB 4.32Å; I134-F269 HydrophobicContact CG1-CB 4.1Å; I134-F269 HydrophobicContact CG1-CD1 4.32Å; I134-F269 HydrophobicContact CG1-CG 4.45Å; I134-V271 HydrophobicContact CD1-CG2 3.77Å; I134-V271 HydrophobicContact CG1-CG2 4.13Å; I134-E428 HydrophobicContact CB-CB 4.06Å; I134-E428 HydrophobicContact CG2-CB 3.56Å; I134-E428 HydrophobicContact CG2-CG 4.44Å; I134-E428 WeakPolarHBondContact CG2-OE2 3.11Å; I134-E428 PolarHBondContact N-O 3.41Å
135	S	96.6	Very high	78.8	Confident	43 Å²	43	72.7 Å²	72.7	30%	0.301	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-66.9	-21.1	175.8	70.1	0	0	0	0	113.3	H133 L137 D138	H133-S135 WeakPolarHBondContact ND1-CB 3.33Å; H133-S135 PolarHBondContact ND1-N 3.28Å; H133-S135 VanDerWaalsContact ND1-N 3.16Å; H133-S135 PolarHBondContact ND1-OG 3.41Å; H133-S135 PolarHBondContact O-N 2.8Å; S135-L137 PolarHBondContact O-N 2.84Å; S135-D138 WeakPolarHBondContact O-CB 3.46Å; S135-D138 PolarHBondContact O-N 3.48Å
136	D	95.8	Very high	79.2	Confident	27 Å²	27	71.3 Å²	71.3	14%	0.144	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-65.6	-17	173.8	-73.5	-43.6	0	0	0	112.3	W129 P131 K132 H133 I134 D138 K139	W129-D136 HydrophobicContact CH2-CB 4.34Å; W129-D136 HydrophobicContact CZ2-CB 4.02Å; P131-D136 HydrophobicContact CB-CB 3.58Å; K132-D136 PolarHBondContact N-OD2 2.95Å; H133-D136 PolarHBondContact N-OD2 2.71Å; H133-D136 VanDerWaalsContact N-OD2 3.15Å; H133-D136 WeakPolarHBondContact O-CB 3.35Å; H133-D136 PolarHBondContact O-N 3.24Å; I134-D136 PolarHBondContact O-N 2.79Å; D136-D138 PolarHBondContact O-N 2.93Å; D136-D138 VanDerWaalsContact O-N 3.11Å; D136-K139 WeakPolarHBondContact O-CB 3.41Å; D136-K139 PolarHBondContact O-N 2.86Å; D136-K139 IonicContact OD1-NZ 3.39Å; D136-K139 PolarHBondContact OD1-NZ 2.74Å
137	L	95.3	Very high	79.7	Confident	2 Å²	2	68.5 Å²	68.5	1%	0.01	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-62.7	-14.1	172.9	-61	-177.3	0	0	0	113	P131 I134 S135 K139 C140 F269 V271	P131-L137 HydrophobicContact CB-CD2 4.16Å; P131-L137 HydrophobicContact CG-CD2 4.01Å; I134-L137 HydrophobicContact CG1-CD1 4.11Å; I134-L137 VanDerWaalsContact O-CB 3.28Å; I134-L137 WeakPolarHBondContact O-CB 3.39Å; I134-L137 VanDerWaalsContact O-CG 3.25Å; I134-L137 WeakPolarHBondContact O-CG 3.25Å; I134-L137 PolarHBondContact O-N 2.82Å; I134-L137 VanDerWaalsContact O-N 3.13Å; S135-L137 PolarHBondContact O-N 2.84Å; L137-K139 PolarHBondContact O-N 2.81Å; L137-C140 HydrophobicContact CD2-CB 4.26Å; L137-C140 PolarHBondContact O-N 3.4Å; L137-F269 HydrophobicContact CD1-CB 4.07Å; L137-F269 HydrophobicContact CD1-CD2 4.46Å; L137-F269 HydrophobicContact CD1-CG 4.39Å; L137-F269 HydrophobicContact CD2-CD2 4.09Å; L137-F269 HydrophobicContact CG-CD2 4.44Å; L137-V271 HydrophobicContact CD1-CB 3.72Å; L137-V271 HydrophobicContact CD1-CG1 4.05Å; L137-V271 HydrophobicContact CD1-CG2 3.67Å
138	D	93.1	Very high	79.9	Confident	39 Å²	39	63.3 Å²	63.3	21%	0.209	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-61.7	-19.2	167.4	-71.6	-15.3	0	0	0	113.3	S135 D136 K178 Y179 R252	S135-D138 WeakPolarHBondContact O-CB 3.46Å; S135-D138 PolarHBondContact O-N 3.48Å; D136-D138 PolarHBondContact O-N 2.93Å; D136-D138 VanDerWaalsContact O-N 3.11Å; D138-K178 HydrophobicContact CB-CD 4.21Å; D138-K178 WeakPolarHBondContact OD1-CA 3.36Å; D138-K178 WeakPolarHBondContact OD2-CD 3.37Å; D138-Y179 PolarHBondContact OD1-N 3.44Å; D138-Y179 PolarHBondContact OD2-N 3.32Å; D138-Y179 VanDerWaalsContact OD2-N 3.13Å; D138-R252 IonicContact OD1-CZ 2.93Å; D138-R252 IonicContact OD1-NH1 2.66Å; D138-R252 PolarHBondContact OD1-NH1 3.48Å; D138-R252 IonicContact OD1-NH2 3.5Å; D138-R252 PolarHBondContact OD1-NH2 2.91Å
139	K	88.8	Confident	79.3	Confident	118 Å²	118	62.6 Å²	62.6	51%	0.513	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-95.5	-10.2	174.5	-56.5	161	-173.6	160.1	0	112.6	W129 D136 L137 Q141 H142	W129-K139 HydrophobicContact CH2-CB 3.77Å; W129-K139 HydrophobicContact CH2-CD 4.1Å; W129-K139 HydrophobicContact CZ2-CB 4.17Å; W129-K139 HydrophobicContact CZ2-CD 3.61Å; W129-K139 HydrophobicContact CZ3-CB 4.46Å; D136-K139 WeakPolarHBondContact O-CB 3.41Å; D136-K139 PolarHBondContact O-N 2.86Å; D136-K139 IonicContact OD1-NZ 3.39Å; D136-K139 PolarHBondContact OD1-NZ 2.74Å; L137-K139 PolarHBondContact O-N 2.81Å; K139-Q141 VanDerWaalsContact C-N 3.31Å; K139-Q141 PolarHBondContact O-N 2.97Å; K139-H142 PolarHBondContact O-CE1 3.27Å
140	C	84.8	Confident	78.1	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	29%	0.293	C	S	.	.			trans	-92.3	55.3	179.9	-65.6	0	0	0	0	111.4	L137 D262 Q273	L137-C140 HydrophobicContact CD2-CB 4.26Å; L137-C140 PolarHBondContact O-N 3.4Å; C140-D262 VanDerWaalsContact CA-CG 3.47Å; C140-D262 WeakPolarHBondContact CA-OD2 3.44Å; C140-D262 HydrophobicContact CB-CB 3.95Å; C140-Q273 PolarHBondContact O-NE2 3.27Å; C140-Q273 VanDerWaalsContact O-NE2 3.1Å
141	Q	76.4	Confident	76.9	Confident	55 Å²	55	61.7 Å²	61.7	26%	0.257	29%	0.286	S	S	.	.			trans	-120.7	22.3	-177.1	-60.3	-170.3	-37.2	0	0	112.4	K139 L143 D262	K139-Q141 VanDerWaalsContact C-N 3.31Å; K139-Q141 PolarHBondContact O-N 2.97Å; Q141-L143 PolarHBondContact O-N 3.48Å; Q141-D262 PolarHBondContact N-OD2 2.91Å
142	H	73.1	Confident	75.7	Confident	118 Å²	118	64.4 Å²	64.4	55%	0.546	30%	0.299	S	S	.	.			trans	-69.8	96.9	-179.2	-58.4	93.5	0	0	0	110.2	K139 S259 D262	K139-H142 PolarHBondContact O-CE1 3.27Å; H142-S259 PolarHBondContact O-N 3.48Å; H142-D262 VanDerWaalsContact CB-OD2 3.23Å; H142-D262 WeakPolarHBondContact CB-OD2 3.47Å; H142-D262 IonicContact CE1-OD2 2.65Å; H142-D262 IonicContact CG-OD2 3.9Å; H142-D262 VanDerWaalsContact CG-OD2 3.32Å; H142-D262 PolarHBondContact N-OD2 3.15Å; H142-D262 IonicContact ND1-OD1 3.48Å; H142-D262 IonicContact ND1-OD2 3.26Å; H142-D262 PolarHBondContact ND1-OD2 2.97Å
143	L	73.7	Confident	74.7	Confident	33 Å²	33	64.5 Å²	64.5	17%	0.173	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-73.1	137.1	175	-61.3	174.3	0	0	0	110.7	Q141 R145 F175 V254 A255 L257 V258	Q141-L143 PolarHBondContact O-N 3.48Å; L143-R145 PolarHBondContact O-N 3.02Å; L143-F175 HydrophobicContact CD1-CE1 3.71Å; L143-F175 HydrophobicContact CD1-CZ 3.72Å; L143-V254 HydrophobicContact CD2-CG2 4.17Å; L143-A255 HydrophobicContact CD1-CB 4.03Å; L143-L257 CarbonylContact C-O 3.53Å; L143-L257 WeakPolarHBondContact CA-O 3.45Å; L143-V258 HydrophobicContact CD2-CG2 3.77Å
144	L	62.3	Low	73.9	Confident	67 Å²	67	66.8 Å²	66.8	35%	0.351	32%	0.323	S	S	.	.			trans	-67.1	128.8	169.8	-67	177.9	0	0	0	109.3	K146 F147 L257	L144-K146 PolarHBondContact O-N 3.45Å; L144-F147 HydrophobicContact CB-CD2 4.27Å; L144-F147 PolarHBondContact O-N 3.37Å; L144-L257 HydrophobicContact CD1-CD2 3.67Å; L144-L257 HydrophobicContact CD1-CG 4.02Å; L144-L257 PolarHBondContact N-O 3.35Å
145	R	55.2	Low	73.3	Confident	219 Å²	219	67 Å²	67	83%	0.826	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-52.6	-34	-176.8	-69.2	-174	179.3	-178.7	0	113.4	L143 F147 Q148	L143-R145 PolarHBondContact O-N 3.02Å; R145-F147 PolarHBondContact O-N 2.9Å; R145-Q148 PolarHBondContact O-N 3.29Å
146	K	50.4	Low	72.9	Confident	108 Å²	108	66.5 Å²	66.5	47%	0.47	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-63.4	-17.5	-179.4	-178.5	174.9	174.6	-168.9	0	113.9	L144 Q152	L144-K146 PolarHBondContact O-N 3.45Å; K146-Q152 PolarHBondContact O-NE2 3.14Å
147	F	52.3	Low	72.5	Confident	27 Å²	27	65.2 Å²	65.2	12%	0.118	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-133.1	28.2	-173.7	-56.6	-85.4	0	0	0	112.1	L144 R145 L257 E289	L144-F147 HydrophobicContact CB-CD2 4.27Å; L144-F147 PolarHBondContact O-N 3.37Å; R145-F147 PolarHBondContact O-N 2.9Å; F147-L257 HydrophobicContact CB-CB 3.63Å; F147-L257 HydrophobicContact CD2-CB 3.71Å; F147-L257 HydrophobicContact CD2-CD2 3.37Å; F147-L257 HydrophobicContact CD2-CG 4.18Å; F147-L257 HydrophobicContact CE2-CB 4.48Å; F147-L257 HydrophobicContact CE2-CD2 3.31Å; F147-L257 HydrophobicContact CG-CB 3.71Å; F147-L257 HydrophobicContact CG-CD2 4.06Å; F147-L257 HydrophobicContact CZ-CD2 3.96Å; F147-E289 HydrophobicContact CD1-CB 3.78Å; F147-E289 HydrophobicContact CE1-CB 3.98Å
148	Q	55.5	Low	72.1	Confident	74 Å²	74	67.6 Å²	67.6	35%	0.346	32%	0.323	S	S	.	.	S	Bend	trans	-63	169.4	166.6	-75.6	-176.7	-3.3	0	0	109.8	R145 E150	R145-Q148 PolarHBondContact O-N 3.29Å; Q148-E150 CarbonylContact O-C 3.52Å; Q148-E150 PolarHBondContact O-N 3.01Å; Q148-E150 VanDerWaalsContact O-O 3.13Å
149	P	54.8	Low	71.9	Confident	37 Å²	37	73.7 Å²	73.7	24%	0.24	35%	0.35	C	S	.	.	S	Bend	trans	-53.5	-14.7	173.8	-25.8	34.5	0	0	0	114.2	L151 A171 F175	P149-L151 PolarHBondContact O-N 3.01Å; P149-A171 HydrophobicContact CG-CB 4.18Å; P149-F175 HydrophobicContact CG-CE2 4.37Å
150	E	60.3	Low	72.1	Confident	140 Å²	140	70.3 Å²	70.3	65%	0.654	34%	0.337	S	S	*	.	S	Bend	trans	-76.1	105.4	165	-62.2	-174.8	-178.7	0	0	111.1	Q148	Q148-E150 CarbonylContact O-C 3.52Å; Q148-E150 PolarHBondContact O-N 3.01Å; Q148-E150 VanDerWaalsContact O-O 3.13Å
151	L	64.2	Low	72.5	Confident	13 Å²	13	77.1 Å²	77.1	7%	0.068	37%	0.367	C	S	.	.			trans	-68	150.6	179.2	-55.5	170.1	0	0	0	111.6	P149 H155 G157 F158 Y163 R164	P149-L151 PolarHBondContact O-N 3.01Å; L151-H155 HydrophobicContact CB-CB 3.99Å; L151-G157 WeakPolarHBondContact CD1-O 3.28Å; L151-F158 HydrophobicContact CB-CD2 4.29Å; L151-F158 WeakPolarHBondContact O-CD2 3.45Å; L151-F158 VanDerWaalsContact O-CE2 3.28Å; L151-F158 WeakPolarHBondContact O-CE2 3.25Å; L151-Y163 HydrophobicContact CD1-CD1 3.69Å; L151-Y163 HydrophobicContact CD1-CE1 3.65Å; L151-Y163 HydrophobicContact CD2-CE1 4.35Å; L151-R164 HydrophobicContact CD1-CG 3.73Å
152	Q	69.1	Low	73.4	Confident	61 Å²	61	79.6 Å²	79.6	29%	0.285	39%	0.386	S	S	.	.			trans	-69.8	157.3	171	-71.8	172.2	57.8	0	0	111.8	K146 D154 H155 F158	K146-Q152 PolarHBondContact O-NE2 3.14Å; Q152-D154 WeakPolarHBondContact CB-OD1 3.48Å; Q152-D154 PolarHBondContact O-N 3.07Å; Q152-H155 WeakPolarHBondContact O-CB 3.42Å; Q152-H155 PolarHBondContact O-N 3.19Å; Q152-F158 WeakPolarHBondContact O-CB 3.47Å; Q152-F158 WeakPolarHBondContact O-CD2 3.47Å; Q152-F158 WeakPolarHBondContact O-CG 3.5Å
153	T	73.8	Confident	74.4	Confident	111 Å²	111	75.1 Å²	75.1	68%	0.681	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.7	-175.9	49	0	0	0	0	114.4	F158	T153-F158 HydrophobicContact CG2-CE1 3.95Å; T153-F158 HydrophobicContact CG2-CE2 4.1Å; T153-F158 HydrophobicContact CG2-CZ 3.69Å
154	D	79.6	Confident	75.3	Confident	105 Å²	105	78.5 Å²	78.5	56%	0.561	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-8.7	177.3	64.4	-29	0	0	0	113.2	Q152	Q152-D154 WeakPolarHBondContact CB-OD1 3.48Å; Q152-D154 PolarHBondContact O-N 3.07Å
155	H	84.4	Confident	76.8	Confident	10 Å²	10	79.9 Å²	79.9	5%	0.046	38%	0.379	C	S	.	.	S	Bend	trans	-65.4	131.9	176.2	-174	-72.4	0	0	0	109.9	L151 Q152 G157 F158 Y163 P288 E289	L151-H155 HydrophobicContact CB-CB 3.99Å; Q152-H155 WeakPolarHBondContact O-CB 3.42Å; Q152-H155 PolarHBondContact O-N 3.19Å; H155-G157 PolarHBondContact ND1-N 2.76Å; H155-G157 PolarHBondContact O-N 3.22Å; H155-G157 VanDerWaalsContact O-N 3.1Å; H155-F158 WeakPolarHBondContact O-CB 3.42Å; H155-F158 PolarHBondContact O-N 3.03Å; H155-Y163 AromaticContact CE1-CE1 3.41Å; H155-Y163 VanDerWaalsContact CE1-CE1 3.41Å; H155-Y163 WeakPolarHBondContact CE1-CE1 3.38Å; H155-Y163 AromaticContact CE1-CZ 3.8Å; H155-P288 VanDerWaalsContact CD2-CG 3.44Å; H155-P288 WeakPolarHBondContact CD2-CG 3.41Å; H155-E289 IonicContact CD2-OE1 3.78Å; H155-E289 IonicContact NE2-OE1 3.73Å
156	P	87.4	Confident	78.7	Confident	33 Å²	33	72.4 Å²	72.4	21%	0.214	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.6	-176.1	-28	35.7	0	0	0	114.7	H280 R283	P156-H280 HydrophobicContact CB-CB 3.86Å; P156-R283 HydrophobicContact CB-CG 4.41Å; P156-R283 HydrophobicContact CG-CB 4.32Å; P156-R283 HydrophobicContact CG-CG 4.08Å
157	G	88	Confident	80.7	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5.6	175.4	0	0	0	0	0	116.3	L151 H155 H159 D160	L151-G157 WeakPolarHBondContact CD1-O 3.28Å; H155-G157 PolarHBondContact ND1-N 2.76Å; H155-G157 PolarHBondContact O-N 3.22Å; H155-G157 VanDerWaalsContact O-N 3.1Å; G157-H159 VanDerWaalsContact C-N 3.33Å; G157-H159 PolarHBondContact O-N 2.92Å; G157-D160 PolarHBondContact O-N 3.5Å; G157-D160 VanDerWaalsContact O-N 3.11Å
158	F	86.7	Confident	82.6	Confident	51 Å²	51	70.8 Å²	70.8	22%	0.224	35%	0.345	C	S	.	.	S	Bend	trans	-58.5	-42.9	-175.5	-179.9	-106.6	0	0	0	113.3	L151 Q152 T153 H155 R164	L151-F158 HydrophobicContact CB-CD2 4.29Å; L151-F158 WeakPolarHBondContact O-CD2 3.45Å; L151-F158 VanDerWaalsContact O-CE2 3.28Å; L151-F158 WeakPolarHBondContact O-CE2 3.25Å; Q152-F158 WeakPolarHBondContact O-CB 3.47Å; Q152-F158 WeakPolarHBondContact O-CD2 3.47Å; Q152-F158 WeakPolarHBondContact O-CG 3.5Å; T153-F158 HydrophobicContact CG2-CE1 3.95Å; T153-F158 HydrophobicContact CG2-CE2 4.1Å; T153-F158 HydrophobicContact CG2-CZ 3.69Å; H155-F158 WeakPolarHBondContact O-CB 3.42Å; H155-F158 PolarHBondContact O-N 3.03Å; F158-R164 WeakPolarHBondContact O-CD 3.32Å; F158-R164 PolarHBondContact O-NH1 2.92Å
159	H	88.5	Confident	84.4	Confident	168 Å²	168	69.7 Å²	69.7	78%	0.778	35%	0.349	S	S	*	.	S	Bend	trans	-90.4	-5.9	176.9	-66.7	-57.5	0	0	0	113.4	G157 K161	G157-H159 VanDerWaalsContact C-N 3.33Å; G157-H159 PolarHBondContact O-N 2.92Å; H159-K161 PolarHBondContact O-N 3Å
160	D	93.4	Very high	86.4	Confident	46 Å²	46	68.2 Å²	68.2	25%	0.246	34%	0.339	C	S	.	.			trans	-87	103.2	178.7	-170.6	-30.7	0	0	0	110	G157 V162 Y163 R164 H280	G157-D160 PolarHBondContact O-N 3.5Å; G157-D160 VanDerWaalsContact O-N 3.11Å; D160-V162 VanDerWaalsContact C-N 3.31Å; D160-V162 PolarHBondContact O-N 2.78Å; D160-V162 WeakPolarHBondContact OD1-CA 3.48Å; D160-V162 WeakPolarHBondContact OD1-CB 3.25Å; D160-V162 PolarHBondContact OD1-N 3.25Å; D160-Y163 PolarHBondContact O-N 2.88Å; D160-Y163 PolarHBondContact OD1-N 2.82Å; D160-R164 VanDerWaalsContact O-CG 3.31Å; D160-R164 WeakPolarHBondContact O-CG 3.34Å; D160-R164 PolarHBondContact O-N 2.91Å; D160-R164 VanDerWaalsContact O-N 3.08Å; D160-H280 IonicContact OD2-NE2 3.26Å; D160-H280 PolarHBondContact OD2-NE2 3.23Å
161	K	93.8	Very high	87.9	Confident	143 Å²	143	61.8 Å²	61.8	62%	0.622	31%	0.31	S	S	*	.	H	α-helix	trans	-63.6	-37.4	179.3	-166.6	-176.4	-176.5	-112.1	0	112.2	H159 R164 E165	H159-K161 PolarHBondContact O-N 3Å; K161-R164 PolarHBondContact O-N 2.86Å; K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 IonicContact NZ-OE1 2.84Å; K161-E165 PolarHBondContact NZ-OE1 2.75Å; K161-E165 WeakPolarHBondContact O-CG 3.4Å; K161-E165 PolarHBondContact O-N 2.85Å
162	V	95.3	Very high	89.3	Confident	107 Å²	107	65.9 Å²	65.9	65%	0.648	33%	0.327	S	S	*	.	H	α-helix	trans	-68	-45.6	-178.2	178.6	0	0	0	0	109.5	D160 R164 E165 R166	D160-V162 VanDerWaalsContact C-N 3.31Å; D160-V162 PolarHBondContact O-N 2.78Å; D160-V162 WeakPolarHBondContact OD1-CA 3.48Å; D160-V162 WeakPolarHBondContact OD1-CB 3.25Å; D160-V162 PolarHBondContact OD1-N 3.25Å; V162-R164 VanDerWaalsContact C-N 3.33Å; V162-R164 PolarHBondContact O-N 3.38Å; V162-E165 PolarHBondContact O-N 3.33Å; V162-R166 WeakPolarHBondContact O-CB 3.29Å; V162-R166 PolarHBondContact O-N 3.49Å
163	Y	94.2	Very high	90.5	Very high	24 Å²	24	64.3 Å²	64.3	9%	0.094	32%	0.32	C	S	.	.	H	α-helix	trans	-60.4	-41.4	175.2	-179	-97.8	0	0	0	112	L151 H155 D160 R166 R167 I278 H280	L151-Y163 HydrophobicContact CD1-CD1 3.69Å; L151-Y163 HydrophobicContact CD1-CE1 3.65Å; L151-Y163 HydrophobicContact CD2-CE1 4.35Å; H155-Y163 AromaticContact CE1-CE1 3.41Å; H155-Y163 VanDerWaalsContact CE1-CE1 3.41Å; H155-Y163 WeakPolarHBondContact CE1-CE1 3.38Å; H155-Y163 AromaticContact CE1-CZ 3.8Å; D160-Y163 PolarHBondContact O-N 2.88Å; D160-Y163 PolarHBondContact OD1-N 2.82Å; Y163-R166 WeakPolarHBondContact O-CB 3.44Å; Y163-R166 PolarHBondContact O-N 2.84Å; Y163-R167 HydrophobicContact CD1-CG 4.09Å; Y163-R167 HydrophobicContact CE1-CG 3.71Å; Y163-R167 WeakPolarHBondContact O-CG 3.39Å; Y163-R167 PolarHBondContact O-N 2.69Å; Y163-R167 PolarHBondContact OH-NH1 2.98Å; Y163-R167 VanDerWaalsContact OH-NH1 3.13Å; Y163-I278 WeakPolarHBondContact CE2-O 3.23Å; Y163-I278 PolarHBondContact OH-O 3.01Å; Y163-H280 AromaticContact CD2-CD2 3.73Å; Y163-H280 HydrophobicContact CE2-CB 4.23Å; Y163-H280 AromaticContact CG-CD2 3.73Å
164	R	91.5	Very high	91.5	Very high	105 Å²	105	59.1 Å²	59.1	40%	0.396	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-46.1	177.4	-73	174.2	64.6	171.2	2	113.1	L151 F158 D160 K161 V162 R166 R167 E168	L151-R164 HydrophobicContact CD1-CG 3.73Å; F158-R164 WeakPolarHBondContact O-CD 3.32Å; F158-R164 PolarHBondContact O-NH1 2.92Å; D160-R164 VanDerWaalsContact O-CG 3.31Å; D160-R164 WeakPolarHBondContact O-CG 3.34Å; D160-R164 PolarHBondContact O-N 2.91Å; D160-R164 VanDerWaalsContact O-N 3.08Å; K161-R164 PolarHBondContact O-N 2.86Å; V162-R164 VanDerWaalsContact C-N 3.33Å; V162-R164 PolarHBondContact O-N 3.38Å; R164-R166 PolarHBondContact O-N 2.97Å; R164-R167 PolarHBondContact O-N 2.68Å; R164-E168 PolarHBondContact O-N 2.77Å
165	E	94.1	Very high	92	Very high	96 Å²	96	58.6 Å²	58.6	45%	0.449	28%	0.282	S	S	.	.	H	α-helix	trans	-60.1	-39.2	174.8	-73.7	174.2	-176.5	0	0	110.8	K161 V162 E168 A169	K161-E165 WeakPolarHBondContact CE-OE1 3.39Å; K161-E165 IonicContact NZ-OE1 2.84Å; K161-E165 PolarHBondContact NZ-OE1 2.75Å; K161-E165 WeakPolarHBondContact O-CG 3.4Å; K161-E165 PolarHBondContact O-N 2.85Å; V162-E165 PolarHBondContact O-N 3.33Å; E165-E168 PolarHBondContact O-N 2.74Å; E165-A169 PolarHBondContact O-N 3.41Å
166	R	95	Very high	92.5	Very high	61 Å²	61	65.1 Å²	65.1	23%	0.23	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-44.3	174.8	-178.2	56.1	175	177.3	-2.3	112.5	V162 Y163 R164 A169 I170 E187 E192	V162-R166 WeakPolarHBondContact O-CB 3.29Å; V162-R166 PolarHBondContact O-N 3.49Å; Y163-R166 WeakPolarHBondContact O-CB 3.44Å; Y163-R166 PolarHBondContact O-N 2.84Å; R164-R166 PolarHBondContact O-N 2.97Å; R166-A169 PolarHBondContact O-N 3.24Å; R166-I170 HydrophobicContact CG-CD1 4.49Å; R166-I170 PolarHBondContact O-N 2.84Å; R166-I170 VanDerWaalsContact O-N 3.13Å; R166-E187 PolarHBondContact NH2-O 3.13Å; R166-E192 WeakPolarHBondContact CG-OE1 3.4Å; R166-E192 IonicContact CZ-OE1 2.71Å; R166-E192 IonicContact CZ-OE2 2.73Å; R166-E192 IonicContact NE-OE1 2.68Å; R166-E192 PolarHBondContact NE-OE1 2.98Å; R166-E192 IonicContact NE-OE2 3.17Å; R166-E192 PolarHBondContact NE-OE2 3.45Å; R166-E192 IonicContact NH2-OE1 2.91Å; R166-E192 IonicContact NH2-OE2 3.22Å; R166-E192 PolarHBondContact NH2-OE2 3.04Å
167	R	92.7	Very high	92.9	Very high	6 Å²	6	64.9 Å²	64.9	2%	0.023	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-43.2	174.8	-75.3	-68.6	-67.1	-84.4	-2.2	112.4	Y163 R164 I170 A171 Y277 E289	Y163-R167 HydrophobicContact CD1-CG 4.09Å; Y163-R167 HydrophobicContact CE1-CG 3.71Å; Y163-R167 WeakPolarHBondContact O-CG 3.39Å; Y163-R167 PolarHBondContact O-N 2.69Å; Y163-R167 PolarHBondContact OH-NH1 2.98Å; Y163-R167 VanDerWaalsContact OH-NH1 3.13Å; R164-R167 PolarHBondContact O-N 2.68Å; R167-I170 PolarHBondContact O-N 3.05Å; R167-A171 VanDerWaalsContact O-CB 3.31Å; R167-A171 WeakPolarHBondContact O-CB 3.44Å; R167-A171 PolarHBondContact O-N 3.06Å; R167-Y277 VanDerWaalsContact CD-CG 3.41Å; R167-Y277 VanDerWaalsContact CZ-CD2 3.43Å; R167-Y277 VanDerWaalsContact CZ-CE2 3.47Å; R167-Y277 VanDerWaalsContact NE-CD1 3.27Å; R167-E289 IonicContact CZ-OE1 2.67Å; R167-E289 IonicContact NH1-OE1 3.18Å; R167-E289 PolarHBondContact NH1-OE1 3.16Å; R167-E289 IonicContact NH2-OE1 3.22Å; R167-E289 PolarHBondContact NH2-OE1 3.47Å; R167-E289 IonicContact NH2-OE2 2.69Å; R167-E289 PolarHBondContact NH2-OE2 2.81Å
168	E	92.1	Very high	93.2	Very high	96 Å²	96	68.7 Å²	68.7	45%	0.449	32%	0.324	S	S	.	.	H	α-helix	trans	-64.1	-40.8	177.6	-163.9	-162.8	136.4	0	0	111.7	R164 E165 I170 A171 K172	R164-E168 PolarHBondContact O-N 2.77Å; E165-E168 PolarHBondContact O-N 2.74Å; E168-I170 PolarHBondContact O-N 3.11Å; E168-A171 PolarHBondContact O-N 2.81Å; E168-K172 WeakPolarHBondContact O-CG 3.2Å; E168-K172 PolarHBondContact O-N 3.15Å; E168-K172 VanDerWaalsContact O-N 3.09Å; E168-K172 WeakPolarHBondContact OE1-CE 3.35Å; E168-K172 IonicContact OE1-NZ 2.84Å; E168-K172 PolarHBondContact OE1-NZ 3.5Å
169	A	94.4	Very high	93.6	Very high	50 Å²	50	70.4 Å²	70.4	41%	0.413	33%	0.329	S	S	.	.	H	α-helix	trans	-61	-44.1	176.7	0	0	0	0	0	112.1	E165 R166	E165-A169 PolarHBondContact O-N 3.41Å; R166-A169 PolarHBondContact O-N 3.24Å
170	I	95.8	Very high	93.9	Very high	6 Å²	6	65.6 Å²	65.6	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-68.5	-41.3	176.1	-66.1	174.4	0	0	0	111	R166 R167 E168 K172 I173 V186 Q276	R166-I170 HydrophobicContact CG-CD1 4.49Å; R166-I170 PolarHBondContact O-N 2.84Å; R166-I170 VanDerWaalsContact O-N 3.13Å; R167-I170 PolarHBondContact O-N 3.05Å; E168-I170 PolarHBondContact O-N 3.11Å; I170-K172 PolarHBondContact O-N 2.61Å; I170-I173 VanDerWaalsContact O-CB 3.31Å; I170-I173 WeakPolarHBondContact O-CB 3.42Å; I170-I173 PolarHBondContact O-N 3.16Å; I170-V186 HydrophobicContact CD1-CG1 4.26Å; I170-V186 HydrophobicContact CG1-CG1 4.32Å; I170-Q276 HydrophobicContact CG2-CB 3.5Å; I170-Q276 VanDerWaalsContact CG2-CB 3.5Å
171	A	92.4	Very high	94.1	Very high	5 Å²	5	67.2 Å²	67.2	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-59.7	-33.1	178.8	0	0	0	0	0	112.9	P149 R167 E168 I173 A174 F175 A255	P149-A171 HydrophobicContact CG-CB 4.18Å; R167-A171 VanDerWaalsContact O-CB 3.31Å; R167-A171 WeakPolarHBondContact O-CB 3.44Å; R167-A171 PolarHBondContact O-N 3.06Å; E168-A171 PolarHBondContact O-N 2.81Å; A171-I173 PolarHBondContact O-N 3.01Å; A171-A174 PolarHBondContact O-N 2.84Å; A171-A174 VanDerWaalsContact O-N 3.14Å; A171-F175 HydrophobicContact CB-CD2 4.33Å; A171-F175 HydrophobicContact CB-CE2 3.97Å; A171-F175 WeakPolarHBondContact O-CD2 3.4Å; A171-F175 PolarHBondContact O-N 3.41Å; A171-A255 HydrophobicContact CB-CB 3.88Å
172	K	93.2	Very high	94.3	Very high	100 Å²	100	67 Å²	67	44%	0.435	33%	0.329	S	S	.	.	H	α-helix	trans	-57.7	-35.8	175.1	-75.6	166.6	-176.2	160.7	0	112.7	E168 I170 F175 Q176	E168-K172 WeakPolarHBondContact O-CG 3.2Å; E168-K172 PolarHBondContact O-N 3.15Å; E168-K172 VanDerWaalsContact O-N 3.09Å; E168-K172 WeakPolarHBondContact OE1-CE 3.35Å; E168-K172 IonicContact OE1-NZ 2.84Å; E168-K172 PolarHBondContact OE1-NZ 3.5Å; I170-K172 PolarHBondContact O-N 2.61Å; K172-F175 PolarHBondContact O-N 3.11Å; K172-Q176 WeakPolarHBondContact O-CB 3.11Å; K172-Q176 VanDerWaalsContact O-CG 3.25Å; K172-Q176 WeakPolarHBondContact O-CG 3.4Å; K172-Q176 PolarHBondContact O-N 3.23Å
173	I	94.7	Very high	94.4	Very high	27 Å²	27	62 Å²	62	14%	0.138	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-51	175.2	-64.6	171	0	0	0	110	I170 A171 F175 Q176 Y177 P184 V186	I170-I173 VanDerWaalsContact O-CB 3.31Å; I170-I173 WeakPolarHBondContact O-CB 3.42Å; I170-I173 PolarHBondContact O-N 3.16Å; A171-I173 PolarHBondContact O-N 3.01Å; I173-F175 PolarHBondContact O-N 3.1Å; I173-Q176 PolarHBondContact O-N 3.32Å; I173-Y177 WeakPolarHBondContact O-CB 3.31Å; I173-Y177 PolarHBondContact O-N 3.05Å; I173-P184 HydrophobicContact CD1-CB 4.35Å; I173-P184 HydrophobicContact CG1-CB 4.33Å; I173-P184 HydrophobicContact CG2-CB 3.93Å; I173-P184 HydrophobicContact CG2-CG 3.75Å; I173-V186 HydrophobicContact CD1-CG2 3.6Å
174	A	93.2	Very high	94.6	Very high	3 Å²	3	63.7 Å²	63.7	3%	0.025	31%	0.313	C	S	.	.	H	α-helix	trans	-65.1	-38.5	-178.5	0	0	0	0	0	113.4	A171 P253 V254 A255	A171-A174 PolarHBondContact O-N 2.84Å; A171-A174 VanDerWaalsContact O-N 3.14Å; A174-P253 HydrophobicContact CB-CB 4.24Å; A174-V254 VanDerWaalsContact CB-C 3.47Å; A174-A255 HydrophobicContact CB-CB 4Å
175	F	91.1	Very high	94.9	Very high	94 Å²	94	64.8 Å²	64.8	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-68.9	-34.7	177	-69.3	-54.4	0	0	0	112.9	L143 P149 A171 K172 I173 K178 A255	L143-F175 HydrophobicContact CD1-CE1 3.71Å; L143-F175 HydrophobicContact CD1-CZ 3.72Å; P149-F175 HydrophobicContact CG-CE2 4.37Å; A171-F175 HydrophobicContact CB-CD2 4.33Å; A171-F175 HydrophobicContact CB-CE2 3.97Å; A171-F175 WeakPolarHBondContact O-CD2 3.4Å; A171-F175 PolarHBondContact O-N 3.41Å; K172-F175 PolarHBondContact O-N 3.11Å; I173-F175 PolarHBondContact O-N 3.1Å; F175-K178 PolarHBondContact O-NZ 3.14Å; F175-A255 HydrophobicContact CD2-CB 4.46Å; F175-A255 HydrophobicContact CE1-CB 4.1Å; F175-A255 HydrophobicContact CE2-CB 3.91Å; F175-A255 HydrophobicContact CZ-CB 3.7Å
176	Q	94.1	Very high	95.1	Very high	147 Å²	147	60.6 Å²	60.6	69%	0.687	30%	0.304	S	S	*	.	H	α-helix	trans	-80	-29.8	-179.6	-71.4	175.3	-9.2	0	0	112.8	K172 I173 K178	K172-Q176 WeakPolarHBondContact O-CB 3.11Å; K172-Q176 VanDerWaalsContact O-CG 3.25Å; K172-Q176 WeakPolarHBondContact O-CG 3.4Å; K172-Q176 PolarHBondContact O-N 3.23Å; I173-Q176 PolarHBondContact O-N 3.32Å; Q176-K178 PolarHBondContact O-N 3.37Å
177	Y	95.7	Very high	95.2	Very high	28 Å²	28	66.2 Å²	66.2	11%	0.11	33%	0.332	C	S	.	.			trans	-55.8	135.3	-179.8	-176.3	-91.7	0	0	0	112.7	I173 D181 I183 R252 P253	I173-Y177 WeakPolarHBondContact O-CB 3.31Å; I173-Y177 PolarHBondContact O-N 3.05Å; Y177-D181 HydrophobicContact CD2-CB 3.99Å; Y177-D181 HydrophobicContact CE2-CB 3.96Å; Y177-D181 WeakPolarHBondContact CE2-O 3.47Å; Y177-I183 HydrophobicContact CD2-CG1 4.38Å; Y177-I183 HydrophobicContact CE2-CB 4.46Å; Y177-I183 HydrophobicContact CE2-CG1 3.68Å; Y177-R252 HydrophobicContact CD1-CG 4.07Å; Y177-R252 HydrophobicContact CE1-CG 3.9Å; Y177-P253 HydrophobicContact CD1-CG 3.96Å; Y177-P253 HydrophobicContact CD2-CG 3.72Å; Y177-P253 HydrophobicContact CE2-CG 4.32Å; Y177-P253 HydrophobicContact CG-CG 3.5Å
178	K	95.8	Very high	95.4	Very high	79 Å²	79	67 Å²	67	34%	0.343	34%	0.336	S	S	.	.			trans	-129.3	160.6	172.1	-61.8	-70.7	161.1	-93.3	0	110.5	D138 F175 Q176 G180 D181	D138-K178 HydrophobicContact CB-CD 4.21Å; D138-K178 WeakPolarHBondContact OD1-CA 3.36Å; D138-K178 WeakPolarHBondContact OD2-CD 3.37Å; F175-K178 PolarHBondContact O-NZ 3.14Å; Q176-K178 PolarHBondContact O-N 3.37Å; K178-G180 PolarHBondContact O-N 3.09Å; K178-D181 PolarHBondContact N-OD2 3.04Å; K178-D181 WeakPolarHBondContact O-CB 3.26Å; K178-D181 PolarHBondContact O-N 3.15Å; K178-D181 VanDerWaalsContact O-N 3.1Å
179	Y	94.9	Very high	95.7	Very high	87 Å²	87	65.4 Å²	65.4	34%	0.341	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	131.2	175.5	167.7	-95.7	0	0	0	110.8	I134 D138 E428	I134-Y179 HydrophobicContact CB-CE2 4.23Å; I134-Y179 HydrophobicContact CD1-CD2 4.48Å; I134-Y179 HydrophobicContact CD1-CE2 4.08Å; I134-Y179 HydrophobicContact CG1-CD2 4.09Å; I134-Y179 HydrophobicContact CG1-CE2 4.02Å; I134-Y179 HydrophobicContact CG2-CD2 3.88Å; I134-Y179 HydrophobicContact CG2-CE1 4.34Å; I134-Y179 HydrophobicContact CG2-CE2 3.27Å; D138-Y179 PolarHBondContact OD1-N 3.44Å; D138-Y179 PolarHBondContact OD2-N 3.32Å; D138-Y179 VanDerWaalsContact OD2-N 3.13Å; Y179-E428 PolarHBondContact OH-OE2 3.27Å
180	G	94.6	Very high	95.9	Very high	68 Å²	68	70.5 Å²	70.5	70%	0.701	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	-14.9	-176.7	0	0	0	0	0	114.3	K178	K178-G180 PolarHBondContact O-N 3.09Å
181	D	97.3	Very high	96	Very high	79 Å²	79	74.6 Å²	74.6	42%	0.422	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-72.3	150.1	175.1	-66.5	-24.7	0	0	0	111.6	Y177 K178	Y177-D181 HydrophobicContact CD2-CB 3.99Å; Y177-D181 HydrophobicContact CE2-CB 3.96Å; Y177-D181 WeakPolarHBondContact CE2-O 3.47Å; K178-D181 PolarHBondContact N-OD2 3.04Å; K178-D181 WeakPolarHBondContact O-CB 3.26Å; K178-D181 PolarHBondContact O-N 3.15Å; K178-D181 VanDerWaalsContact O-N 3.1Å
182	R	98	Very high	96.3	Very high	138 Å²	138	75.1 Å²	75.1	52%	0.521	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-75	134.4	163.6	-173.1	179.7	174.2	77.2	2	108.4	P184 Q237 E241	R182-P184 WeakPolarHBondContact O-CD 3.34Å; R182-Q237 HydrophobicContact CG-CG 3.68Å; R182-E241 IonicContact CZ-OE1 3.83Å; R182-E241 IonicContact NH1-OE1 3Å; R182-E241 PolarHBondContact NH1-OE1 2.9Å
183	I	98	Very high	96.5	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.01	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-65.1	120.8	175.9	-52.2	171.5	0	0	0	108.6	Y177 L236 Q237 C240 I251 P253	Y177-I183 HydrophobicContact CD2-CG1 4.38Å; Y177-I183 HydrophobicContact CE2-CB 4.46Å; Y177-I183 HydrophobicContact CE2-CG1 3.68Å; I183-L236 HydrophobicContact CD1-CB 3.89Å; I183-L236 HydrophobicContact CG2-CB 4.01Å; I183-L236 HydrophobicContact CG2-CD1 4.44Å; I183-Q237 HydrophobicContact CB-CB 4.14Å; I183-C240 HydrophobicContact CD1-CB 4.15Å; I183-I251 HydrophobicContact CD1-CB 4.21Å; I183-I251 HydrophobicContact CD1-CG2 4.17Å; I183-P253 HydrophobicContact CG2-CB 4.29Å; I183-P253 HydrophobicContact CG2-CG 4.12Å
184	P	97.6	Very high	96.7	Very high	61 Å²	61	76.9 Å²	76.9	40%	0.396	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-60.6	139	177.3	-26.4	36.9	0	0	0	112.6	I173 R182 Q276	I173-P184 HydrophobicContact CD1-CB 4.35Å; I173-P184 HydrophobicContact CG1-CB 4.33Å; I173-P184 HydrophobicContact CG2-CB 3.93Å; I173-P184 HydrophobicContact CG2-CG 3.75Å; R182-P184 WeakPolarHBondContact O-CD 3.34Å; P184-Q276 PolarHBondContact O-NE2 3.28Å
185	E	97.7	Very high	96.9	Very high	128 Å²	128	77.2 Å²	77.2	60%	0.598	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-71.4	144.4	175.1	-67.4	-176.7	-174.3	0	0	111	Q235	E185-Q235 VanDerWaalsContact CA-OE1 3.27Å; E185-Q235 HydrophobicContact CG-CG 4.22Å
186	V	97.9	Very high	97.3	Very high	8 Å²	8	72.7 Å²	72.7	5%	0.048	36%	0.358	C	S	.	.			trans	-105.2	119.5	174.3	175.1	0	0	0	0	108.7	I170 I173 Y188 Q235 Q276	I170-V186 HydrophobicContact CD1-CG1 4.26Å; I170-V186 HydrophobicContact CG1-CG1 4.32Å; I173-V186 HydrophobicContact CD1-CG2 3.6Å; V186-Y188 HydrophobicContact CB-CD2 4.29Å; V186-Y188 HydrophobicContact CB-CE1 4.32Å; V186-Y188 HydrophobicContact CB-CE2 3.84Å; V186-Y188 HydrophobicContact CG1-CD1 3.87Å; V186-Y188 HydrophobicContact CG1-CD2 4.15Å; V186-Y188 HydrophobicContact CG1-CE1 3.69Å; V186-Y188 HydrophobicContact CG1-CE2 3.99Å; V186-Y188 HydrophobicContact CG1-CG 4.1Å; V186-Y188 VanDerWaalsContact O-CD2 3.27Å; V186-Y188 WeakPolarHBondContact O-CD2 3.43Å; V186-Y188 PolarHBondContact O-N 3.29Å; V186-Y188 VanDerWaalsContact O-N 3.08Å; V186-Q235 PolarHBondContact O-NE2 2.87Å; V186-Q276 HydrophobicContact CG2-CB 4.42Å; V186-Q276 VanDerWaalsContact CG2-NE2 3.25Å
187	E	97.7	Very high	97.5	Very high	179 Å²	179	66.1 Å²	66.1	84%	0.836	33%	0.33	S	S	*	.			trans	-74.4	94.8	168.4	-172.7	178.9	-179.6	0	0	108.6	R166	R166-E187 PolarHBondContact NH2-O 3.13Å
188	Y	98.3	Very high	97.6	Very high	22 Å²	22	69.3 Å²	69.3	9%	0.086	35%	0.348	C	S	.	.			trans	-72.3	137.2	179.3	-69.3	-77.3	0	0	0	111.6	V186 E192 I233 Q276	V186-Y188 HydrophobicContact CB-CD2 4.29Å; V186-Y188 HydrophobicContact CB-CE1 4.32Å; V186-Y188 HydrophobicContact CB-CE2 3.84Å; V186-Y188 HydrophobicContact CG1-CD1 3.87Å; V186-Y188 HydrophobicContact CG1-CD2 4.15Å; V186-Y188 HydrophobicContact CG1-CE1 3.69Å; V186-Y188 HydrophobicContact CG1-CE2 3.99Å; V186-Y188 HydrophobicContact CG1-CG 4.1Å; V186-Y188 VanDerWaalsContact O-CD2 3.27Å; V186-Y188 WeakPolarHBondContact O-CD2 3.43Å; V186-Y188 PolarHBondContact O-N 3.29Å; V186-Y188 VanDerWaalsContact O-N 3.08Å; Y188-E192 VanDerWaalsContact CA-OE2 3.29Å; Y188-E192 WeakPolarHBondContact CA-OE2 3.35Å; Y188-E192 HydrophobicContact CD1-CB 4.28Å; Y188-I233 HydrophobicContact CD1-CB 4.48Å; Y188-I233 HydrophobicContact CD1-CD1 3.51Å; Y188-I233 HydrophobicContact CD2-CB 3.63Å; Y188-I233 HydrophobicContact CD2-CD1 4.18Å; Y188-I233 HydrophobicContact CD2-CG1 4.43Å; Y188-I233 HydrophobicContact CD2-CG2 3.95Å; Y188-I233 HydrophobicContact CE1-CD1 3.91Å; Y188-I233 HydrophobicContact CE1-CG2 4.18Å; Y188-I233 HydrophobicContact CE2-CB 3.72Å; Y188-I233 HydrophobicContact CE2-CG2 3.47Å; Y188-I233 VanDerWaalsContact CE2-CG2 3.47Å; Y188-I233 HydrophobicContact CG-CB 4.03Å; Y188-I233 HydrophobicContact CG-CD1 3.66Å; Y188-I233 HydrophobicContact CG-CG1 4.34Å; Y188-I233 HydrophobicContact CG-CG2 4.48Å; Y188-Q276 WeakPolarHBondContact CE1-O 3.49Å; Y188-Q276 PolarHBondContact OH-O 2.88Å
189	T	97.9	Very high	97.6	Very high	63 Å²	63	65.6 Å²	65.6	39%	0.387	33%	0.332	S	S	.	.			trans	-73	162.9	178	76.3	0	0	0	0	111	E191 E192 I193	T189-E191 VanDerWaalsContact C-N 3.28Å; T189-E191 PolarHBondContact O-N 2.97Å; T189-E192 PolarHBondContact N-OE2 3.29Å; T189-E192 PolarHBondContact O-N 3.43Å; T189-E192 VanDerWaalsContact OG1-CG 3.31Å; T189-E192 WeakPolarHBondContact OG1-CG 3.3Å; T189-E192 PolarHBondContact OG1-N 2.89Å; T189-I193 WeakPolarHBondContact O-CG1 3.19Å; T189-I193 PolarHBondContact O-N 3.31Å
190	K	98.1	Very high	97.8	Very high	157 Å²	157	61.8 Å²	61.8	68%	0.683	32%	0.317	S	S	*	.	H	α-helix	trans	-56.3	-41.1	175.9	-176.3	177.7	169.8	-176.8	0	112.6	I193 E194	K190-I193 PolarHBondContact O-N 3.3Å; K190-E194 WeakPolarHBondContact CE-OE1 3.15Å; K190-E194 IonicContact NZ-OE1 3.31Å; K190-E194 WeakPolarHBondContact O-CB 3.13Å; K190-E194 WeakPolarHBondContact O-CG 3.42Å; K190-E194 PolarHBondContact O-N 3.35Å
191	E	97.8	Very high	97.9	Very high	91 Å²	91	62.4 Å²	62.4	43%	0.425	31%	0.308	S	S	.	.	H	α-helix	trans	-67.9	-37	179.5	-176.6	176.4	-103.4	0	0	112.2	T189 E194 T195 H281	T189-E191 VanDerWaalsContact C-N 3.28Å; T189-E191 PolarHBondContact O-N 2.97Å; E191-E194 PolarHBondContact O-N 2.92Å; E191-T195 WeakPolarHBondContact O-CB 3.24Å; E191-T195 PolarHBondContact O-N 2.78Å; E191-T195 PolarHBondContact O-OG1 3.24Å; E191-H281 HydrophobicContact CG-CB 3.57Å; E191-H281 IonicContact OE1-CD2 3.31Å; E191-H281 IonicContact OE1-CE1 3.71Å; E191-H281 PolarHBondContact OE1-CE1 2.82Å; E191-H281 VanDerWaalsContact OE1-CE1 3.31Å; E191-H281 IonicContact OE1-CG 3.52Å; E191-H281 IonicContact OE1-ND1 3.41Å; E191-H281 PolarHBondContact OE1-ND1 2.9Å; E191-H281 VanDerWaalsContact OE1-ND1 3.15Å; E191-H281 IonicContact OE1-NE2 3.15Å; E191-H281 IonicContact OE2-CD2 2.88Å; E191-H281 PolarHBondContact OE2-CD2 3.35Å; E191-H281 VanDerWaalsContact OE2-CD2 3.31Å; E191-H281 IonicContact OE2-CG 2.71Å; E191-H281 IonicContact OE2-NE2 3.85Å
192	E	98.4	Very high	97.8	Very high	17 Å²	17	62.5 Å²	62.5	8%	0.079	30%	0.304	C	S	.	.	H	α-helix	trans	-64.4	-45	173.6	-66.6	174.2	146.7	0	0	110.4	R166 Y188 T189 E194 T195 W196 I233 I278	R166-E192 WeakPolarHBondContact CG-OE1 3.4Å; R166-E192 IonicContact CZ-OE1 2.71Å; R166-E192 IonicContact CZ-OE2 2.73Å; R166-E192 IonicContact NE-OE1 2.68Å; R166-E192 PolarHBondContact NE-OE1 2.98Å; R166-E192 IonicContact NE-OE2 3.17Å; R166-E192 PolarHBondContact NE-OE2 3.45Å; R166-E192 IonicContact NH2-OE1 2.91Å; R166-E192 IonicContact NH2-OE2 3.22Å; R166-E192 PolarHBondContact NH2-OE2 3.04Å; Y188-E192 VanDerWaalsContact CA-OE2 3.29Å; Y188-E192 WeakPolarHBondContact CA-OE2 3.35Å; Y188-E192 HydrophobicContact CD1-CB 4.28Å; T189-E192 PolarHBondContact N-OE2 3.29Å; T189-E192 PolarHBondContact O-N 3.43Å; T189-E192 VanDerWaalsContact OG1-CG 3.31Å; T189-E192 WeakPolarHBondContact OG1-CG 3.3Å; T189-E192 PolarHBondContact OG1-N 2.89Å; E192-E194 PolarHBondContact O-N 2.72Å; E192-T195 WeakPolarHBondContact O-CB 3.29Å; E192-T195 PolarHBondContact O-N 3.45Å; E192-W196 PolarHBondContact O-N 2.8Å; E192-I233 HydrophobicContact CB-CD1 4.19Å; E192-I278 HydrophobicContact CB-CG2 3.82Å; E192-I278 HydrophobicContact CG-CG2 3.56Å; E192-I278 WeakPolarHBondContact O-CD1 3.41Å
193	I	98.6	Very high	97.7	Very high	51 Å²	51	56 Å²	56	26%	0.262	28%	0.28	S	S	.	.	H	α-helix	trans	-63.1	-42.5	177.3	-66.5	166.4	0	0	0	111.5	T189 K190 W196 G197 E231	T189-I193 WeakPolarHBondContact O-CG1 3.19Å; T189-I193 PolarHBondContact O-N 3.31Å; K190-I193 PolarHBondContact O-N 3.3Å; I193-W196 WeakPolarHBondContact O-CB 3.25Å; I193-W196 PolarHBondContact O-N 3.13Å; I193-G197 PolarHBondContact O-N 3.02Å; I193-E231 WeakPolarHBondContact CG2-O 3.45Å
194	E	98.3	Very high	97.6	Very high	113 Å²	113	59.9 Å²	59.9	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-41.1	176.4	-75.6	174.3	177.9	0	0	111.9	K190 E191 E192 G197 L198	K190-E194 WeakPolarHBondContact CE-OE1 3.15Å; K190-E194 IonicContact NZ-OE1 3.31Å; K190-E194 WeakPolarHBondContact O-CB 3.13Å; K190-E194 WeakPolarHBondContact O-CG 3.42Å; K190-E194 PolarHBondContact O-N 3.35Å; E191-E194 PolarHBondContact O-N 2.92Å; E192-E194 PolarHBondContact O-N 2.72Å; E194-G197 PolarHBondContact O-N 3.49Å; E194-L198 PolarHBondContact O-N 3.26Å
195	T	98	Very high	97.4	Very high	9 Å²	9	60.5 Å²	60.5	6%	0.055	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-47.1	175.3	-61.4	0	0	0	0	111	E191 E192 V199 I278 R279 H281 P284	E191-T195 WeakPolarHBondContact O-CB 3.24Å; E191-T195 PolarHBondContact O-N 2.78Å; E191-T195 PolarHBondContact O-OG1 3.24Å; E192-T195 WeakPolarHBondContact O-CB 3.29Å; E192-T195 PolarHBondContact O-N 3.45Å; T195-V199 PolarHBondContact O-N 3.18Å; T195-I278 HydrophobicContact CG2-CD1 3.89Å; T195-I278 HydrophobicContact CG2-CG1 4.1Å; T195-R279 HydrophobicContact CG2-CG 4.21Å; T195-H281 WeakPolarHBondContact OG1-CB 3.4Å; T195-P284 HydrophobicContact CG2-CB 4.05Å
196	W	98.3	Very high	97.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-58.5	-51.6	174.3	164.4	-92.8	0	0	0	111.9	E192 I193 L198 V199 F200 N229 S232 I233 P234 I278 I293 L296 I297	E192-W196 PolarHBondContact O-N 2.8Å; I193-W196 WeakPolarHBondContact O-CB 3.25Å; I193-W196 PolarHBondContact O-N 3.13Å; W196-L198 VanDerWaalsContact C-N 3.28Å; W196-L198 PolarHBondContact O-N 3.3Å; W196-V199 PolarHBondContact O-N 2.84Å; W196-V199 VanDerWaalsContact O-N 3.17Å; W196-F200 AromaticContact CE2-CD2 3.91Å; W196-F200 HydrophobicContact CH2-CD2 4.33Å; W196-F200 AromaticContact CZ2-CD2 3.56Å; W196-F200 HydrophobicContact CZ2-CD2 3.56Å; W196-F200 HydrophobicContact CZ2-CE2 4.12Å; W196-F200 HydrophobicContact CZ2-CG 4.47Å; W196-F200 VanDerWaalsContact O-CB 3.24Å; W196-F200 WeakPolarHBondContact O-CB 3.37Å; W196-F200 PolarHBondContact O-N 3.06Å; W196-N229 PolarHBondContact NE1-O 2.91Å; W196-S232 PolarHBondContact NE1-O 3.01Å; W196-S232 VanDerWaalsContact NE1-O 3.09Å; W196-I233 HydrophobicContact CB-CD1 3.9Å; W196-I233 HydrophobicContact CB-CG1 3.51Å; W196-I233 HydrophobicContact CD2-CG1 3.87Å; W196-I233 HydrophobicContact CE3-CG1 4.24Å; W196-I233 HydrophobicContact CE3-CG2 4.48Å; W196-I233 HydrophobicContact CG-CD1 4.42Å; W196-I233 HydrophobicContact CG-CG1 3.52Å; W196-P234 HydrophobicContact CH2-CG 4.21Å; W196-P234 VanDerWaalsContact CZ2-CD 3.42Å; W196-P234 HydrophobicContact CZ2-CG 3.96Å; W196-I278 HydrophobicContact CB-CD1 3.87Å; W196-I293 HydrophobicContact CE3-CG1 3.75Å; W196-I293 HydrophobicContact CZ3-CG1 4.22Å; W196-L296 HydrophobicContact CH2-CB 3.99Å; W196-L296 HydrophobicContact CH2-CD1 4.28Å; W196-L296 HydrophobicContact CZ3-CB 4.01Å; W196-L296 HydrophobicContact CZ3-CD1 4.12Å; W196-I297 HydrophobicContact CE3-CD1 4.33Å; W196-I297 HydrophobicContact CH2-CD1 3.84Å; W196-I297 HydrophobicContact CH2-CG1 3.77Å; W196-I297 HydrophobicContact CZ2-CD1 4.41Å; W196-I297 HydrophobicContact CZ3-CD1 3.8Å; W196-I297 HydrophobicContact CZ3-CG1 4.02Å
197	G	98.3	Very high	97.2	Very high	9 Å²	9	55.5 Å²	55.5	9%	0.093	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-37.8	-176.2	0	0	0	0	0	113.2	I193 E194 T201 S230	I193-G197 PolarHBondContact O-N 3.02Å; E194-G197 PolarHBondContact O-N 3.49Å; G197-T201 WeakPolarHBondContact O-CB 3.45Å; G197-T201 PolarHBondContact O-N 2.73Å; G197-T201 PolarHBondContact O-OG1 2.71Å; G197-S230 WeakPolarHBondContact CA-O 3.28Å
198	L	97.5	Very high	97	Very high	94 Å²	94	50.8 Å²	50.8	49%	0.492	28%	0.276	S	S	.	.	H	α-helix	trans	-63.1	-49	176	-178.7	65.6	0	0	0	111.9	E194 W196 K202 P284	E194-L198 PolarHBondContact O-N 3.26Å; W196-L198 VanDerWaalsContact C-N 3.28Å; W196-L198 PolarHBondContact O-N 3.3Å; L198-K202 PolarHBondContact O-N 3.18Å; L198-P284 HydrophobicContact CD2-CB 3.85Å; L198-P284 HydrophobicContact CD2-CG 3.53Å
199	V	96.8	Very high	96.7	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-70.6	-44.8	-178.8	-177.7	0	0	0	0	110.8	T195 W196 T201 K202 M203 P284 M285 I293	T195-V199 PolarHBondContact O-N 3.18Å; W196-V199 PolarHBondContact O-N 2.84Å; W196-V199 VanDerWaalsContact O-N 3.17Å; V199-T201 VanDerWaalsContact C-N 3.35Å; V199-T201 PolarHBondContact O-N 3Å; V199-K202 PolarHBondContact O-N 3.11Å; V199-M203 HydrophobicContact CG1-CG 3.84Å; V199-M203 WeakPolarHBondContact O-CB 3.21Å; V199-M203 WeakPolarHBondContact O-CG 3.28Å; V199-M203 PolarHBondContact O-N 2.89Å; V199-P284 HydrophobicContact CG2-CB 4.2Å; V199-P284 WeakPolarHBondContact CG2-O 3.21Å; V199-M285 HydrophobicContact CG2-SD 4.16Å; V199-I293 HydrophobicContact CB-CD1 3.96Å; V199-I293 HydrophobicContact CB-CG2 4.42Å; V199-I293 HydrophobicContact CG1-CD1 4.32Å; V199-I293 HydrophobicContact CG1-CG2 3.69Å; V199-I293 HydrophobicContact CG2-CD1 3.88Å
200	F	97.9	Very high	96.6	Very high	8 Å²	8	53.8 Å²	53.8	4%	0.035	29%	0.29	C	S	.	.	H	α-helix	trans	-53	-51.8	177.1	-178	-84.1	0	0	0	111.3	W196 K202 M203 K204 F219 Y228 I297	W196-F200 AromaticContact CE2-CD2 3.91Å; W196-F200 HydrophobicContact CH2-CD2 4.33Å; W196-F200 AromaticContact CZ2-CD2 3.56Å; W196-F200 HydrophobicContact CZ2-CD2 3.56Å; W196-F200 HydrophobicContact CZ2-CE2 4.12Å; W196-F200 HydrophobicContact CZ2-CG 4.47Å; W196-F200 VanDerWaalsContact O-CB 3.24Å; W196-F200 WeakPolarHBondContact O-CB 3.37Å; W196-F200 PolarHBondContact O-N 3.06Å; F200-K202 VanDerWaalsContact C-N 3.34Å; F200-K202 PolarHBondContact O-N 3.24Å; F200-M203 PolarHBondContact O-N 2.82Å; F200-K204 HydrophobicContact CE1-CD 3.88Å; F200-K204 HydrophobicContact CZ-CD 4.24Å; F200-K204 VanDerWaalsContact O-CB 3.23Å; F200-K204 WeakPolarHBondContact O-CB 3.33Å; F200-K204 PolarHBondContact O-N 3.23Å; F200-F219 HydrophobicContact CD2-CZ 4.17Å; F200-F219 AromaticContact CE2-CE1 3.93Å; F200-F219 HydrophobicContact CE2-CE1 3.93Å; F200-F219 HydrophobicContact CE2-CE2 4.49Å; F200-F219 AromaticContact CE2-CZ 3.44Å; F200-F219 HydrophobicContact CE2-CZ 3.44Å; F200-F219 VanDerWaalsContact CE2-CZ 3.44Å; F200-F219 AromaticContact CZ-CE1 3.78Å; F200-F219 HydrophobicContact CZ-CE1 3.78Å; F200-F219 AromaticContact CZ-CZ 3.73Å; F200-F219 HydrophobicContact CZ-CZ 3.73Å; F200-Y228 HydrophobicContact CE2-CD1 4.41Å; F200-I297 HydrophobicContact CB-CD1 4.29Å; F200-I297 HydrophobicContact CD2-CD1 4.16Å; F200-I297 HydrophobicContact CD2-CG1 4.48Å
201	T	96.9	Very high	96.6	Very high	81 Å²	81	46.3 Å²	46.3	50%	0.497	26%	0.258	S	S	.	.	H	α-helix	trans	-60.7	-44.8	-178.2	-57.9	0	0	0	0	111.5	G197 V199 A205	G197-T201 WeakPolarHBondContact O-CB 3.45Å; G197-T201 PolarHBondContact O-N 2.73Å; G197-T201 PolarHBondContact O-OG1 2.71Å; V199-T201 VanDerWaalsContact C-N 3.35Å; V199-T201 PolarHBondContact O-N 3Å; T201-A205 PolarHBondContact O-N 3.13Å
202	K	95.3	Very high	96.6	Very high	81 Å²	81	42 Å²	42	35%	0.352	24%	0.238	S	C	.	.	H	α-helix	trans	-69.5	-43.7	-178.4	-178.9	158.7	169.4	-179.6	0	112.3	L198 V199 F200 M285 Y360	L198-K202 PolarHBondContact O-N 3.18Å; V199-K202 PolarHBondContact O-N 3.11Å; F200-K202 VanDerWaalsContact C-N 3.34Å; F200-K202 PolarHBondContact O-N 3.24Å; K202-M285 HydrophobicContact CD-CE 3.46Å; K202-M285 VanDerWaalsContact CD-CE 3.46Å; K202-M285 HydrophobicContact CD-SD 4.09Å; K202-M285 HydrophobicContact CG-CE 4.07Å; K202-Y360 HydrophobicContact CD-CD2 4.16Å; K202-Y360 HydrophobicContact CD-CE2 4.47Å; K202-Y360 HydrophobicContact CG-CD2 3.92Å; K202-Y360 HydrophobicContact CG-CE2 4.3Å
203	M	96	Very high	96.6	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-67.8	-46.4	179.9	-67.8	-47.5	-65.5	0	0	111.4	V199 F200 A205 V206 H207 I297 M357 Y360 L363	V199-M203 HydrophobicContact CG1-CG 3.84Å; V199-M203 WeakPolarHBondContact O-CB 3.21Å; V199-M203 WeakPolarHBondContact O-CG 3.28Å; V199-M203 PolarHBondContact O-N 2.89Å; F200-M203 PolarHBondContact O-N 2.82Å; M203-A205 PolarHBondContact O-N 2.68Å; M203-A205 VanDerWaalsContact O-N 3.17Å; M203-V206 HydrophobicContact CE-CG2 4.18Å; M203-V206 WeakPolarHBondContact O-CG2 3.38Å; M203-V206 PolarHBondContact O-N 3.05Å; M203-V206 HydrophobicContact SD-CG2 4.4Å; M203-H207 PolarHBondContact O-CD2 2.87Å; M203-H207 PolarHBondContact O-N 2.93Å; M203-H207 PolarHBondContact O-ND1 3.15Å; M203-I297 HydrophobicContact CB-CG2 4.42Å; M203-M357 WeakPolarHBondContact CE-O 3.39Å; M203-Y360 PolarHBondContact SD-N 3.49Å; M203-L363 HydrophobicContact CE-CD1 4.24Å
204	K	95.8	Very high	96.6	Very high	84 Å²	84	47.6 Å²	47.6	37%	0.365	26%	0.257	S	S	.	.	H	α-helix	trans	-56	-38	178.2	-172.8	178.7	-177	-179.1	0	112.6	F200 V206 F219 E223	F200-K204 HydrophobicContact CE1-CD 3.88Å; F200-K204 HydrophobicContact CZ-CD 4.24Å; F200-K204 VanDerWaalsContact O-CB 3.23Å; F200-K204 WeakPolarHBondContact O-CB 3.33Å; F200-K204 PolarHBondContact O-N 3.23Å; K204-V206 PolarHBondContact O-N 2.91Å; K204-F219 HydrophobicContact CD-CE1 4.1Å; K204-F219 HydrophobicContact CG-CE1 4.24Å; K204-E223 WeakPolarHBondContact CE-OE1 3.49Å; K204-E223 WeakPolarHBondContact CE-OE2 3.45Å; K204-E223 IonicContact NZ-OE1 3.39Å; K204-E223 PolarHBondContact NZ-OE1 3.1Å; K204-E223 IonicContact NZ-OE2 3.23Å; K204-E223 PolarHBondContact NZ-OE2 3.43Å
205	A	94.7	Very high	96.6	Very high	74 Å²	74	42.2 Å²	42.2	61%	0.612	23%	0.232	S	C	*	.	H	α-helix	trans	-63.9	-37.4	177.9	0	0	0	0	0	113	T201 M203	T201-A205 PolarHBondContact O-N 3.13Å; M203-A205 PolarHBondContact O-N 2.68Å; M203-A205 VanDerWaalsContact O-N 3.17Å
206	V	94.6	Very high	96.6	Very high	24 Å²	24	43.3 Å²	43.3	15%	0.145	24%	0.237	C	C	.	.	H	α-helix	trans	-85.7	-27.7	179.9	-62.9	0	0	0	0	113.3	M203 K204 A208 S209 R210 Y360 L363	M203-V206 HydrophobicContact CE-CG2 4.18Å; M203-V206 WeakPolarHBondContact O-CG2 3.38Å; M203-V206 PolarHBondContact O-N 3.05Å; M203-V206 HydrophobicContact SD-CG2 4.4Å; K204-V206 PolarHBondContact O-N 2.91Å; V206-A208 PolarHBondContact O-N 2.69Å; V206-S209 PolarHBondContact O-N 3.24Å; V206-S209 PolarHBondContact O-OG 2.95Å; V206-R210 PolarHBondContact O-N 3.37Å; V206-Y360 HydrophobicContact CG1-CD2 4.15Å; V206-Y360 HydrophobicContact CG1-CE2 3.75Å; V206-Y360 HydrophobicContact CG2-CD2 4.47Å; V206-L363 HydrophobicContact CB-CD1 4.48Å; V206-L363 HydrophobicContact CB-CD2 4.39Å; V206-L363 HydrophobicContact CG2-CD1 3.85Å; V206-L363 HydrophobicContact CG2-CD2 4.41Å
207	H	96.8	Very high	96.6	Very high	7 Å²	7	46.7 Å²	46.7	3%	0.032	26%	0.255	C	S	.	.	H	α-helix	trans	-58.8	-37.3	178.7	-64.4	154.1	0	0	0	112.4	M203 S209 R210 A211 Y215 M357	M203-H207 PolarHBondContact O-CD2 2.87Å; M203-H207 PolarHBondContact O-N 2.93Å; M203-H207 PolarHBondContact O-ND1 3.15Å; H207-S209 PolarHBondContact O-N 2.92Å; H207-R210 PolarHBondContact O-N 3.39Å; H207-R210 VanDerWaalsContact O-N 3.13Å; H207-A211 HydrophobicContact CB-CB 4.18Å; H207-A211 VanDerWaalsContact O-CB 3.28Å; H207-A211 WeakPolarHBondContact O-CB 3.46Å; H207-A211 PolarHBondContact O-N 3.47Å; H207-Y215 HydrophobicContact CB-CE1 4.13Å; H207-Y215 AromaticContact CE1-CE1 3.87Å; H207-Y215 AromaticContact CE1-CZ 3.78Å; H207-Y215 PolarHBondContact CE1-OH 3.33Å; H207-Y215 AromaticContact CG-CE1 3.76Å; H207-Y215 AromaticContact ND1-CE1 3.64Å; H207-Y215 PolarHBondContact NE2-OH 2.81Å; H207-M357 PolarHBondContact CD2-SD 3.24Å; H207-M357 PolarHBondContact CE1-O 2.79Å; H207-M357 PolarHBondContact NE2-O 3.49Å
208	A	91.7	Very high	96.6	Very high	80 Å²	80	46.4 Å²	46.4	66%	0.661	25%	0.252	S	S	*	.	H	α-helix	trans	-55.8	-27.1	-177.6	0	0	0	0	0	114.2	V206	V206-A208 PolarHBondContact O-N 2.69Å
209	S	92.9	Very high	96.6	Very high	65 Å²	65	42.4 Å²	42.4	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-109.3	-10.3	179.7	61.2	0	0	0	0	114.2	V206 H207 R350	V206-S209 PolarHBondContact O-N 3.24Å; V206-S209 PolarHBondContact O-OG 2.95Å; H207-S209 PolarHBondContact O-N 2.92Å; S209-R350 PolarHBondContact O-NH1 3.09Å
210	R	96.8	Very high	96.7	Very high	83 Å²	83	47.6 Å²	47.6	31%	0.313	26%	0.255	S	S	.	.	H	α-helix	trans	-122.6	-24.6	-170.3	-62.2	-60	-166.1	171.8	3.3	114.3	V206 H207 R350 A351 L363 F367	V206-R210 PolarHBondContact O-N 3.37Å; H207-R210 PolarHBondContact O-N 3.39Å; H207-R210 VanDerWaalsContact O-N 3.13Å; R210-R350 WeakPolarHBondContact O-CA 3.28Å; R210-A351 PolarHBondContact O-N 3.45Å; R210-L363 HydrophobicContact CB-CD1 4.17Å; R210-L363 HydrophobicContact CB-CD2 4.23Å; R210-L363 HydrophobicContact CB-CG 4.38Å; R210-L363 HydrophobicContact CG-CD2 3.82Å; R210-L363 HydrophobicContact CG-CG 4.5Å; R210-F367 HydrophobicContact CB-CD2 4.41Å; R210-F367 HydrophobicContact CB-CE2 3.81Å; R210-F367 HydrophobicContact CB-CZ 4.23Å; R210-F367 HydrophobicContact CG-CD2 4.26Å; R210-F367 HydrophobicContact CG-CE2 4.15Å
211	A	98.1	Very high	96.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-83.9	150.7	-178.5	0	0	0	0	0	112.5	H207 Y215 I216 M357	H207-A211 HydrophobicContact CB-CB 4.18Å; H207-A211 VanDerWaalsContact O-CB 3.28Å; H207-A211 WeakPolarHBondContact O-CB 3.46Å; H207-A211 PolarHBondContact O-N 3.47Å; A211-Y215 HydrophobicContact CB-CD1 3.49Å; A211-Y215 VanDerWaalsContact CB-CD1 3.49Å; A211-Y215 HydrophobicContact CB-CE1 4.24Å; A211-Y215 HydrophobicContact CB-CG 3.93Å; A211-I216 HydrophobicContact CB-CD1 4.49Å; A211-I216 HydrophobicContact CB-CG1 4.05Å; A211-M357 VanDerWaalsContact CA-CE 3.45Å; A211-M357 HydrophobicContact CB-CE 3.41Å; A211-M357 VanDerWaalsContact CB-CE 3.41Å; A211-M357 HydrophobicContact CB-SD 3.89Å
212	C	97.8	Very high	96.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	25%	0.246	C	C	.	.			trans	-68.5	161.5	172.7	75.9	0	0	0	0	111.2	E214 Y215 I216 C343 R350 A351	C212-E214 VanDerWaalsContact C-N 3.28Å; C212-E214 PolarHBondContact O-N 3.4Å; C212-E214 PolarHBondContact SG-OE2 3.37Å; C212-Y215 WeakPolarHBondContact O-CB 3.34Å; C212-Y215 PolarHBondContact O-N 3.32Å; C212-I216 PolarHBondContact O-N 2.9Å; C212-I216 VanDerWaalsContact O-N 3.14Å; C212-C343 WeakPolarHBondContact CB-SG 3.43Å; C212-R350 HydrophobicContact CB-CB 3.93Å; C212-A351 PolarHBondContact N-O 2.73Å
213	R	97.4	Very high	96.9	Very high	128 Å²	128	45.5 Å²	45.5	48%	0.483	24%	0.243	S	C	.	.	H	α-helix	trans	-53.9	-45	-180	-179.2	60.4	58.5	-174.8	-1	112.3	Y215 I216 D217 E345	R213-Y215 VanDerWaalsContact C-N 3.29Å; R213-Y215 PolarHBondContact O-N 3.04Å; R213-I216 PolarHBondContact O-N 3.22Å; R213-I216 VanDerWaalsContact O-N 3.16Å; R213-D217 WeakPolarHBondContact CD-OD1 3.2Å; R213-D217 WeakPolarHBondContact CG-OD2 3.22Å; R213-D217 WeakPolarHBondContact O-CB 3.24Å; R213-D217 VanDerWaalsContact O-CG 3.25Å; R213-D217 PolarHBondContact O-N 3.47Å; R213-E345 WeakPolarHBondContact CB-OE2 3.47Å; R213-E345 PolarHBondContact N-OE2 2.81Å
214	E	97.8	Very high	97	Very high	56 Å²	56	52.4 Å²	52.4	26%	0.262	27%	0.273	S	S	.	.	H	α-helix	trans	-61.7	-38.9	-177.5	-63	82.4	177	0	0	112	C212 G218 M302 N305 I401	C212-E214 VanDerWaalsContact C-N 3.28Å; C212-E214 PolarHBondContact O-N 3.4Å; C212-E214 PolarHBondContact SG-OE2 3.37Å; E214-G218 PolarHBondContact O-N 2.88Å; E214-M302 HydrophobicContact CB-CE 4.16Å; E214-M302 HydrophobicContact CB-SD 4.24Å; E214-N305 WeakPolarHBondContact CG-ND2 3.34Å; E214-I401 HydrophobicContact CB-CD1 4.31Å; E214-I401 HydrophobicContact CG-CD1 3.81Å
215	Y	98.5	Very high	97.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64	-49	174.5	-178.6	-83	0	0	0	110.7	H207 A211 C212 R213 D217 G218 F219 I297 P301 M302 M357	H207-Y215 HydrophobicContact CB-CE1 4.13Å; H207-Y215 AromaticContact CE1-CE1 3.87Å; H207-Y215 AromaticContact CE1-CZ 3.78Å; H207-Y215 PolarHBondContact CE1-OH 3.33Å; H207-Y215 AromaticContact CG-CE1 3.76Å; H207-Y215 AromaticContact ND1-CE1 3.64Å; H207-Y215 PolarHBondContact NE2-OH 2.81Å; A211-Y215 HydrophobicContact CB-CD1 3.49Å; A211-Y215 VanDerWaalsContact CB-CD1 3.49Å; A211-Y215 HydrophobicContact CB-CE1 4.24Å; A211-Y215 HydrophobicContact CB-CG 3.93Å; C212-Y215 WeakPolarHBondContact O-CB 3.34Å; C212-Y215 PolarHBondContact O-N 3.32Å; R213-Y215 VanDerWaalsContact C-N 3.29Å; R213-Y215 PolarHBondContact O-N 3.04Å; Y215-D217 PolarHBondContact O-N 3.28Å; Y215-G218 PolarHBondContact O-N 2.92Å; Y215-F219 HydrophobicContact CE1-CB 4.39Å; Y215-F219 AromaticContact CE1-CD2 3.98Å; Y215-F219 HydrophobicContact CE1-CD2 3.98Å; Y215-F219 WeakPolarHBondContact O-CB 3.46Å; Y215-F219 PolarHBondContact O-N 3.36Å; Y215-I297 WeakPolarHBondContact CE2-O 3.38Å; Y215-I297 PolarHBondContact OH-O 2.96Å; Y215-P301 HydrophobicContact CD1-CB 4.49Å; Y215-P301 HydrophobicContact CD2-CB 3.68Å; Y215-P301 HydrophobicContact CD2-CG 4.23Å; Y215-P301 HydrophobicContact CE1-CB 4.45Å; Y215-P301 HydrophobicContact CE1-CG 4.5Å; Y215-P301 HydrophobicContact CE2-CB 3.61Å; Y215-P301 HydrophobicContact CE2-CG 3.62Å; Y215-P301 HydrophobicContact CG-CB 4.11Å; Y215-M302 HydrophobicContact CD2-CG 3.99Å; Y215-M302 HydrophobicContact CD2-SD 4.22Å; Y215-M302 HydrophobicContact CG-SD 4.45Å; Y215-M357 HydrophobicContact CD1-SD 4.43Å; Y215-M357 HydrophobicContact CD2-CB 4.38Å; Y215-M357 HydrophobicContact CD2-CG 3.77Å; Y215-M357 HydrophobicContact CD2-SD 4.36Å; Y215-M357 HydrophobicContact CE1-SD 4.25Å; Y215-M357 HydrophobicContact CE2-CB 3.6Å; Y215-M357 HydrophobicContact CE2-CG 3.48Å; Y215-M357 VanDerWaalsContact CE2-CG 3.48Å; Y215-M357 HydrophobicContact CE2-SD 4.19Å; Y215-M357 HydrophobicContact CG-CG 4.46Å
216	I	98.2	Very high	97.3	Very high	32 Å²	32	50.3 Å²	50.3	16%	0.164	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-47.1	-178	-66.2	171.2	0	0	0	110.5	A211 C212 R213 F219 Q220	A211-I216 HydrophobicContact CB-CD1 4.49Å; A211-I216 HydrophobicContact CB-CG1 4.05Å; C212-I216 PolarHBondContact O-N 2.9Å; C212-I216 VanDerWaalsContact O-N 3.14Å; R213-I216 PolarHBondContact O-N 3.22Å; R213-I216 VanDerWaalsContact O-N 3.16Å; I216-F219 PolarHBondContact O-N 3.27Å; I216-Q220 WeakPolarHBondContact O-CG 3.48Å; I216-Q220 PolarHBondContact O-N 3.15Å
217	D	98	Very high	97.4	Very high	72 Å²	72	53.3 Å²	53.3	39%	0.385	26%	0.263	S	S	.	.	H	α-helix	trans	-64.3	-42.7	179.4	-67	-7.8	0	0	0	110.6	R213 Y215 Q220 L221	R213-D217 WeakPolarHBondContact CD-OD1 3.2Å; R213-D217 WeakPolarHBondContact CG-OD2 3.22Å; R213-D217 WeakPolarHBondContact O-CB 3.24Å; R213-D217 VanDerWaalsContact O-CG 3.25Å; R213-D217 PolarHBondContact O-N 3.47Å; Y215-D217 PolarHBondContact O-N 3.28Å; D217-Q220 PolarHBondContact O-N 2.62Å; D217-L221 WeakPolarHBondContact O-CG 3.42Å; D217-L221 PolarHBondContact O-N 3.46Å; D217-L221 VanDerWaalsContact O-N 3.1Å
218	G	98.3	Very high	97.4	Very high	3 Å²	3	53.2 Å²	53.2	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-41.8	175.1	0	0	0	0	0	113.1	E214 Y215 L221 L222 P301 V304	E214-G218 PolarHBondContact O-N 2.88Å; Y215-G218 PolarHBondContact O-N 2.92Å; G218-L221 WeakPolarHBondContact O-CB 3.24Å; G218-L221 PolarHBondContact O-N 2.8Å; G218-L222 WeakPolarHBondContact O-CG 3.45Å; G218-L222 PolarHBondContact O-N 3.45Å; G218-L222 VanDerWaalsContact O-N 3.12Å; G218-P301 WeakPolarHBondContact CA-O 3.34Å; G218-V304 VanDerWaalsContact CA-CG2 3.41Å
219	F	98.2	Very high	97.8	Very high	10 Å²	10	51.3 Å²	51.3	4%	0.044	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-45.6	176.7	-160.9	-81.3	0	0	0	110.9	F200 K204 Y215 I216 L221 L222 E223 Y228 I297 P301	F200-F219 HydrophobicContact CD2-CZ 4.17Å; F200-F219 AromaticContact CE2-CE1 3.93Å; F200-F219 HydrophobicContact CE2-CE1 3.93Å; F200-F219 HydrophobicContact CE2-CE2 4.49Å; F200-F219 AromaticContact CE2-CZ 3.44Å; F200-F219 HydrophobicContact CE2-CZ 3.44Å; F200-F219 VanDerWaalsContact CE2-CZ 3.44Å; F200-F219 AromaticContact CZ-CE1 3.78Å; F200-F219 HydrophobicContact CZ-CE1 3.78Å; F200-F219 AromaticContact CZ-CZ 3.73Å; F200-F219 HydrophobicContact CZ-CZ 3.73Å; K204-F219 HydrophobicContact CD-CE1 4.1Å; K204-F219 HydrophobicContact CG-CE1 4.24Å; Y215-F219 HydrophobicContact CE1-CB 4.39Å; Y215-F219 AromaticContact CE1-CD2 3.98Å; Y215-F219 HydrophobicContact CE1-CD2 3.98Å; Y215-F219 WeakPolarHBondContact O-CB 3.46Å; Y215-F219 PolarHBondContact O-N 3.36Å; I216-F219 PolarHBondContact O-N 3.27Å; F219-L221 VanDerWaalsContact C-N 3.29Å; F219-L221 PolarHBondContact O-N 3.15Å; F219-L222 WeakPolarHBondContact O-CB 3.15Å; F219-L222 PolarHBondContact O-N 3.12Å; F219-E223 HydrophobicContact CD1-CG 3.84Å; F219-E223 HydrophobicContact CE1-CG 3.86Å; F219-E223 WeakPolarHBondContact O-CG 2.92Å; F219-E223 PolarHBondContact O-N 3.29Å; F219-Y228 HydrophobicContact CE2-CD1 4.29Å; F219-Y228 HydrophobicContact CZ-CD1 4.31Å; F219-I297 HydrophobicContact CE2-CG2 4.4Å; F219-P301 HydrophobicContact CB-CB 4.26Å; F219-P301 HydrophobicContact CB-CG 4.36Å; F219-P301 HydrophobicContact CD2-CB 4.49Å; F219-P301 HydrophobicContact CD2-CG 3.75Å
220	Q	98.2	Very high	98	Very high	110 Å²	110	50.4 Å²	50.4	51%	0.514	24%	0.235	S	C	.	.	H	α-helix	trans	-60	-37.5	177	-71.6	174.3	6.5	0	0	112.8	I216 D217 E223 K224	I216-Q220 WeakPolarHBondContact O-CG 3.48Å; I216-Q220 PolarHBondContact O-N 3.15Å; D217-Q220 PolarHBondContact O-N 2.62Å; Q220-E223 PolarHBondContact O-N 3.34Å; Q220-K224 WeakPolarHBondContact O-CB 3.38Å; Q220-K224 PolarHBondContact O-N 3.01Å; Q220-K224 VanDerWaalsContact O-N 3.09Å
221	L	98.5	Very high	98.1	Very high	66 Å²	66	54.1 Å²	54.1	35%	0.346	26%	0.256	S	S	.	.	H	α-helix	trans	-63.3	-42	173.8	-70.6	173.5	0	0	0	111.6	D217 G218 F219 K224 Y225 F242	D217-L221 WeakPolarHBondContact O-CG 3.42Å; D217-L221 PolarHBondContact O-N 3.46Å; D217-L221 VanDerWaalsContact O-N 3.1Å; G218-L221 WeakPolarHBondContact O-CB 3.24Å; G218-L221 PolarHBondContact O-N 2.8Å; F219-L221 VanDerWaalsContact C-N 3.29Å; F219-L221 PolarHBondContact O-N 3.15Å; L221-K224 PolarHBondContact O-N 3.16Å; L221-Y225 HydrophobicContact CD2-CD2 4.25Å; L221-Y225 HydrophobicContact CD2-CE2 3.8Å; L221-Y225 VanDerWaalsContact O-CD2 3.24Å; L221-Y225 WeakPolarHBondContact O-CD2 3.41Å; L221-Y225 PolarHBondContact O-N 2.79Å; L221-F242 HydrophobicContact CB-CE1 4.13Å; L221-F242 HydrophobicContact CB-CZ 3.95Å
222	L	98.5	Very high	98	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-35.4	178.1	-65.9	167.2	0	0	0	112.2	G218 F219 K224 C226 N227 Y228 I239 F242 M300 P301 V304	G218-L222 WeakPolarHBondContact O-CG 3.45Å; G218-L222 PolarHBondContact O-N 3.45Å; G218-L222 VanDerWaalsContact O-N 3.12Å; F219-L222 WeakPolarHBondContact O-CB 3.15Å; F219-L222 PolarHBondContact O-N 3.12Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 3.38Å; L222-C226 HydrophobicContact CB-CB 4.39Å; L222-C226 HydrophobicContact CD2-CB 3.96Å; L222-C226 CarbonylContact O-C 3.48Å; L222-C226 VanDerWaalsContact O-CA 3.3Å; L222-C226 WeakPolarHBondContact O-CA 3.2Å; L222-C226 VanDerWaalsContact O-CB 3.31Å; L222-C226 WeakPolarHBondContact O-CB 3.47Å; L222-C226 PolarHBondContact O-N 3.1Å; L222-N227 PolarHBondContact O-N 3.39Å; L222-Y228 HydrophobicContact CB-CD1 3.72Å; L222-Y228 HydrophobicContact CB-CD2 3.8Å; L222-Y228 HydrophobicContact CB-CE1 3.89Å; L222-Y228 HydrophobicContact CB-CE2 3.97Å; L222-Y228 HydrophobicContact CB-CG 3.7Å; L222-Y228 HydrophobicContact CD1-CD1 4.3Å; L222-Y228 HydrophobicContact CD1-CE1 3.68Å; L222-Y228 HydrophobicContact CD1-CE2 4.48Å; L222-Y228 HydrophobicContact CD2-CE2 4.26Å; L222-Y228 HydrophobicContact CG-CE1 4.33Å; L222-Y228 HydrophobicContact CG-CE2 4.46Å; L222-Y228 PolarHBondContact O-N 3.48Å; L222-I239 HydrophobicContact CD2-CG2 4.23Å; L222-F242 HydrophobicContact CD2-CD1 4.14Å; L222-F242 HydrophobicContact CD2-CE1 4.36Å; L222-M300 HydrophobicContact CD1-CB 3.74Å; L222-P301 HydrophobicContact CD1-CB 4.33Å; L222-P301 HydrophobicContact CD1-CG 3.91Å; L222-V304 HydrophobicContact CD2-CG1 4.03Å; L222-V304 HydrophobicContact CG-CG1 4.4Å
223	E	98	Very high	98.1	Very high	59 Å²	59	55.9 Å²	55.9	28%	0.276	27%	0.267	S	S	.	.	H	α-helix	trans	-61.1	-43.8	171	-61.3	-158.3	111.8	0	0	111.3	K204 F219 Q220	K204-E223 WeakPolarHBondContact CE-OE1 3.49Å; K204-E223 WeakPolarHBondContact CE-OE2 3.45Å; K204-E223 IonicContact NZ-OE1 3.39Å; K204-E223 PolarHBondContact NZ-OE1 3.1Å; K204-E223 IonicContact NZ-OE2 3.23Å; K204-E223 PolarHBondContact NZ-OE2 3.43Å; F219-E223 HydrophobicContact CD1-CG 3.84Å; F219-E223 HydrophobicContact CE1-CG 3.86Å; F219-E223 WeakPolarHBondContact O-CG 2.92Å; F219-E223 PolarHBondContact O-N 3.29Å; Q220-E223 PolarHBondContact O-N 3.34Å
224	K	98.1	Very high	98.1	Very high	146 Å²	146	49.8 Å²	49.8	64%	0.635	24%	0.244	S	C	*	.	H	α-helix	trans	-72.3	-38.7	-176	-172.5	174.5	178.7	-168.6	0	113.6	Q220 L221 L222	Q220-K224 WeakPolarHBondContact O-CB 3.38Å; Q220-K224 PolarHBondContact O-N 3.01Å; Q220-K224 VanDerWaalsContact O-N 3.09Å; L221-K224 PolarHBondContact O-N 3.16Å; L222-K224 VanDerWaalsContact C-N 3.32Å; L222-K224 PolarHBondContact O-N 3.38Å
225	Y	98.3	Very high	98.1	Very high	114 Å²	114	48.8 Å²	48.8	45%	0.447	24%	0.24	S	C	.	.	H	α-helix	trans	-118.7	-14.6	-167.5	-58.8	-65.3	0	0	0	114.9	L221 F242	L221-Y225 HydrophobicContact CD2-CD2 4.25Å; L221-Y225 HydrophobicContact CD2-CE2 3.8Å; L221-Y225 VanDerWaalsContact O-CD2 3.24Å; L221-Y225 WeakPolarHBondContact O-CD2 3.41Å; L221-Y225 PolarHBondContact O-N 2.79Å; Y225-F242 HydrophobicContact CD2-CD2 4.37Å; Y225-F242 AromaticContact CD2-CE2 3.38Å; Y225-F242 HydrophobicContact CD2-CE2 3.38Å; Y225-F242 AromaticContact CD2-CZ 3.59Å; Y225-F242 HydrophobicContact CD2-CZ 3.59Å; Y225-F242 HydrophobicContact CE2-CE2 4.21Å; Y225-F242 HydrophobicContact CE2-CZ 4.39Å; Y225-F242 HydrophobicContact CG-CD2 4.22Å; Y225-F242 AromaticContact CG-CE2 3.62Å; Y225-F242 HydrophobicContact CG-CE2 3.62Å; Y225-F242 HydrophobicContact CG-CZ 4.22Å
226	C	98.2	Very high	98.1	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	24%	0.24	C	C	.	.	S	Bend	trans	-124.4	15	-171.9	-61.7	0	0	0	0	113.7	L222 Y228 I239 F242	L222-C226 HydrophobicContact CB-CB 4.39Å; L222-C226 HydrophobicContact CD2-CB 3.96Å; L222-C226 CarbonylContact O-C 3.48Å; L222-C226 VanDerWaalsContact O-CA 3.3Å; L222-C226 WeakPolarHBondContact O-CA 3.2Å; L222-C226 VanDerWaalsContact O-CB 3.31Å; L222-C226 WeakPolarHBondContact O-CB 3.47Å; L222-C226 PolarHBondContact O-N 3.1Å; C226-Y228 VanDerWaalsContact C-N 3.31Å; C226-Y228 HydrophobicContact CB-CD2 4.03Å; C226-Y228 HydrophobicContact CB-CE2 4.14Å; C226-Y228 PolarHBondContact O-N 3.47Å; C226-I239 HydrophobicContact CB-CG1 4.08Å; C226-F242 WeakPolarHBondContact SG-CB 3.19Å; C226-F242 VanDerWaalsContact SG-CD1 3.54Å; C226-F242 WeakPolarHBondContact SG-CG 3.4Å
227	N	96.8	Very high	98.1	Very high	87 Å²	87	48.4 Å²	48.4	47%	0.465	24%	0.237	S	C	.	.			trans	60.1	36.3	177.9	-169.3	50.4	0	0	0	113.5	L222 N229 S232	L222-N227 PolarHBondContact O-N 3.39Å; N227-N229 PolarHBondContact O-N 2.96Å; N227-N229 PolarHBondContact O-ND2 3.12Å; N227-N229 PolarHBondContact OD1-ND2 2.81Å; N227-S232 PolarHBondContact ND2-OG 2.84Å
228	Y	98.3	Very high	98.2	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.016	23%	0.234	C	C	.	.			trans	-74.8	113.3	171	-82.2	-140.8	0	0	0	109.3	F200 F219 L222 C226 P234 I239 L296 M300	F200-Y228 HydrophobicContact CE2-CD1 4.41Å; F219-Y228 HydrophobicContact CE2-CD1 4.29Å; F219-Y228 HydrophobicContact CZ-CD1 4.31Å; L222-Y228 HydrophobicContact CB-CD1 3.72Å; L222-Y228 HydrophobicContact CB-CD2 3.8Å; L222-Y228 HydrophobicContact CB-CE1 3.89Å; L222-Y228 HydrophobicContact CB-CE2 3.97Å; L222-Y228 HydrophobicContact CB-CG 3.7Å; L222-Y228 HydrophobicContact CD1-CD1 4.3Å; L222-Y228 HydrophobicContact CD1-CE1 3.68Å; L222-Y228 HydrophobicContact CD1-CE2 4.48Å; L222-Y228 HydrophobicContact CD2-CE2 4.26Å; L222-Y228 HydrophobicContact CG-CE1 4.33Å; L222-Y228 HydrophobicContact CG-CE2 4.46Å; L222-Y228 PolarHBondContact O-N 3.48Å; C226-Y228 VanDerWaalsContact C-N 3.31Å; C226-Y228 HydrophobicContact CB-CD2 4.03Å; C226-Y228 HydrophobicContact CB-CE2 4.14Å; C226-Y228 PolarHBondContact O-N 3.47Å; Y228-P234 HydrophobicContact CD2-CB 3.81Å; Y228-P234 HydrophobicContact CD2-CG 3.27Å; Y228-P234 HydrophobicContact CE2-CB 3.62Å; Y228-P234 HydrophobicContact CE2-CG 3.45Å; Y228-P234 VanDerWaalsContact CE2-CG 3.45Å; Y228-P234 HydrophobicContact CG-CG 4.02Å; Y228-I239 HydrophobicContact CE2-CD1 3.84Å; Y228-I239 HydrophobicContact CE2-CG1 4.2Å; Y228-L296 WeakPolarHBondContact CE1-O 3.45Å; Y228-L296 WeakPolarHBondContact OH-CB 3.29Å; Y228-L296 PolarHBondContact OH-O 2.85Å; Y228-M300 WeakPolarHBondContact OH-CB 3.22Å; Y228-M300 WeakPolarHBondContact OH-CG 3.39Å
229	N	98	Very high	98.2	Very high	41 Å²	41	47.4 Å²	47.4	22%	0.219	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-159.9	173.3	174.4	57.1	69.4	0	0	0	109.2	W196 N227 E231 S232	W196-N229 PolarHBondContact NE1-O 2.91Å; N227-N229 PolarHBondContact O-N 2.96Å; N227-N229 PolarHBondContact O-ND2 3.12Å; N227-N229 PolarHBondContact OD1-ND2 2.81Å; N229-E231 VanDerWaalsContact C-N 3.3Å; N229-E231 PolarHBondContact O-N 3.19Å; N229-E231 WeakPolarHBondContact OD1-CA 3.18Å; N229-E231 PolarHBondContact OD1-N 3.3Å; N229-S232 PolarHBondContact ND2-OG 3.27Å; N229-S232 PolarHBondContact OD1-N 3.35Å; N229-S232 PolarHBondContact OD1-OG 3.34Å
230	S	97.8	Very high	98.2	Very high	46 Å²	46	47.5 Å²	47.5	32%	0.322	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-9	179.4	53.2	0	0	0	0	114.8	G197	G197-S230 WeakPolarHBondContact CA-O 3.28Å
231	E	98.3	Very high	98.2	Very high	161 Å²	161	45.8 Å²	45.8	75%	0.752	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-8.6	-169.8	-60.7	-178.4	178.8	0	0	113.2	I193 N229	I193-E231 WeakPolarHBondContact CG2-O 3.45Å; N229-E231 VanDerWaalsContact C-N 3.3Å; N229-E231 PolarHBondContact O-N 3.19Å; N229-E231 WeakPolarHBondContact OD1-CA 3.18Å; N229-E231 PolarHBondContact OD1-N 3.3Å
232	S	97.6	Very high	98.2	Very high	29 Å²	29	43.3 Å²	43.3	20%	0.203	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-155	142	-177.7	55.6	0	0	0	0	111.6	W196 N227 N229 P234	W196-S232 PolarHBondContact NE1-O 3.01Å; W196-S232 VanDerWaalsContact NE1-O 3.09Å; N227-S232 PolarHBondContact ND2-OG 2.84Å; N229-S232 PolarHBondContact ND2-OG 3.27Å; N229-S232 PolarHBondContact OD1-N 3.35Å; N229-S232 PolarHBondContact OD1-OG 3.34Å; S232-P234 WeakPolarHBondContact O-CD 3.48Å
233	I	98.4	Very high	98.2	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.041	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-81.4	123.3	172.5	-62	169.5	0	0	0	108.4	Y188 E192 W196 I278 L296	Y188-I233 HydrophobicContact CD1-CB 4.48Å; Y188-I233 HydrophobicContact CD1-CD1 3.51Å; Y188-I233 HydrophobicContact CD2-CB 3.63Å; Y188-I233 HydrophobicContact CD2-CD1 4.18Å; Y188-I233 HydrophobicContact CD2-CG1 4.43Å; Y188-I233 HydrophobicContact CD2-CG2 3.95Å; Y188-I233 HydrophobicContact CE1-CD1 3.91Å; Y188-I233 HydrophobicContact CE1-CG2 4.18Å; Y188-I233 HydrophobicContact CE2-CB 3.72Å; Y188-I233 HydrophobicContact CE2-CG2 3.47Å; Y188-I233 VanDerWaalsContact CE2-CG2 3.47Å; Y188-I233 HydrophobicContact CG-CB 4.03Å; Y188-I233 HydrophobicContact CG-CD1 3.66Å; Y188-I233 HydrophobicContact CG-CG1 4.34Å; Y188-I233 HydrophobicContact CG-CG2 4.48Å; E192-I233 HydrophobicContact CB-CD1 4.19Å; W196-I233 HydrophobicContact CB-CD1 3.9Å; W196-I233 HydrophobicContact CB-CG1 3.51Å; W196-I233 HydrophobicContact CD2-CG1 3.87Å; W196-I233 HydrophobicContact CE3-CG1 4.24Å; W196-I233 HydrophobicContact CE3-CG2 4.48Å; W196-I233 HydrophobicContact CG-CD1 4.42Å; W196-I233 HydrophobicContact CG-CG1 3.52Å; I233-I278 HydrophobicContact CD1-CD1 3.94Å; I233-L296 HydrophobicContact CG2-CD1 4.25Å
234	P	98.3	Very high	98.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-59.1	140.8	176.9	-27.9	37.3	0	0	0	113.4	W196 Y228 S232 I239 L296	W196-P234 HydrophobicContact CH2-CG 4.21Å; W196-P234 VanDerWaalsContact CZ2-CD 3.42Å; W196-P234 HydrophobicContact CZ2-CG 3.96Å; Y228-P234 HydrophobicContact CD2-CB 3.81Å; Y228-P234 HydrophobicContact CD2-CG 3.27Å; Y228-P234 HydrophobicContact CE2-CB 3.62Å; Y228-P234 HydrophobicContact CE2-CG 3.45Å; Y228-P234 VanDerWaalsContact CE2-CG 3.45Å; Y228-P234 HydrophobicContact CG-CG 4.02Å; S232-P234 WeakPolarHBondContact O-CD 3.48Å; P234-I239 HydrophobicContact CB-CD1 3.79Å; P234-I239 HydrophobicContact CB-CG1 4.35Å; P234-L296 HydrophobicContact CB-CD1 4.3Å
235	Q	98.3	Very high	98.1	Very high	36 Å²	36	45.7 Å²	45.7	17%	0.168	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-84.6	134.8	176.9	-64.5	-62.8	-37.6	0	0	111.4	E185 V186 Q237 T238 I239	E185-Q235 VanDerWaalsContact CA-OE1 3.27Å; E185-Q235 HydrophobicContact CG-CG 4.22Å; V186-Q235 PolarHBondContact O-NE2 2.87Å; Q235-Q237 PolarHBondContact O-N 3.18Å; Q235-T238 PolarHBondContact O-N 3.35Å; Q235-I239 WeakPolarHBondContact O-CG1 3.47Å; Q235-I239 PolarHBondContact O-N 2.81Å
236	L	98.5	Very high	98.1	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-57.4	-37	-176.6	-64.9	-164.8	0	0	0	113.2	I183 T238 I239 C240 I251 P253 C274 Q276 L296	I183-L236 HydrophobicContact CD1-CB 3.89Å; I183-L236 HydrophobicContact CG2-CB 4.01Å; I183-L236 HydrophobicContact CG2-CD1 4.44Å; L236-T238 PolarHBondContact O-N 3.39Å; L236-I239 PolarHBondContact O-N 3.21Å; L236-C240 WeakPolarHBondContact O-CB 3.21Å; L236-C240 PolarHBondContact O-N 3.19Å; L236-I251 HydrophobicContact CB-CG2 4.22Å; L236-I251 HydrophobicContact CD1-CG2 3.86Å; L236-I251 HydrophobicContact CD2-CD1 4.48Å; L236-I251 HydrophobicContact CD2-CG2 4.43Å; L236-I251 HydrophobicContact CG-CG2 4.4Å; L236-P253 HydrophobicContact CD1-CB 4.4Å; L236-C274 HydrophobicContact CD1-CB 4.08Å; L236-C274 HydrophobicContact CD2-CB 4.43Å; L236-C274 VanDerWaalsContact CD2-SG 3.5Å; L236-Q276 HydrophobicContact CD1-CG 3.22Å; L236-Q276 HydrophobicContact CG-CG 3.78Å; L236-L296 HydrophobicContact CD2-CD2 3.76Å
237	Q	98.3	Very high	98	Very high	22 Å²	22	43 Å²	43	10%	0.103	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-43	-178.4	-176.2	56.3	37	0	0	112.6	R182 I183 Q235 I239 C240 E241	R182-Q237 HydrophobicContact CG-CG 3.68Å; I183-Q237 HydrophobicContact CB-CB 4.14Å; Q235-Q237 PolarHBondContact O-N 3.18Å; Q237-I239 VanDerWaalsContact C-N 3.33Å; Q237-I239 PolarHBondContact O-N 3.45Å; Q237-C240 WeakPolarHBondContact O-CB 3.39Å; Q237-C240 PolarHBondContact O-N 2.86Å; Q237-E241 PolarHBondContact NE2-OE1 3.1Å; Q237-E241 WeakPolarHBondContact O-CG 3.34Å; Q237-E241 PolarHBondContact O-N 3.23Å
238	T	98.4	Very high	98.1	Very high	53 Å²	53	40.1 Å²	40.1	33%	0.325	21%	0.205	S	C	.	.	H	α-helix	trans	-62.4	-43.1	177.4	-57.2	0	0	0	0	111	Q235 L236 F242	Q235-T238 PolarHBondContact O-N 3.35Å; L236-T238 PolarHBondContact O-N 3.39Å; T238-F242 WeakPolarHBondContact O-CB 3.37Å; T238-F242 PolarHBondContact O-N 3.25Å; T238-F242 VanDerWaalsContact O-N 3.1Å
239	I	98.6	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-68.5	-42.6	179.3	-53.2	168.7	0	0	0	110.4	L222 C226 Y228 P234 Q235 L236 Q237 E241 F242 M243 I251 L296 M300	L222-I239 HydrophobicContact CD2-CG2 4.23Å; C226-I239 HydrophobicContact CB-CG1 4.08Å; Y228-I239 HydrophobicContact CE2-CD1 3.84Å; Y228-I239 HydrophobicContact CE2-CG1 4.2Å; P234-I239 HydrophobicContact CB-CD1 3.79Å; P234-I239 HydrophobicContact CB-CG1 4.35Å; Q235-I239 WeakPolarHBondContact O-CG1 3.47Å; Q235-I239 PolarHBondContact O-N 2.81Å; L236-I239 PolarHBondContact O-N 3.21Å; Q237-I239 VanDerWaalsContact C-N 3.33Å; Q237-I239 PolarHBondContact O-N 3.45Å; I239-E241 PolarHBondContact O-N 2.93Å; I239-F242 PolarHBondContact O-N 3.09Å; I239-F242 VanDerWaalsContact O-N 3.16Å; I239-M243 HydrophobicContact CG2-CG 4.08Å; I239-M243 HydrophobicContact CG2-SD 3.65Å; I239-M243 WeakPolarHBondContact O-CB 3.26Å; I239-M243 WeakPolarHBondContact O-CG 3.44Å; I239-M243 PolarHBondContact O-N 2.92Å; I239-I251 HydrophobicContact CB-CD1 3.79Å; I239-I251 HydrophobicContact CG2-CD1 3.65Å; I239-L296 HydrophobicContact CD1-CD1 4.46Å; I239-L296 HydrophobicContact CD1-CD2 3.43Å; I239-L296 VanDerWaalsContact CD1-CD2 3.43Å; I239-L296 HydrophobicContact CD1-CG 4.5Å; I239-M300 HydrophobicContact CG2-CG 4.21Å; I239-M300 HydrophobicContact CG2-SD 4.07Å
240	C	98.4	Very high	98.1	Very high	12 Å²	12	40.6 Å²	40.6	8%	0.081	20%	0.204	C	C	.	.	H	α-helix	trans	-55.8	-49.5	176.8	-175.4	0	0	0	0	111.3	I183 L236 Q237 F242 H244 I251	I183-C240 HydrophobicContact CD1-CB 4.15Å; L236-C240 WeakPolarHBondContact O-CB 3.21Å; L236-C240 PolarHBondContact O-N 3.19Å; Q237-C240 WeakPolarHBondContact O-CB 3.39Å; Q237-C240 PolarHBondContact O-N 2.86Å; C240-F242 VanDerWaalsContact C-N 3.32Å; C240-F242 PolarHBondContact O-N 2.63Å; C240-H244 VanDerWaalsContact O-CB 3.29Å; C240-H244 WeakPolarHBondContact O-CB 3.34Å; C240-H244 PolarHBondContact O-N 3.49Å; C240-I251 HydrophobicContact CB-CB 3.99Å; C240-I251 HydrophobicContact CB-CG1 4.33Å; C240-I251 PolarHBondContact SG-N 3.44Å
241	E	98.3	Very high	98.1	Very high	74 Å²	74	38.5 Å²	38.5	35%	0.346	19%	0.19	S	C	.	.	H	α-helix	trans	-63.4	-37.5	177.5	-72	171.8	-162.1	0	0	112.4	R182 Q237 I239 R245	R182-E241 IonicContact CZ-OE1 3.83Å; R182-E241 IonicContact NH1-OE1 3Å; R182-E241 PolarHBondContact NH1-OE1 2.9Å; Q237-E241 PolarHBondContact NE2-OE1 3.1Å; Q237-E241 WeakPolarHBondContact O-CG 3.34Å; Q237-E241 PolarHBondContact O-N 3.23Å; I239-E241 PolarHBondContact O-N 2.93Å; E241-R245 WeakPolarHBondContact O-CG 3.48Å; E241-R245 PolarHBondContact O-NH1 3.1Å
242	F	98.5	Very high	98.1	Very high	14 Å²	14	31.3 Å²	31.3	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-68.5	-52.6	177.2	-178.4	-104.8	0	0	0	112	L221 L222 Y225 C226 T238 I239 C240 H244 R245 T246 V304	L221-F242 HydrophobicContact CB-CE1 4.13Å; L221-F242 HydrophobicContact CB-CZ 3.95Å; L222-F242 HydrophobicContact CD2-CD1 4.14Å; L222-F242 HydrophobicContact CD2-CE1 4.36Å; Y225-F242 HydrophobicContact CD2-CD2 4.37Å; Y225-F242 AromaticContact CD2-CE2 3.38Å; Y225-F242 HydrophobicContact CD2-CE2 3.38Å; Y225-F242 AromaticContact CD2-CZ 3.59Å; Y225-F242 HydrophobicContact CD2-CZ 3.59Å; Y225-F242 HydrophobicContact CE2-CE2 4.21Å; Y225-F242 HydrophobicContact CE2-CZ 4.39Å; Y225-F242 HydrophobicContact CG-CD2 4.22Å; Y225-F242 AromaticContact CG-CE2 3.62Å; Y225-F242 HydrophobicContact CG-CE2 3.62Å; Y225-F242 HydrophobicContact CG-CZ 4.22Å; C226-F242 WeakPolarHBondContact SG-CB 3.19Å; C226-F242 VanDerWaalsContact SG-CD1 3.54Å; C226-F242 WeakPolarHBondContact SG-CG 3.4Å; T238-F242 WeakPolarHBondContact O-CB 3.37Å; T238-F242 PolarHBondContact O-N 3.25Å; T238-F242 VanDerWaalsContact O-N 3.1Å; I239-F242 PolarHBondContact O-N 3.09Å; I239-F242 VanDerWaalsContact O-N 3.16Å; C240-F242 VanDerWaalsContact C-N 3.32Å; C240-F242 PolarHBondContact O-N 2.63Å; F242-H244 PolarHBondContact O-N 3.1Å; F242-R245 PolarHBondContact O-N 3.22Å; F242-T246 HydrophobicContact CD1-CG2 4.26Å; F242-T246 HydrophobicContact CD2-CG2 4.35Å; F242-T246 HydrophobicContact CE1-CG2 3.79Å; F242-T246 HydrophobicContact CE2-CG2 3.87Å; F242-T246 HydrophobicContact CZ-CG2 3.56Å; F242-T246 PolarHBondContact O-N 2.96Å; F242-T246 VanDerWaalsContact O-N 3.09Å; F242-T246 PolarHBondContact O-OG1 3.47Å; F242-V304 HydrophobicContact CD1-CG1 4.07Å; F242-V304 HydrophobicContact CE1-CG1 3.91Å
243	M	98.2	Very high	98	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-37.9	178.6	-74.6	177.4	61.5	0	0	112.1	I239 R245 T246 S247 G248 F249 I251 M300 L303 V304	I239-M243 HydrophobicContact CG2-CG 4.08Å; I239-M243 HydrophobicContact CG2-SD 3.65Å; I239-M243 WeakPolarHBondContact O-CB 3.26Å; I239-M243 WeakPolarHBondContact O-CG 3.44Å; I239-M243 PolarHBondContact O-N 2.92Å; M243-R245 PolarHBondContact O-N 2.64Å; M243-T246 WeakPolarHBondContact CA-OG1 3.41Å; M243-T246 PolarHBondContact O-N 3.32Å; M243-T246 VanDerWaalsContact O-N 3.15Å; M243-T246 PolarHBondContact O-OG1 3.05Å; M243-S247 PolarHBondContact O-N 3.45Å; M243-S247 PolarHBondContact O-OG 3.24Å; M243-G248 PolarHBondContact O-N 3.04Å; M243-G248 VanDerWaalsContact O-N 3.13Å; M243-F249 CarbonylContact C-O 3.59Å; M243-F249 VanDerWaalsContact CB-O 3.29Å; M243-F249 WeakPolarHBondContact CB-O 3.49Å; M243-F249 HydrophobicContact CE-CB 3.69Å; M243-I251 HydrophobicContact SD-CD1 4.07Å; M243-I251 HydrophobicContact SD-CG1 4.19Å; M243-M300 HydrophobicContact CE-SD 4.05Å; M243-M300 HydrophobicContact SD-SD 3.37Å; M243-L303 HydrophobicContact CE-CB 3.41Å; M243-L303 VanDerWaalsContact CE-CB 3.41Å; M243-L303 HydrophobicContact CE-CD1 4.05Å; M243-L303 HydrophobicContact CE-CG 4.37Å; M243-V304 HydrophobicContact CG-CG1 3.73Å
244	H	97.6	Very high	97.8	Very high	80 Å²	80	30.5 Å²	30.5	37%	0.37	15%	0.15	S	C	.	.	H	α-helix	trans	-62.7	-35	179.4	-171.4	47.3	0	0	0	111.4	C240 F242 G248 F249 R250	C240-H244 VanDerWaalsContact O-CB 3.29Å; C240-H244 WeakPolarHBondContact O-CB 3.34Å; C240-H244 PolarHBondContact O-N 3.49Å; F242-H244 PolarHBondContact O-N 3.1Å; H244-G248 PolarHBondContact ND1-O 3.39Å; H244-G248 VanDerWaalsContact O-CA 3.3Å; H244-G248 WeakPolarHBondContact O-CA 3.36Å; H244-G248 PolarHBondContact O-N 2.85Å; H244-F249 WeakPolarHBondContact CA-O 3.25Å; H244-F249 PolarHBondContact N-O 3.05Å; H244-R250 HydrophobicContact CB-CG 4.05Å; H244-R250 VanDerWaalsContact CE1-CZ 3.42Å; H244-R250 PolarHBondContact CE1-NE 3.39Å; H244-R250 VanDerWaalsContact CE1-NE 3.31Å; H244-R250 PolarHBondContact CE1-NH2 3.03Å; H244-R250 PolarHBondContact ND1-NE 3.05Å; H244-R250 PolarHBondContact NE2-NH2 3.47Å
245	R	97.2	Very high	97.5	Very high	176 Å²	176	30.8 Å²	30.8	66%	0.664	15%	0.152	S	C	*	.	H	α-helix	trans	-78.3	-29.3	175.8	-65.9	-171.3	-58.7	-100.4	1.4	113.8	E241 F242 M243	E241-R245 WeakPolarHBondContact O-CG 3.48Å; E241-R245 PolarHBondContact O-NH1 3.1Å; F242-R245 PolarHBondContact O-N 3.22Å; M243-R245 PolarHBondContact O-N 2.64Å
246	T	97	Very high	97	Very high	51 Å²	51	29.1 Å²	29.1	31%	0.313	15%	0.145	S	C	.	.	H	α-helix	trans	-92	-41.2	-174.1	56.4	0	0	0	0	113.5	F242 M243	F242-T246 HydrophobicContact CD1-CG2 4.26Å; F242-T246 HydrophobicContact CD2-CG2 4.35Å; F242-T246 HydrophobicContact CE1-CG2 3.79Å; F242-T246 HydrophobicContact CE2-CG2 3.87Å; F242-T246 HydrophobicContact CZ-CG2 3.56Å; F242-T246 PolarHBondContact O-N 2.96Å; F242-T246 VanDerWaalsContact O-N 3.09Å; F242-T246 PolarHBondContact O-OG1 3.47Å; M243-T246 WeakPolarHBondContact CA-OG1 3.41Å; M243-T246 PolarHBondContact O-N 3.32Å; M243-T246 VanDerWaalsContact O-N 3.15Å; M243-T246 PolarHBondContact O-OG1 3.05Å
247	S	98	Very high	96.3	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.042	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132	0.5	-174.3	65.9	0	0	0	0	113.6	M243 F249 R270 L303	M243-S247 PolarHBondContact O-N 3.45Å; M243-S247 PolarHBondContact O-OG 3.24Å; S247-F249 PolarHBondContact O-N 3.09Å; S247-R270 PolarHBondContact O-NH1 2.65Å; S247-L303 WeakPolarHBondContact CB-O 3.48Å; S247-L303 PolarHBondContact OG-O 3.4Å
248	G	97.7	Very high	95.8	Very high	27 Å²	27	31.1 Å²	31.1	28%	0.278	16%	0.156	S	C	.	.	S	Bend	trans	78.5	-9	-176.3	0	0	0	0	0	114	M243 H244	M243-G248 PolarHBondContact O-N 3.04Å; M243-G248 VanDerWaalsContact O-N 3.13Å; H244-G248 PolarHBondContact ND1-O 3.39Å; H244-G248 VanDerWaalsContact O-CA 3.3Å; H244-G248 WeakPolarHBondContact O-CA 3.36Å; H244-G248 PolarHBondContact O-N 2.85Å
249	F	98.3	Very high	95.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.148	C	C	.	.			trans	-73	146.4	178.7	-93.6	-110.3	0	0	0	113.1	M243 H244 S247 L267 R270 F272 L303 A309 Q313	M243-F249 CarbonylContact C-O 3.59Å; M243-F249 VanDerWaalsContact CB-O 3.29Å; M243-F249 WeakPolarHBondContact CB-O 3.49Å; M243-F249 HydrophobicContact CE-CB 3.69Å; H244-F249 WeakPolarHBondContact CA-O 3.25Å; H244-F249 PolarHBondContact N-O 3.05Å; S247-F249 PolarHBondContact O-N 3.09Å; F249-L267 HydrophobicContact CE1-CD2 4.06Å; F249-R270 CarbonylContact C-O 3.48Å; F249-R270 WeakPolarHBondContact CA-O 3.45Å; F249-R270 HydrophobicContact CB-CB 4.49Å; F249-R270 HydrophobicContact CD1-CB 4.27Å; F249-R270 WeakPolarHBondContact CD1-O 3.31Å; F249-R270 HydrophobicContact CD2-CB 3.56Å; F249-R270 HydrophobicContact CD2-CG 3.82Å; F249-R270 HydrophobicContact CE1-CB 4.4Å; F249-R270 HydrophobicContact CE2-CB 3.68Å; F249-R270 HydrophobicContact CE2-CG 3.6Å; F249-R270 HydrophobicContact CG-CB 3.87Å; F249-R270 HydrophobicContact CZ-CB 4.12Å; F249-R270 HydrophobicContact CZ-CG 4.24Å; F249-F272 HydrophobicContact CD1-CB 4.31Å; F249-L303 HydrophobicContact CD1-CD2 4.22Å; F249-L303 HydrophobicContact CE1-CD2 4.1Å; F249-L303 HydrophobicContact CZ-CD2 4.45Å; F249-A309 HydrophobicContact CD2-CB 3.6Å; F249-A309 HydrophobicContact CE2-CB 3.62Å; F249-A309 WeakPolarHBondContact CE2-O 3.31Å; F249-Q313 HydrophobicContact CE2-CB 4.44Å; F249-Q313 HydrophobicContact CZ-CB 4.48Å
250	R	97.9	Very high	95.1	Very high	56 Å²	56	32.5 Å²	32.5	21%	0.211	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	162.2	171.7	-65.9	-177.4	-170.7	137.2	-1.8	109.9	H244 R270 V271 F272 E428	H244-R250 HydrophobicContact CB-CG 4.05Å; H244-R250 VanDerWaalsContact CE1-CZ 3.42Å; H244-R250 PolarHBondContact CE1-NE 3.39Å; H244-R250 VanDerWaalsContact CE1-NE 3.31Å; H244-R250 PolarHBondContact CE1-NH2 3.03Å; H244-R250 PolarHBondContact ND1-NE 3.05Å; H244-R250 PolarHBondContact NE2-NH2 3.47Å; R250-R270 PolarHBondContact N-O 2.88Å; R250-V271 WeakPolarHBondContact O-CA 3.48Å; R250-F272 PolarHBondContact O-N 3.47Å; R250-E428 IonicContact CZ-OE1 3.82Å; R250-E428 IonicContact NH1-OE1 2.56Å; R250-E428 PolarHBondContact NH1-OE1 3.25Å; R250-E428 IonicContact NH1-OE2 3.8Å; R250-E428 IonicContact NH2-OE1 2.93Å; R250-E428 PolarHBondContact NH2-OE1 2.92Å
251	I	98.2	Very high	94.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	140.5	174	-62.8	175.7	0	0	0	109.2	I183 L236 I239 C240 M243 F272 C274 M300	I183-I251 HydrophobicContact CD1-CB 4.21Å; I183-I251 HydrophobicContact CD1-CG2 4.17Å; L236-I251 HydrophobicContact CB-CG2 4.22Å; L236-I251 HydrophobicContact CD1-CG2 3.86Å; L236-I251 HydrophobicContact CD2-CD1 4.48Å; L236-I251 HydrophobicContact CD2-CG2 4.43Å; L236-I251 HydrophobicContact CG-CG2 4.4Å; I239-I251 HydrophobicContact CB-CD1 3.79Å; I239-I251 HydrophobicContact CG2-CD1 3.65Å; C240-I251 HydrophobicContact CB-CB 3.99Å; C240-I251 HydrophobicContact CB-CG1 4.33Å; C240-I251 PolarHBondContact SG-N 3.44Å; M243-I251 HydrophobicContact SD-CD1 4.07Å; M243-I251 HydrophobicContact SD-CG1 4.19Å; I251-F272 CarbonylContact C-O 3.4Å; I251-F272 WeakPolarHBondContact CA-O 3.46Å; I251-C274 HydrophobicContact CG2-CB 3.38Å; I251-M300 HydrophobicContact CD1-SD 3.68Å; I251-M300 HydrophobicContact CG1-SD 4.27Å
252	R	97.6	Very high	94.5	Very high	10 Å²	10	31.7 Å²	31.7	4%	0.038	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.9	167.6	178	178.9	-173.5	96.7	14.4	108.7	D138 Y177 V271 F272 Q273 C274	D138-R252 IonicContact OD1-CZ 2.93Å; D138-R252 IonicContact OD1-NH1 2.66Å; D138-R252 PolarHBondContact OD1-NH1 3.48Å; D138-R252 IonicContact OD1-NH2 3.5Å; D138-R252 PolarHBondContact OD1-NH2 2.91Å; Y177-R252 HydrophobicContact CD1-CG 4.07Å; Y177-R252 HydrophobicContact CE1-CG 3.9Å; R252-V271 HydrophobicContact CB-CG1 3.52Å; R252-F272 PolarHBondContact N-O 3.03Å; R252-Q273 CarbonylContact O-C 3.09Å; R252-Q273 WeakPolarHBondContact O-CA 3.37Å; R252-C274 PolarHBondContact O-N 2.79Å
253	P	96.9	Very high	94.3	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	138.4	177.4	29	-35.7	0	0	0	110.6	A174 Y177 I183 L236 C274 Q276	A174-P253 HydrophobicContact CB-CB 4.24Å; Y177-P253 HydrophobicContact CD1-CG 3.96Å; Y177-P253 HydrophobicContact CD2-CG 3.72Å; Y177-P253 HydrophobicContact CE2-CG 4.32Å; Y177-P253 HydrophobicContact CG-CG 3.5Å; I183-P253 HydrophobicContact CG2-CB 4.29Å; I183-P253 HydrophobicContact CG2-CG 4.12Å; L236-P253 HydrophobicContact CD1-CB 4.4Å; P253-C274 WeakPolarHBondContact CA-O 3.46Å; P253-Q276 VanDerWaalsContact CB-OE1 3.31Å
254	V	94.6	Very high	94.3	Very high	19 Å²	19	32.8 Å²	32.8	12%	0.115	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.5	178.6	79.2	0	0	0	0	111.4	L143 A174 G256 V258 Q273 C274 T275	L143-V254 HydrophobicContact CD2-CG2 4.17Å; A174-V254 VanDerWaalsContact CB-C 3.47Å; V254-G256 VanDerWaalsContact C-N 3.35Å; V254-V258 HydrophobicContact CG2-CG2 3.31Å; V254-Q273 HydrophobicContact CB-CB 4.16Å; V254-Q273 HydrophobicContact CG1-CB 4.19Å; V254-C274 PolarHBondContact N-O 3.3Å; V254-T275 HydrophobicContact CG1-CG2 3.67Å
255	A	90.6	Very high	94.2	Very high	5 Å²	5	29.2 Å²	29.2	4%	0.041	15%	0.15	C	C	.	.	S	Bend	trans	-82.9	-11.1	-173.1	0	0	0	0	0	113.9	L143 A171 A174 F175	L143-A255 HydrophobicContact CD1-CB 4.03Å; A171-A255 HydrophobicContact CB-CB 3.88Å; A174-A255 HydrophobicContact CB-CB 4Å; F175-A255 HydrophobicContact CD2-CB 4.46Å; F175-A255 HydrophobicContact CE1-CB 4.1Å; F175-A255 HydrophobicContact CE2-CB 3.91Å; F175-A255 HydrophobicContact CZ-CB 3.7Å
256	G	87.7	Confident	94.3	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.021	12%	0.119	C	C	.	.	S	Bend	trans	171.1	-159.4	-175.7	0	0	0	0	0	111	V254 V258	V254-G256 VanDerWaalsContact C-N 3.35Å; G256-V258 PolarHBondContact O-N 3.19Å
257	L	84.7	Confident	94.4	Very high	54 Å²	54	18.5 Å²	18.5	28%	0.283	10%	0.104	S	C	.	.	P	Polyproline II helix	trans	-73.2	121.8	-175.2	-163.7	68	0	0	0	112	L143 L144 F147 P290	L143-L257 CarbonylContact C-O 3.53Å; L143-L257 WeakPolarHBondContact CA-O 3.45Å; L144-L257 HydrophobicContact CD1-CD2 3.67Å; L144-L257 HydrophobicContact CD1-CG 4.02Å; L144-L257 PolarHBondContact N-O 3.35Å; F147-L257 HydrophobicContact CB-CB 3.63Å; F147-L257 HydrophobicContact CD2-CB 3.71Å; F147-L257 HydrophobicContact CD2-CD2 3.37Å; F147-L257 HydrophobicContact CD2-CG 4.18Å; F147-L257 HydrophobicContact CE2-CB 4.48Å; F147-L257 HydrophobicContact CE2-CD2 3.31Å; F147-L257 HydrophobicContact CG-CB 3.71Å; F147-L257 HydrophobicContact CG-CD2 4.06Å; F147-L257 HydrophobicContact CZ-CD2 3.96Å; L257-P290 HydrophobicContact CD1-CG 3.95Å
258	V	87.8	Confident	94.4	Very high	12 Å²	12	18.2 Å²	18.2	7%	0.073	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-91.2	151.5	178.6	172.6	0	0	0	0	111	L143 V254 G256 D262 F263 Q273	L143-V258 HydrophobicContact CD2-CG2 3.77Å; V254-V258 HydrophobicContact CG2-CG2 3.31Å; G256-V258 PolarHBondContact O-N 3.19Å; V258-D262 HydrophobicContact CG1-CB 3.31Å; V258-F263 HydrophobicContact CG1-CB 4.33Å; V258-Q273 VanDerWaalsContact CG1-OE1 3.25Å
259	S	89.5	Confident	94.4	Very high	22 Å²	22	17 Å²	17	15%	0.154	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-55.5	144.2	174.5	75.4	0	0	0	0	111.2	H142 K261 D262 F263	H142-S259 PolarHBondContact O-N 3.48Å; S259-K261 PolarHBondContact O-N 2.88Å; S259-K261 VanDerWaalsContact O-N 3.15Å; S259-D262 PolarHBondContact O-N 3.18Å; S259-D262 VanDerWaalsContact O-N 3.13Å; S259-D262 WeakPolarHBondContact OG-CB 3.39Å; S259-D262 PolarHBondContact OG-N 3.4Å; S259-F263 PolarHBondContact O-N 3.16Å
260	P	91.7	Very high	94.4	Very high	59 Å²	59	18.8 Å²	18.8	38%	0.383	10%	0.096	S	C	.	.	H	α-helix	trans	-56.5	-36	-178.9	-25.6	33	0	0	0	113.4	F263 L264 I327 S331	P260-F263 PolarHBondContact O-N 3.49Å; P260-L264 VanDerWaalsContact O-CB 3.31Å; P260-L264 WeakPolarHBondContact O-CB 3.47Å; P260-L264 VanDerWaalsContact O-CG 3.23Å; P260-L264 WeakPolarHBondContact O-CG 3.29Å; P260-L264 PolarHBondContact O-N 3.44Å; P260-I327 HydrophobicContact CB-CG2 4.27Å; P260-S331 VanDerWaalsContact CB-OG 3.24Å; P260-S331 WeakPolarHBondContact CB-OG 3.42Å
261	K	91.6	Very high	94.4	Very high	58 Å²	58	16.4 Å²	16.4	25%	0.252	9%	0.088	S	C	.	.	H	α-helix	trans	-59.4	-50.3	176.6	-168.5	172.2	-165.4	159.9	0	112.2	D128 S259 A265 E324 I327	D128-K261 IonicContact OD2-NZ 3.6Å; D128-K261 PolarHBondContact OD2-NZ 3.4Å; S259-K261 PolarHBondContact O-N 2.88Å; S259-K261 VanDerWaalsContact O-N 3.15Å; K261-A265 WeakPolarHBondContact O-CB 3.26Å; K261-A265 PolarHBondContact O-N 3.34Å; K261-E324 IonicContact NZ-OE1 3.84Å; K261-E324 PolarHBondContact NZ-OE1 3.24Å; K261-I327 HydrophobicContact CB-CG2 4.36Å; K261-I327 HydrophobicContact CG-CD1 4.3Å
262	D	92.4	Very high	94.4	Very high	11 Å²	11	16.3 Å²	16.3	6%	0.059	9%	0.087	C	C	.	.	H	α-helix	trans	-70.3	-38.1	180	-82.8	-5.2	0	0	0	112.7	C140 Q141 H142 V258 S259 S266	C140-D262 VanDerWaalsContact CA-CG 3.47Å; C140-D262 WeakPolarHBondContact CA-OD2 3.44Å; C140-D262 HydrophobicContact CB-CB 3.95Å; Q141-D262 PolarHBondContact N-OD2 2.91Å; H142-D262 VanDerWaalsContact CB-OD2 3.23Å; H142-D262 WeakPolarHBondContact CB-OD2 3.47Å; H142-D262 IonicContact CE1-OD2 2.65Å; H142-D262 IonicContact CG-OD2 3.9Å; H142-D262 VanDerWaalsContact CG-OD2 3.32Å; H142-D262 PolarHBondContact N-OD2 3.15Å; H142-D262 IonicContact ND1-OD1 3.48Å; H142-D262 IonicContact ND1-OD2 3.26Å; H142-D262 PolarHBondContact ND1-OD2 2.97Å; V258-D262 HydrophobicContact CG1-CB 3.31Å; S259-D262 PolarHBondContact O-N 3.18Å; S259-D262 VanDerWaalsContact O-N 3.13Å; S259-D262 WeakPolarHBondContact OG-CB 3.39Å; S259-D262 PolarHBondContact OG-N 3.4Å; D262-S266 PolarHBondContact O-N 3.29Å; D262-S266 VanDerWaalsContact O-N 3.09Å; D262-S266 PolarHBondContact O-OG 2.92Å
263	F	95.6	Very high	94.4	Very high	36 Å²	36	16.1 Å²	16.1	16%	0.158	9%	0.087	C	C	.	.	H	α-helix	trans	-65.2	-52.1	178.7	178.8	-98	0	0	0	110.8	V258 S259 P260 A265 S266 L267 F272 Q273 Y334	V258-F263 HydrophobicContact CG1-CB 4.33Å; S259-F263 PolarHBondContact O-N 3.16Å; P260-F263 PolarHBondContact O-N 3.49Å; F263-A265 VanDerWaalsContact C-N 3.33Å; F263-A265 PolarHBondContact O-N 3.09Å; F263-S266 WeakPolarHBondContact O-CB 3.46Å; F263-S266 PolarHBondContact O-N 3.36Å; F263-S266 VanDerWaalsContact O-N 3.1Å; F263-L267 HydrophobicContact CE1-CD1 4.05Å; F263-L267 HydrophobicContact CE1-CG 4.44Å; F263-L267 HydrophobicContact CZ-CD2 4.44Å; F263-L267 PolarHBondContact O-N 3.4Å; F263-F272 HydrophobicContact CE2-CE2 4.19Å; F263-F272 HydrophobicContact CZ-CD2 4.28Å; F263-F272 AromaticContact CZ-CE2 3.82Å; F263-F272 HydrophobicContact CZ-CE2 3.82Å; F263-F272 HydrophobicContact CZ-CZ 4.45Å; F263-Q273 HydrophobicContact CD2-CB 4.14Å; F263-Q273 HydrophobicContact CD2-CG 4.49Å; F263-Q273 HydrophobicContact CE2-CB 4.32Å; F263-Y334 HydrophobicContact CE1-CD1 4.4Å; F263-Y334 HydrophobicContact CE1-CD2 4.45Å; F263-Y334 AromaticContact CE1-CE1 3.73Å; F263-Y334 HydrophobicContact CE1-CE1 3.73Å; F263-Y334 AromaticContact CE1-CE2 3.81Å; F263-Y334 HydrophobicContact CE1-CE2 3.81Å; F263-Y334 AromaticContact CE1-CZ 3.43Å; F263-Y334 VanDerWaalsContact CE1-CZ 3.43Å; F263-Y334 HydrophobicContact CZ-CE1 4.29Å; F263-Y334 HydrophobicContact CZ-CE2 4.4Å; F263-Y334 AromaticContact CZ-CZ 3.8Å; F263-Y334 WeakPolarHBondContact CZ-OH 3.36Å
264	L	97.5	Very high	94.4	Very high	2 Å²	2	16 Å²	16	1%	0.01	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-41.5	176.5	-67.9	171.7	0	0	0	111.5	P260 S266 L267 A268 G316 S319 L330 Y334	P260-L264 VanDerWaalsContact O-CB 3.31Å; P260-L264 WeakPolarHBondContact O-CB 3.47Å; P260-L264 VanDerWaalsContact O-CG 3.23Å; P260-L264 WeakPolarHBondContact O-CG 3.29Å; P260-L264 PolarHBondContact O-N 3.44Å; L264-S266 PolarHBondContact O-N 3.1Å; L264-L267 HydrophobicContact CD2-CD1 4.11Å; L264-L267 WeakPolarHBondContact O-CB 3.36Å; L264-L267 PolarHBondContact O-N 2.98Å; L264-A268 PolarHBondContact O-N 3.3Å; L264-G316 WeakPolarHBondContact O-CA 3.4Å; L264-S319 WeakPolarHBondContact CB-OG 3.44Å; L264-L330 HydrophobicContact CD1-CB 4.04Å; L264-Y334 HydrophobicContact CD2-CD2 4.29Å; L264-Y334 HydrophobicContact CD2-CG 4.42Å
265	A	96.8	Very high	94.5	Very high	5 Å²	5	15.2 Å²	15.2	4%	0.041	8%	0.081	C	C	.	.	H	α-helix	trans	-58.5	-34.3	176.2	0	0	0	0	0	112.4	P131 K261 F263 A268 F269 S319 L320	P131-A265 HydrophobicContact CG-CB 3.94Å; K261-A265 WeakPolarHBondContact O-CB 3.26Å; K261-A265 PolarHBondContact O-N 3.34Å; F263-A265 VanDerWaalsContact C-N 3.33Å; F263-A265 PolarHBondContact O-N 3.09Å; A265-A268 VanDerWaalsContact O-CB 3.26Å; A265-A268 WeakPolarHBondContact O-CB 3.28Å; A265-A268 PolarHBondContact O-N 3.23Å; A265-F269 WeakPolarHBondContact O-CD2 3.45Å; A265-S319 PolarHBondContact N-OG 2.9Å; A265-L320 HydrophobicContact CB-CD2 3.86Å
266	S	98.1	Very high	94.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.3	-38.2	175.2	-58.2	0	0	0	0	112.2	D262 F263 L264 A268 F269 V271 Q273	D262-S266 PolarHBondContact O-N 3.29Å; D262-S266 VanDerWaalsContact O-N 3.09Å; D262-S266 PolarHBondContact O-OG 2.92Å; F263-S266 WeakPolarHBondContact O-CB 3.46Å; F263-S266 PolarHBondContact O-N 3.36Å; F263-S266 VanDerWaalsContact O-N 3.1Å; L264-S266 PolarHBondContact O-N 3.1Å; S266-A268 PolarHBondContact O-N 2.95Å; S266-F269 PolarHBondContact O-N 3.09Å; S266-F269 VanDerWaalsContact O-N 3.12Å; S266-V271 CarbonylContact C-O 3.54Å; S266-V271 VanDerWaalsContact CB-O 3.28Å; S266-V271 WeakPolarHBondContact CB-O 3.3Å; S266-V271 PolarHBondContact O-N 3.2Å; S266-Q273 PolarHBondContact OG-NE2 3.37Å
267	L	98.5	Very high	95.2	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-62.1	-30.6	177	-56.6	179.9	0	0	0	112.2	F249 F263 L264 F269 R270 V271 F272 S312 Q313 Y334	F249-L267 HydrophobicContact CE1-CD2 4.06Å; F263-L267 HydrophobicContact CE1-CD1 4.05Å; F263-L267 HydrophobicContact CE1-CG 4.44Å; F263-L267 HydrophobicContact CZ-CD2 4.44Å; F263-L267 PolarHBondContact O-N 3.4Å; L264-L267 HydrophobicContact CD2-CD1 4.11Å; L264-L267 WeakPolarHBondContact O-CB 3.36Å; L264-L267 PolarHBondContact O-N 2.98Å; L267-F269 PolarHBondContact O-N 3.15Å; L267-R270 WeakPolarHBondContact O-CA 3.35Å; L267-R270 PolarHBondContact O-N 2.88Å; L267-V271 PolarHBondContact N-O 3.39Å; L267-F272 HydrophobicContact CD2-CD2 4.22Å; L267-S312 WeakPolarHBondContact CB-O 3.41Å; L267-Q313 WeakPolarHBondContact O-CA 3.44Å; L267-Y334 HydrophobicContact CD1-CD2 3.88Å; L267-Y334 HydrophobicContact CD1-CE2 3.57Å
268	A	98.2	Very high	95.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.7	-32.1	176.9	0	0	0	0	0	112.6	L264 A265 S266 Q313 G316 L317 L320	L264-A268 PolarHBondContact O-N 3.3Å; A265-A268 VanDerWaalsContact O-CB 3.26Å; A265-A268 WeakPolarHBondContact O-CB 3.28Å; A265-A268 PolarHBondContact O-N 3.23Å; S266-A268 PolarHBondContact O-N 2.95Å; A268-Q313 PolarHBondContact O-NE2 2.82Å; A268-G316 VanDerWaalsContact CB-C 3.46Å; A268-L317 HydrophobicContact CB-CD2 4.08Å; A268-L317 HydrophobicContact CB-CG 4.27Å; A268-L320 HydrophobicContact CB-CD1 3.69Å; A268-L320 HydrophobicContact CB-CD2 4.22Å; A268-L320 HydrophobicContact CB-CG 4.04Å
269	F	98.4	Very high	96.1	Very high	3 Å²	3	12.7 Å²	12.7	1%	0.013	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	14.4	177.8	-65.5	-93	0	0	0	112.7	P131 H133 I134 L137 A265 S266 L267 V271 Y423 E428 V430	P131-F269 HydrophobicContact CB-CE2 3.8Å; P131-F269 HydrophobicContact CB-CZ 4.08Å; P131-F269 HydrophobicContact CG-CE2 3.73Å; P131-F269 HydrophobicContact CG-CZ 4.44Å; P131-F269 WeakPolarHBondContact O-CZ 3.49Å; H133-F269 VanDerWaalsContact C-CE1 3.46Å; I134-F269 HydrophobicContact CB-CB 4.43Å; I134-F269 HydrophobicContact CB-CD1 3.73Å; I134-F269 HydrophobicContact CB-CE1 4.42Å; I134-F269 HydrophobicContact CB-CG 4.33Å; I134-F269 HydrophobicContact CD1-CB 4.32Å; I134-F269 HydrophobicContact CG1-CB 4.1Å; I134-F269 HydrophobicContact CG1-CD1 4.32Å; I134-F269 HydrophobicContact CG1-CG 4.45Å; L137-F269 HydrophobicContact CD1-CB 4.07Å; L137-F269 HydrophobicContact CD1-CD2 4.46Å; L137-F269 HydrophobicContact CD1-CG 4.39Å; L137-F269 HydrophobicContact CD2-CD2 4.09Å; L137-F269 HydrophobicContact CG-CD2 4.44Å; A265-F269 WeakPolarHBondContact O-CD2 3.45Å; S266-F269 PolarHBondContact O-N 3.09Å; S266-F269 VanDerWaalsContact O-N 3.12Å; L267-F269 PolarHBondContact O-N 3.15Å; F269-V271 HydrophobicContact CB-CG2 4.23Å; F269-V271 PolarHBondContact O-N 3.46Å; F269-Y423 HydrophobicContact CB-CE2 4.46Å; F269-Y423 HydrophobicContact CD1-CD2 4.16Å; F269-Y423 AromaticContact CD1-CE2 3.78Å; F269-Y423 HydrophobicContact CD1-CE2 3.78Å; F269-Y423 HydrophobicContact CE1-CE2 4.44Å; F269-Y423 HydrophobicContact CG-CE2 4.44Å; F269-E428 WeakPolarHBondContact CE1-O 2.97Å; F269-V430 HydrophobicContact CD1-CG2 4.46Å; F269-V430 HydrophobicContact CE1-CB 4.46Å; F269-V430 HydrophobicContact CE1-CG2 3.76Å; F269-V430 HydrophobicContact CE2-CG2 3.95Å; F269-V430 HydrophobicContact CZ-CB 4.02Å; F269-V430 HydrophobicContact CZ-CG2 3.46Å; F269-V430 VanDerWaalsContact CZ-CG2 3.46Å
270	R	98.3	Very high	96.4	Very high	36 Å²	36	12.2 Å²	12.2	14%	0.136	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	40.4	-171.8	-58.4	-164.9	173.4	-120.2	-10.3	112.5	S247 F249 R250 L267 D310 Q313	S247-R270 PolarHBondContact O-NH1 2.65Å; F249-R270 CarbonylContact C-O 3.48Å; F249-R270 WeakPolarHBondContact CA-O 3.45Å; F249-R270 HydrophobicContact CB-CB 4.49Å; F249-R270 HydrophobicContact CD1-CB 4.27Å; F249-R270 WeakPolarHBondContact CD1-O 3.31Å; F249-R270 HydrophobicContact CD2-CB 3.56Å; F249-R270 HydrophobicContact CD2-CG 3.82Å; F249-R270 HydrophobicContact CE1-CB 4.4Å; F249-R270 HydrophobicContact CE2-CB 3.68Å; F249-R270 HydrophobicContact CE2-CG 3.6Å; F249-R270 HydrophobicContact CG-CB 3.87Å; F249-R270 HydrophobicContact CZ-CB 4.12Å; F249-R270 HydrophobicContact CZ-CG 4.24Å; R250-R270 PolarHBondContact N-O 2.88Å; L267-R270 WeakPolarHBondContact O-CA 3.35Å; L267-R270 PolarHBondContact O-N 2.88Å; R270-D310 IonicContact CZ-OD1 3.56Å; R270-D310 IonicContact NH1-OD1 3.66Å; R270-D310 PolarHBondContact NH1-OD1 3.28Å; R270-D310 IonicContact NH2-OD1 3.42Å; R270-D310 PolarHBondContact NH2-OD1 3.33Å; R270-Q313 HydrophobicContact CG-CB 4.28Å; R270-Q313 HydrophobicContact CG-CG 4.11Å
271	V	98.5	Very high	96.6	Very high	7 Å²	7	12.8 Å²	12.8	4%	0.042	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120	175.8	178	0	0	0	0	109.2	I134 L137 R250 R252 S266 L267 F269	I134-V271 HydrophobicContact CD1-CG2 3.77Å; I134-V271 HydrophobicContact CG1-CG2 4.13Å; L137-V271 HydrophobicContact CD1-CB 3.72Å; L137-V271 HydrophobicContact CD1-CG1 4.05Å; L137-V271 HydrophobicContact CD1-CG2 3.67Å; R250-V271 WeakPolarHBondContact O-CA 3.48Å; R252-V271 HydrophobicContact CB-CG1 3.52Å; S266-V271 CarbonylContact C-O 3.54Å; S266-V271 VanDerWaalsContact CB-O 3.28Å; S266-V271 WeakPolarHBondContact CB-O 3.3Å; S266-V271 PolarHBondContact O-N 3.2Å; L267-V271 PolarHBondContact N-O 3.39Å; F269-V271 HydrophobicContact CB-CG2 4.23Å; F269-V271 PolarHBondContact O-N 3.46Å
272	F	98.3	Very high	96.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.3	172.9	-171.7	-92.1	0	0	0	110.1	F249 R250 I251 R252 F263 L267 C274 E295 H299 M300 L303	F249-F272 HydrophobicContact CD1-CB 4.31Å; R250-F272 PolarHBondContact O-N 3.47Å; I251-F272 CarbonylContact C-O 3.4Å; I251-F272 WeakPolarHBondContact CA-O 3.46Å; R252-F272 PolarHBondContact N-O 3.03Å; F263-F272 HydrophobicContact CE2-CE2 4.19Å; F263-F272 HydrophobicContact CZ-CD2 4.28Å; F263-F272 AromaticContact CZ-CE2 3.82Å; F263-F272 HydrophobicContact CZ-CE2 3.82Å; F263-F272 HydrophobicContact CZ-CZ 4.45Å; L267-F272 HydrophobicContact CD2-CD2 4.22Å; F272-C274 HydrophobicContact CD1-CB 4.09Å; F272-C274 HydrophobicContact CE1-CB 4.3Å; F272-E295 HydrophobicContact CE1-CB 4.37Å; F272-E295 WeakPolarHBondContact CE1-OE2 3.47Å; F272-E295 WeakPolarHBondContact CZ-OE2 3.48Å; F272-H299 HydrophobicContact CE1-CB 4.27Å; F272-H299 HydrophobicContact CE2-CB 4.11Å; F272-H299 AromaticContact CE2-CG 3.76Å; F272-H299 AromaticContact CE2-ND1 3.78Å; F272-H299 HydrophobicContact CZ-CB 3.77Å; F272-H299 AromaticContact CZ-CD2 3.5Å; F272-H299 AromaticContact CZ-CG 3.44Å; F272-H299 VanDerWaalsContact CZ-CG 3.44Å; F272-H299 AromaticContact CZ-ND1 3.92Å; F272-H299 AromaticContact CZ-NE2 3.98Å; F272-M300 HydrophobicContact CD1-CE 3.48Å; F272-M300 VanDerWaalsContact CD1-CE 3.48Å; F272-M300 HydrophobicContact CE1-CE 3.57Å; F272-M300 HydrophobicContact CG-CE 4.19Å; F272-M300 HydrophobicContact CZ-CE 4.34Å; F272-L303 HydrophobicContact CB-CD1 4.02Å; F272-L303 HydrophobicContact CD1-CD1 4.38Å; F272-L303 HydrophobicContact CD2-CD1 3.47Å; F272-L303 VanDerWaalsContact CD2-CD1 3.47Å; F272-L303 HydrophobicContact CE2-CD1 3.98Å; F272-L303 HydrophobicContact CG-CD1 3.69Å
273	Q	96.7	Very high	96.7	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.023	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.2	177.3	-63.2	-173.4	-15.2	0	0	109.4	C140 R252 V254 V258 F263 S266	C140-Q273 PolarHBondContact O-NE2 3.27Å; C140-Q273 VanDerWaalsContact O-NE2 3.1Å; R252-Q273 CarbonylContact O-C 3.09Å; R252-Q273 WeakPolarHBondContact O-CA 3.37Å; V254-Q273 HydrophobicContact CB-CB 4.16Å; V254-Q273 HydrophobicContact CG1-CB 4.19Å; V258-Q273 VanDerWaalsContact CG1-OE1 3.25Å; F263-Q273 HydrophobicContact CD2-CB 4.14Å; F263-Q273 HydrophobicContact CD2-CG 4.49Å; F263-Q273 HydrophobicContact CE2-CB 4.32Å; S266-Q273 PolarHBondContact OG-NE2 3.37Å
274	C	97.3	Very high	96.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.6	-168.1	-173.1	0	0	0	0	111.1	L236 I251 R252 P253 V254 F272 E295	L236-C274 HydrophobicContact CD1-CB 4.08Å; L236-C274 HydrophobicContact CD2-CB 4.43Å; L236-C274 VanDerWaalsContact CD2-SG 3.5Å; I251-C274 HydrophobicContact CG2-CB 3.38Å; R252-C274 PolarHBondContact O-N 2.79Å; P253-C274 WeakPolarHBondContact CA-O 3.46Å; V254-C274 PolarHBondContact N-O 3.3Å; F272-C274 HydrophobicContact CD1-CB 4.09Å; F272-C274 HydrophobicContact CE1-CB 4.3Å; C274-E295 WeakPolarHBondContact SG-CB 3.41Å
275	T	95.9	Very high	96.1	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	150.2	171.8	59	0	0	0	0	110.9	V254 Y277 P290 D291 C292 E295	V254-T275 HydrophobicContact CG1-CG2 3.67Å; T275-Y277 HydrophobicContact CG2-CE1 3.68Å; T275-P290 PolarHBondContact OG1-O 3.25Å; T275-D291 WeakPolarHBondContact OG1-CA 3.49Å; T275-C292 PolarHBondContact OG1-N 3.45Å; T275-E295 WeakPolarHBondContact OG1-CG 3.2Å; T275-E295 PolarHBondContact OG1-OE1 2.83Å
276	Q	96.9	Very high	95.5	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.009	12%	0.124	C	C	.	.			trans	-111	-16.9	-179.7	-73.2	-178.3	-93.9	0	0	113.5	I170 P184 V186 Y188 L236 P253	I170-Q276 HydrophobicContact CG2-CB 3.5Å; I170-Q276 VanDerWaalsContact CG2-CB 3.5Å; P184-Q276 PolarHBondContact O-NE2 3.28Å; V186-Q276 HydrophobicContact CG2-CB 4.42Å; V186-Q276 VanDerWaalsContact CG2-NE2 3.25Å; Y188-Q276 WeakPolarHBondContact CE1-O 3.49Å; Y188-Q276 PolarHBondContact OH-O 2.88Å; L236-Q276 HydrophobicContact CD1-CG 3.22Å; L236-Q276 HydrophobicContact CG-CG 3.78Å; P253-Q276 VanDerWaalsContact CB-OE1 3.31Å
277	Y	95.7	Very high	94.8	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.016	13%	0.133	C	C	.	.			trans	-77.2	154.1	178.1	58.4	-101.3	0	0	0	110.7	R167 T275 E289 P290 D291 C292	R167-Y277 VanDerWaalsContact CD-CG 3.41Å; R167-Y277 VanDerWaalsContact CZ-CD2 3.43Å; R167-Y277 VanDerWaalsContact CZ-CE2 3.47Å; R167-Y277 VanDerWaalsContact NE-CD1 3.27Å; T275-Y277 HydrophobicContact CG2-CE1 3.68Å; Y277-E289 HydrophobicContact CE2-CG 4.23Å; Y277-P290 WeakPolarHBondContact CE2-O 3.34Å; Y277-P290 PolarHBondContact OH-O 3.09Å; Y277-D291 HydrophobicContact CD2-CB 3.99Å; Y277-D291 HydrophobicContact CE2-CB 3.88Å; Y277-D291 WeakPolarHBondContact O-CB 2.97Å; Y277-C292 WeakPolarHBondContact O-CB 3.31Å; Y277-C292 PolarHBondContact O-N 3.45Å; Y277-C292 PolarHBondContact O-SG 3.23Å
278	I	96.6	Very high	94	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	15%	0.149	C	C	.	.			trans	-106.1	149.6	175.6	-168.1	162	0	0	0	110.3	Y163 E192 T195 W196 I233 I293	Y163-I278 WeakPolarHBondContact CE2-O 3.23Å; Y163-I278 PolarHBondContact OH-O 3.01Å; E192-I278 HydrophobicContact CB-CG2 3.82Å; E192-I278 HydrophobicContact CG-CG2 3.56Å; E192-I278 WeakPolarHBondContact O-CD1 3.41Å; T195-I278 HydrophobicContact CG2-CD1 3.89Å; T195-I278 HydrophobicContact CG2-CG1 4.1Å; W196-I278 HydrophobicContact CB-CD1 3.87Å; I233-I278 HydrophobicContact CD1-CD1 3.94Å; I278-I293 HydrophobicContact CD1-CD1 3.8Å; I278-I293 HydrophobicContact CD1-CG1 4.13Å; I278-I293 HydrophobicContact CG1-CD1 3.87Å; I278-I293 HydrophobicContact CG1-CG1 4.19Å
279	R	95.4	Very high	93.4	Very high	9 Å²	9	30.3 Å²	30.3	3%	0.034	15%	0.152	C	C	.	.			trans	-53.9	158	170.4	65.5	-167.6	63.1	-179.7	-4.1	112.2	T195 H281 P284 D291 I293	T195-R279 HydrophobicContact CG2-CG 4.21Å; R279-H281 PolarHBondContact O-N 2.92Å; R279-P284 WeakPolarHBondContact CD-O 3.5Å; R279-P284 PolarHBondContact NH1-O 3.3Å; R279-D291 HydrophobicContact CB-CB 4.4Å; R279-D291 VanDerWaalsContact CB-OD2 3.29Å; R279-D291 WeakPolarHBondContact CB-OD2 3.03Å; R279-D291 VanDerWaalsContact CG-OD2 3.31Å; R279-D291 WeakPolarHBondContact CG-OD2 3.23Å; R279-D291 IonicContact CZ-OD1 3.79Å; R279-D291 IonicContact CZ-OD2 3.43Å; R279-D291 PolarHBondContact N-OD2 2.88Å; R279-D291 VanDerWaalsContact NE-CG 3.34Å; R279-D291 IonicContact NE-OD1 2.64Å; R279-D291 PolarHBondContact NE-OD1 3.39Å; R279-D291 IonicContact NE-OD2 2.76Å; R279-D291 PolarHBondContact NE-OD2 3.49Å; R279-D291 IonicContact NH2-OD1 3.4Å; R279-D291 PolarHBondContact NH2-OD1 3.38Å; R279-D291 IonicContact NH2-OD2 3.39Å; R279-I293 HydrophobicContact CG-CD1 4.2Å
280	H	95.6	Very high	93.1	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.056	16%	0.159	C	C	.	.			trans	-66.1	132.4	-176.2	-166.8	-88.7	0	0	0	112.9	P156 D160 Y163 S282 R283	P156-H280 HydrophobicContact CB-CB 3.86Å; D160-H280 IonicContact OD2-NE2 3.26Å; D160-H280 PolarHBondContact OD2-NE2 3.23Å; Y163-H280 AromaticContact CD2-CD2 3.73Å; Y163-H280 HydrophobicContact CE2-CB 4.23Å; Y163-H280 AromaticContact CG-CD2 3.73Å; H280-S282 PolarHBondContact CE1-OG 3.12Å; H280-S282 WeakPolarHBondContact ND1-CB 3.46Å; H280-S282 PolarHBondContact ND1-N 3.43Å; H280-S282 PolarHBondContact ND1-OG 3.07Å; H280-S282 PolarHBondContact O-N 3.24Å; H280-S282 VanDerWaalsContact O-N 3.09Å; H280-R283 CarbonylContact O-C 3.51Å; H280-R283 PolarHBondContact O-N 2.95Å
281	H	95.5	Very high	93	Very high	72 Å²	72	29.7 Å²	29.7	33%	0.333	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.4	-175.4	73.2	101.7	0	0	0	114.7	E191 T195 R279 R283 P284	E191-H281 HydrophobicContact CG-CB 3.57Å; E191-H281 IonicContact OE1-CD2 3.31Å; E191-H281 IonicContact OE1-CE1 3.71Å; E191-H281 PolarHBondContact OE1-CE1 2.82Å; E191-H281 VanDerWaalsContact OE1-CE1 3.31Å; E191-H281 IonicContact OE1-CG 3.52Å; E191-H281 IonicContact OE1-ND1 3.41Å; E191-H281 PolarHBondContact OE1-ND1 2.9Å; E191-H281 VanDerWaalsContact OE1-ND1 3.15Å; E191-H281 IonicContact OE1-NE2 3.15Å; E191-H281 IonicContact OE2-CD2 2.88Å; E191-H281 PolarHBondContact OE2-CD2 3.35Å; E191-H281 VanDerWaalsContact OE2-CD2 3.31Å; E191-H281 IonicContact OE2-CG 2.71Å; E191-H281 IonicContact OE2-NE2 3.85Å; T195-H281 WeakPolarHBondContact OG1-CB 3.4Å; R279-H281 PolarHBondContact O-N 2.92Å; H281-R283 VanDerWaalsContact C-N 3.27Å; H281-R283 PolarHBondContact O-N 2.88Å; H281-P284 WeakPolarHBondContact O-CD 3.4Å
282	S	94.6	Very high	92.9	Very high	72 Å²	72	29.4 Å²	29.4	50%	0.503	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.9	175.5	75.2	0	0	0	0	114.2	H280	H280-S282 PolarHBondContact CE1-OG 3.12Å; H280-S282 WeakPolarHBondContact ND1-CB 3.46Å; H280-S282 PolarHBondContact ND1-N 3.43Å; H280-S282 PolarHBondContact ND1-OG 3.07Å; H280-S282 PolarHBondContact O-N 3.24Å; H280-S282 VanDerWaalsContact O-N 3.09Å
283	R	92.4	Very high	92.9	Very high	130 Å²	130	29.4 Å²	29.4	49%	0.491	15%	0.151	S	C	.	.			trans	-135.8	62.7	177.4	-63.8	-161.4	-174.7	174.8	-0.9	110.9	P156 H280 H281 M285 H286	P156-R283 HydrophobicContact CB-CG 4.41Å; P156-R283 HydrophobicContact CG-CB 4.32Å; P156-R283 HydrophobicContact CG-CG 4.08Å; H280-R283 CarbonylContact O-C 3.51Å; H280-R283 PolarHBondContact O-N 2.95Å; H281-R283 VanDerWaalsContact C-N 3.27Å; H281-R283 PolarHBondContact O-N 2.88Å; R283-M285 PolarHBondContact O-N 3.07Å; R283-M285 VanDerWaalsContact O-N 3.08Å; R283-H286 PolarHBondContact O-N 3.22Å
284	P	91.7	Very high	92.9	Very high	25 Å²	25	30.2 Å²	30.2	16%	0.162	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.9	-173.3	26.8	-34.1	0	0	0	112.7	T195 L198 V199 R279 H281	T195-P284 HydrophobicContact CG2-CB 4.05Å; L198-P284 HydrophobicContact CD2-CB 3.85Å; L198-P284 HydrophobicContact CD2-CG 3.53Å; V199-P284 HydrophobicContact CG2-CB 4.2Å; V199-P284 WeakPolarHBondContact CG2-O 3.21Å; R279-P284 WeakPolarHBondContact CD-O 3.5Å; R279-P284 PolarHBondContact NH1-O 3.3Å; H281-P284 WeakPolarHBondContact O-CD 3.4Å
285	M	89.6	Confident	92.9	Very high	61 Å²	61	30.7 Å²	30.7	30%	0.3	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	3.3	-178.6	-55.8	-56.8	-60.4	0	0	114.1	V199 K202 R283 Y360	V199-M285 HydrophobicContact CG2-SD 4.16Å; K202-M285 HydrophobicContact CD-CE 3.46Å; K202-M285 VanDerWaalsContact CD-CE 3.46Å; K202-M285 HydrophobicContact CD-SD 4.09Å; K202-M285 HydrophobicContact CG-CE 4.07Å; R283-M285 PolarHBondContact O-N 3.07Å; R283-M285 VanDerWaalsContact O-N 3.08Å; M285-Y360 HydrophobicContact CE-CG 4.28Å
286	H	82.6	Confident	93	Very high	96 Å²	96	30.7 Å²	30.7	44%	0.444	16%	0.157	S	C	.	.			trans	-144.1	137.7	-176	172.9	76.3	0	0	0	111.7	R283	R283-H286 PolarHBondContact O-N 3.22Å
287	T	83.6	Confident	93.1	Very high	32 Å²	32	30.6 Å²	30.6	20%	0.196	16%	0.157	C	C	.	.			trans	-141	136.7	171.1	-173.8	0	0	0	0	109.6	E289	T287-E289 VanDerWaalsContact C-N 3.27Å; T287-E289 WeakPolarHBondContact CB-O 3.37Å; T287-E289 WeakPolarHBondContact CG2-O 3.48Å; T287-E289 PolarHBondContact OG1-N 3Å; T287-E289 PolarHBondContact OG1-O 3.38Å
288	P	82.4	Confident	93.2	Very high	52 Å²	52	30.4 Å²	30.4	34%	0.338	16%	0.156	S	C	.	.	S	Bend	trans	-81	-7.5	174.2	34.1	-36.5	0	0	0	113	H155	H155-P288 VanDerWaalsContact CD2-CG 3.44Å; H155-P288 WeakPolarHBondContact CD2-CG 3.41Å
289	E	86.2	Confident	93.2	Very high	12 Å²	12	30.3 Å²	30.3	6%	0.056	16%	0.155	C	C	.	.	S	Bend	trans	-142.1	155.7	-177.6	67.1	-174.6	162.8	0	0	110.5	F147 H155 R167 Y277 T287 D291	F147-E289 HydrophobicContact CD1-CB 3.78Å; F147-E289 HydrophobicContact CE1-CB 3.98Å; H155-E289 IonicContact CD2-OE1 3.78Å; H155-E289 IonicContact NE2-OE1 3.73Å; R167-E289 IonicContact CZ-OE1 2.67Å; R167-E289 IonicContact NH1-OE1 3.18Å; R167-E289 PolarHBondContact NH1-OE1 3.16Å; R167-E289 IonicContact NH2-OE1 3.22Å; R167-E289 PolarHBondContact NH2-OE1 3.47Å; R167-E289 IonicContact NH2-OE2 2.69Å; R167-E289 PolarHBondContact NH2-OE2 2.81Å; Y277-E289 HydrophobicContact CE2-CG 4.23Å; T287-E289 VanDerWaalsContact C-N 3.27Å; T287-E289 WeakPolarHBondContact CB-O 3.37Å; T287-E289 WeakPolarHBondContact CG2-O 3.48Å; T287-E289 PolarHBondContact OG1-N 3Å; T287-E289 PolarHBondContact OG1-O 3.38Å; E289-D291 PolarHBondContact O-N 3.23Å
290	P	91.5	Very high	93.4	Very high	27 Å²	27	29.9 Å²	29.9	18%	0.175	15%	0.154	C	C	.	.			trans	-66.5	120.9	178	28.2	-34.6	0	0	0	109.8	L257 T275 Y277 H294	L257-P290 HydrophobicContact CD1-CG 3.95Å; T275-P290 PolarHBondContact OG1-O 3.25Å; Y277-P290 WeakPolarHBondContact CE2-O 3.34Å; Y277-P290 PolarHBondContact OH-O 3.09Å; P290-H294 HydrophobicContact CB-CB 4.32Å; P290-H294 VanDerWaalsContact CB-CD2 3.43Å; P290-H294 WeakPolarHBondContact CB-CD2 3.43Å
291	D	95.2	Very high	93.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.151	C	C	.	.			trans	-111.2	176.6	174.7	76.1	-40.3	0	0	0	110.1	T275 Y277 R279 E289 I293 H294 E295	T275-D291 WeakPolarHBondContact OG1-CA 3.49Å; Y277-D291 HydrophobicContact CD2-CB 3.99Å; Y277-D291 HydrophobicContact CE2-CB 3.88Å; Y277-D291 WeakPolarHBondContact O-CB 2.97Å; R279-D291 HydrophobicContact CB-CB 4.4Å; R279-D291 VanDerWaalsContact CB-OD2 3.29Å; R279-D291 WeakPolarHBondContact CB-OD2 3.03Å; R279-D291 VanDerWaalsContact CG-OD2 3.31Å; R279-D291 WeakPolarHBondContact CG-OD2 3.23Å; R279-D291 IonicContact CZ-OD1 3.79Å; R279-D291 IonicContact CZ-OD2 3.43Å; R279-D291 PolarHBondContact N-OD2 2.88Å; R279-D291 VanDerWaalsContact NE-CG 3.34Å; R279-D291 IonicContact NE-OD1 2.64Å; R279-D291 PolarHBondContact NE-OD1 3.39Å; R279-D291 IonicContact NE-OD2 2.76Å; R279-D291 PolarHBondContact NE-OD2 3.49Å; R279-D291 IonicContact NH2-OD1 3.4Å; R279-D291 PolarHBondContact NH2-OD1 3.38Å; R279-D291 IonicContact NH2-OD2 3.39Å; E289-D291 PolarHBondContact O-N 3.23Å; D291-I293 PolarHBondContact O-N 2.76Å; D291-H294 WeakPolarHBondContact O-CA 3.34Å; D291-H294 VanDerWaalsContact O-CB 3.31Å; D291-H294 WeakPolarHBondContact O-CB 3.46Å; D291-H294 PolarHBondContact O-N 3.32Å; D291-H294 PolarHBondContact OD1-N 3.02Å; D291-H294 VanDerWaalsContact OD1-N 3.17Å; D291-E295 WeakPolarHBondContact O-CG 3.44Å; D291-E295 PolarHBondContact O-N 3.21Å
292	C	97	Very high	93.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-25.5	-177.8	71.6	0	0	0	0	113.1	T275 Y277 L296	T275-C292 PolarHBondContact OG1-N 3.45Å; Y277-C292 WeakPolarHBondContact O-CB 3.31Å; Y277-C292 PolarHBondContact O-N 3.45Å; Y277-C292 PolarHBondContact O-SG 3.23Å; C292-L296 HydrophobicContact CB-CD1 4.38Å; C292-L296 WeakPolarHBondContact O-CB 3.37Å; C292-L296 WeakPolarHBondContact O-CG 3.34Å; C292-L296 PolarHBondContact O-N 2.85Å
293	I	97.7	Very high	93.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-48.1	170.6	-71.9	172	0	0	0	110.3	W196 V199 I278 R279 D291 E295 I297	W196-I293 HydrophobicContact CE3-CG1 3.75Å; W196-I293 HydrophobicContact CZ3-CG1 4.22Å; V199-I293 HydrophobicContact CB-CD1 3.96Å; V199-I293 HydrophobicContact CB-CG2 4.42Å; V199-I293 HydrophobicContact CG1-CD1 4.32Å; V199-I293 HydrophobicContact CG1-CG2 3.69Å; V199-I293 HydrophobicContact CG2-CD1 3.88Å; I278-I293 HydrophobicContact CD1-CD1 3.8Å; I278-I293 HydrophobicContact CD1-CG1 4.13Å; I278-I293 HydrophobicContact CG1-CD1 3.87Å; I278-I293 HydrophobicContact CG1-CG1 4.19Å; R279-I293 HydrophobicContact CG-CD1 4.2Å; D291-I293 PolarHBondContact O-N 2.76Å; I293-E295 VanDerWaalsContact C-N 3.32Å; I293-E295 PolarHBondContact O-N 2.93Å; I293-I297 HydrophobicContact CG2-CD1 4.09Å; I293-I297 WeakPolarHBondContact O-CB 3.34Å; I293-I297 PolarHBondContact O-N 3.42Å
294	H	96.7	Very high	94.1	Very high	23 Å²	23	16.8 Å²	16.8	11%	0.106	9%	0.091	C	C	.	.	I	π-helix	trans	-56.2	-48.2	175.9	175.3	82.8	0	0	0	111.5	P290 D291 G298 H299 E339 S358	P290-H294 HydrophobicContact CB-CB 4.32Å; P290-H294 VanDerWaalsContact CB-CD2 3.43Å; P290-H294 WeakPolarHBondContact CB-CD2 3.43Å; D291-H294 WeakPolarHBondContact O-CA 3.34Å; D291-H294 VanDerWaalsContact O-CB 3.31Å; D291-H294 WeakPolarHBondContact O-CB 3.46Å; D291-H294 PolarHBondContact O-N 3.32Å; D291-H294 PolarHBondContact OD1-N 3.02Å; D291-H294 VanDerWaalsContact OD1-N 3.17Å; H294-G298 WeakPolarHBondContact O-CA 3.23Å; H294-G298 PolarHBondContact O-N 3.48Å; H294-H299 AromaticContact CD2-CD2 3.84Å; H294-H299 AromaticContact CD2-NE2 3.88Å; H294-H299 AromaticContact CE1-NE2 3.86Å; H294-H299 AromaticContact NE2-CD2 3.55Å; H294-H299 AromaticContact NE2-NE2 3.12Å; H294-H299 PolarHBondContact NE2-NE2 3.38Å; H294-H299 VanDerWaalsContact NE2-NE2 3.12Å; H294-E339 IonicContact CE1-OE2 3.51Å; H294-E339 PolarHBondContact CE1-OE2 3.43Å; H294-E339 VanDerWaalsContact CE1-OE2 3.23Å; H294-E339 IonicContact NE2-OE2 2.65Å; H294-E339 PolarHBondContact NE2-OE2 3.13Å; H294-S358 PolarHBondContact ND1-OG 3.46Å
295	E	97.7	Very high	94.4	Very high	10 Å²	10	17.4 Å²	17.4	5%	0.047	9%	0.093	C	C	.	.	I	π-helix	trans	-68	-50.9	-178	-48.4	-59.5	-179.4	0	0	112.4	F272 C274 T275 D291 I293 H299 M300	F272-E295 HydrophobicContact CE1-CB 4.37Å; F272-E295 WeakPolarHBondContact CE1-OE2 3.47Å; F272-E295 WeakPolarHBondContact CZ-OE2 3.48Å; C274-E295 WeakPolarHBondContact SG-CB 3.41Å; T275-E295 WeakPolarHBondContact OG1-CG 3.2Å; T275-E295 PolarHBondContact OG1-OE1 2.83Å; D291-E295 WeakPolarHBondContact O-CG 3.44Å; D291-E295 PolarHBondContact O-N 3.21Å; I293-E295 VanDerWaalsContact C-N 3.32Å; I293-E295 PolarHBondContact O-N 2.93Å; E295-H299 WeakPolarHBondContact O-CB 3.48Å; E295-H299 PolarHBondContact O-N 3Å; E295-H299 IonicContact OE2-CD2 3.52Å; E295-H299 PolarHBondContact OE2-CD2 2.92Å; E295-M300 WeakPolarHBondContact O-CE 3.45Å; E295-M300 WeakPolarHBondContact O-CG 3.49Å; E295-M300 PolarHBondContact O-N 2.88Å
296	L	98.5	Very high	94.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-75.4	-44.9	-170.4	-61.2	-175.2	0	0	0	112.2	W196 Y228 I233 P234 L236 I239 C292 M300	W196-L296 HydrophobicContact CH2-CB 3.99Å; W196-L296 HydrophobicContact CH2-CD1 4.28Å; W196-L296 HydrophobicContact CZ3-CB 4.01Å; W196-L296 HydrophobicContact CZ3-CD1 4.12Å; Y228-L296 WeakPolarHBondContact CE1-O 3.45Å; Y228-L296 WeakPolarHBondContact OH-CB 3.29Å; Y228-L296 PolarHBondContact OH-O 2.85Å; I233-L296 HydrophobicContact CG2-CD1 4.25Å; P234-L296 HydrophobicContact CB-CD1 4.3Å; L236-L296 HydrophobicContact CD2-CD2 3.76Å; I239-L296 HydrophobicContact CD1-CD1 4.46Å; I239-L296 HydrophobicContact CD1-CD2 3.43Å; I239-L296 VanDerWaalsContact CD1-CD2 3.43Å; I239-L296 HydrophobicContact CD1-CG 4.5Å; C292-L296 HydrophobicContact CB-CD1 4.38Å; C292-L296 WeakPolarHBondContact O-CB 3.37Å; C292-L296 WeakPolarHBondContact O-CG 3.34Å; C292-L296 PolarHBondContact O-N 2.85Å; L296-M300 HydrophobicContact CD2-CG 3.96Å; L296-M300 WeakPolarHBondContact O-CB 3.46Å
297	I	97.9	Very high	95.4	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	10%	0.104	C	C	.	.	I	π-helix	trans	-83.8	-36.2	179.1	-68.9	163.9	0	0	0	110.7	W196 F200 M203 Y215 F219 I293	W196-I297 HydrophobicContact CE3-CD1 4.33Å; W196-I297 HydrophobicContact CH2-CD1 3.84Å; W196-I297 HydrophobicContact CH2-CG1 3.77Å; W196-I297 HydrophobicContact CZ2-CD1 4.41Å; W196-I297 HydrophobicContact CZ3-CD1 3.8Å; W196-I297 HydrophobicContact CZ3-CG1 4.02Å; F200-I297 HydrophobicContact CB-CD1 4.29Å; F200-I297 HydrophobicContact CD2-CD1 4.16Å; F200-I297 HydrophobicContact CD2-CG1 4.48Å; M203-I297 HydrophobicContact CB-CG2 4.42Å; Y215-I297 WeakPolarHBondContact CE2-O 3.38Å; Y215-I297 PolarHBondContact OH-O 2.96Å; F219-I297 HydrophobicContact CE2-CG2 4.4Å; I293-I297 HydrophobicContact CG2-CD1 4.09Å; I293-I297 WeakPolarHBondContact O-CB 3.34Å; I293-I297 PolarHBondContact O-N 3.42Å
298	G	97.8	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	I	π-helix	trans	-75.9	-59.4	-177.9	0	0	0	0	0	112.9	H294 A354	H294-G298 WeakPolarHBondContact O-CA 3.23Å; H294-G298 PolarHBondContact O-N 3.48Å; G298-A354 VanDerWaalsContact C-CB 3.44Å
299	H	98.5	Very high	96.9	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.014	8%	0.079	C	C	.	.	I	π-helix	trans	-89.7	-45.1	-166.1	-75.8	-74.5	0	0	0	114.3	F272 H294 E295 P301 M302 L303 Y334 E339 A354	F272-H299 HydrophobicContact CE1-CB 4.27Å; F272-H299 HydrophobicContact CE2-CB 4.11Å; F272-H299 AromaticContact CE2-CG 3.76Å; F272-H299 AromaticContact CE2-ND1 3.78Å; F272-H299 HydrophobicContact CZ-CB 3.77Å; F272-H299 AromaticContact CZ-CD2 3.5Å; F272-H299 AromaticContact CZ-CG 3.44Å; F272-H299 VanDerWaalsContact CZ-CG 3.44Å; F272-H299 AromaticContact CZ-ND1 3.92Å; F272-H299 AromaticContact CZ-NE2 3.98Å; H294-H299 AromaticContact CD2-CD2 3.84Å; H294-H299 AromaticContact CD2-NE2 3.88Å; H294-H299 AromaticContact CE1-NE2 3.86Å; H294-H299 AromaticContact NE2-CD2 3.55Å; H294-H299 AromaticContact NE2-NE2 3.12Å; H294-H299 PolarHBondContact NE2-NE2 3.38Å; H294-H299 VanDerWaalsContact NE2-NE2 3.12Å; E295-H299 WeakPolarHBondContact O-CB 3.48Å; E295-H299 PolarHBondContact O-N 3Å; E295-H299 IonicContact OE2-CD2 3.52Å; E295-H299 PolarHBondContact OE2-CD2 2.92Å; H299-P301 VanDerWaalsContact C-CD 3.47Å; H299-M302 PolarHBondContact O-N 2.88Å; H299-M302 VanDerWaalsContact O-N 3.13Å; H299-L303 HydrophobicContact CB-CD1 4.05Å; H299-L303 PolarHBondContact O-N 2.93Å; H299-Y334 PolarHBondContact CE1-OH 3.04Å; H299-Y334 VanDerWaalsContact CE1-OH 3.32Å; H299-E339 IonicContact CE1-OE1 3.18Å; H299-E339 PolarHBondContact CE1-OE1 3.13Å; H299-E339 IonicContact CE1-OE2 2.73Å; H299-E339 IonicContact NE2-OE1 3.86Å; H299-E339 PolarHBondContact NE2-OE1 3.15Å; H299-E339 IonicContact NE2-OE2 2.78Å; H299-A354 HydrophobicContact CB-CB 4.4Å; H299-A354 WeakPolarHBondContact CE1-CB 3.41Å; H299-A354 WeakPolarHBondContact ND1-CB 3.31Å; H299-A354 VanDerWaalsContact NE2-CB 3.31Å; H299-A354 WeakPolarHBondContact NE2-CB 3.12Å
300	M	98.6	Very high	97.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58	-40.5	-169.5	-55.2	-59.8	113.5	0	0	114.2	L222 Y228 I239 M243 I251 F272 E295 L296 M302 L303 V304	L222-M300 HydrophobicContact CD1-CB 3.74Å; Y228-M300 WeakPolarHBondContact OH-CB 3.22Å; Y228-M300 WeakPolarHBondContact OH-CG 3.39Å; I239-M300 HydrophobicContact CG2-CG 4.21Å; I239-M300 HydrophobicContact CG2-SD 4.07Å; M243-M300 HydrophobicContact CE-SD 4.05Å; M243-M300 HydrophobicContact SD-SD 3.37Å; I251-M300 HydrophobicContact CD1-SD 3.68Å; I251-M300 HydrophobicContact CG1-SD 4.27Å; F272-M300 HydrophobicContact CD1-CE 3.48Å; F272-M300 VanDerWaalsContact CD1-CE 3.48Å; F272-M300 HydrophobicContact CE1-CE 3.57Å; F272-M300 HydrophobicContact CG-CE 4.19Å; F272-M300 HydrophobicContact CZ-CE 4.34Å; E295-M300 WeakPolarHBondContact O-CE 3.45Å; E295-M300 WeakPolarHBondContact O-CG 3.49Å; E295-M300 PolarHBondContact O-N 2.88Å; L296-M300 HydrophobicContact CD2-CG 3.96Å; L296-M300 WeakPolarHBondContact O-CB 3.46Å; M300-M302 VanDerWaalsContact C-N 3.27Å; M300-M302 PolarHBondContact O-N 2.88Å; M300-L303 HydrophobicContact CE-CD1 4.05Å; M300-L303 PolarHBondContact O-N 2.96Å; M300-V304 PolarHBondContact O-N 2.71Å
301	P	98.4	Very high	97.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59.9	-35.1	178.8	-25.8	36.2	0	0	0	113.4	Y215 G218 F219 L222 H299 V304	Y215-P301 HydrophobicContact CD1-CB 4.49Å; Y215-P301 HydrophobicContact CD2-CB 3.68Å; Y215-P301 HydrophobicContact CD2-CG 4.23Å; Y215-P301 HydrophobicContact CE1-CB 4.45Å; Y215-P301 HydrophobicContact CE1-CG 4.5Å; Y215-P301 HydrophobicContact CE2-CB 3.61Å; Y215-P301 HydrophobicContact CE2-CG 3.62Å; Y215-P301 HydrophobicContact CG-CB 4.11Å; G218-P301 WeakPolarHBondContact CA-O 3.34Å; F219-P301 HydrophobicContact CB-CB 4.26Å; F219-P301 HydrophobicContact CB-CG 4.36Å; F219-P301 HydrophobicContact CD2-CB 4.49Å; F219-P301 HydrophobicContact CD2-CG 3.75Å; L222-P301 HydrophobicContact CD1-CB 4.33Å; L222-P301 HydrophobicContact CD1-CG 3.91Å; H299-P301 VanDerWaalsContact C-CD 3.47Å; P301-V304 WeakPolarHBondContact O-CG2 3.2Å
302	M	98.5	Very high	97.9	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	8%	0.076	C	C	.	.	H	α-helix	trans	-81	-37	175.8	-67.1	-57.6	-64.9	0	0	111.8	E214 Y215 H299 M300 V304 N305 F308 L352 I401	E214-M302 HydrophobicContact CB-CE 4.16Å; E214-M302 HydrophobicContact CB-SD 4.24Å; Y215-M302 HydrophobicContact CD2-CG 3.99Å; Y215-M302 HydrophobicContact CD2-SD 4.22Å; Y215-M302 HydrophobicContact CG-SD 4.45Å; H299-M302 PolarHBondContact O-N 2.88Å; H299-M302 VanDerWaalsContact O-N 3.13Å; M300-M302 VanDerWaalsContact C-N 3.27Å; M300-M302 PolarHBondContact O-N 2.88Å; M302-V304 VanDerWaalsContact C-N 3.26Å; M302-V304 PolarHBondContact O-N 3.32Å; M302-N305 VanDerWaalsContact O-CB 3.26Å; M302-N305 WeakPolarHBondContact O-CB 3.46Å; M302-N305 PolarHBondContact O-N 3.08Å; M302-F308 HydrophobicContact CB-CD1 3.51Å; M302-F308 HydrophobicContact CB-CD2 4.44Å; M302-F308 HydrophobicContact CB-CE1 3.57Å; M302-F308 HydrophobicContact CB-CG 3.94Å; M302-F308 HydrophobicContact CB-CZ 4.07Å; M302-F308 HydrophobicContact CE-CB 4.17Å; M302-F308 HydrophobicContact CE-CD1 4.49Å; M302-F308 HydrophobicContact CE-CD2 3.47Å; M302-F308 VanDerWaalsContact CE-CD2 3.47Å; M302-F308 HydrophobicContact CE-CE2 3.9Å; M302-F308 HydrophobicContact CE-CG 3.79Å; M302-F308 HydrophobicContact CG-CE1 4.49Å; M302-F308 WeakPolarHBondContact O-CB 3.47Å; M302-L352 HydrophobicContact CE-CB 4.06Å; M302-L352 HydrophobicContact SD-CB 4.48Å; M302-I401 HydrophobicContact CE-CD1 3.98Å
303	L	98.6	Very high	98	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-70.8	-17.3	-179.3	-69.1	172.8	0	0	0	114	M243 S247 F249 F272 H299 M300 N305 F308	M243-L303 HydrophobicContact CE-CB 3.41Å; M243-L303 VanDerWaalsContact CE-CB 3.41Å; M243-L303 HydrophobicContact CE-CD1 4.05Å; M243-L303 HydrophobicContact CE-CG 4.37Å; S247-L303 WeakPolarHBondContact CB-O 3.48Å; S247-L303 PolarHBondContact OG-O 3.4Å; F249-L303 HydrophobicContact CD1-CD2 4.22Å; F249-L303 HydrophobicContact CE1-CD2 4.1Å; F249-L303 HydrophobicContact CZ-CD2 4.45Å; F272-L303 HydrophobicContact CB-CD1 4.02Å; F272-L303 HydrophobicContact CD1-CD1 4.38Å; F272-L303 HydrophobicContact CD2-CD1 3.47Å; F272-L303 VanDerWaalsContact CD2-CD1 3.47Å; F272-L303 HydrophobicContact CE2-CD1 3.98Å; F272-L303 HydrophobicContact CG-CD1 3.69Å; H299-L303 HydrophobicContact CB-CD1 4.05Å; H299-L303 PolarHBondContact O-N 2.93Å; M300-L303 HydrophobicContact CE-CD1 4.05Å; M300-L303 PolarHBondContact O-N 2.96Å; L303-N305 VanDerWaalsContact C-N 3.27Å; L303-F308 HydrophobicContact CD2-CD1 4.3Å; L303-F308 HydrophobicContact CD2-CE1 4.44Å
304	V	98.2	Very high	98	Very high	8 Å²	8	19.5 Å²	19.5	5%	0.048	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.8	168.3	-65	0	0	0	0	112.6	G218 L222 F242 M243 M300 P301 M302	G218-V304 VanDerWaalsContact CA-CG2 3.41Å; L222-V304 HydrophobicContact CD2-CG1 4.03Å; L222-V304 HydrophobicContact CG-CG1 4.4Å; F242-V304 HydrophobicContact CD1-CG1 4.07Å; F242-V304 HydrophobicContact CE1-CG1 3.91Å; M243-V304 HydrophobicContact CG-CG1 3.73Å; M300-V304 PolarHBondContact O-N 2.71Å; P301-V304 WeakPolarHBondContact O-CG2 3.2Å; M302-V304 VanDerWaalsContact C-N 3.26Å; M302-V304 PolarHBondContact O-N 3.32Å
305	N	97.8	Very high	98	Very high	38 Å²	38	18.4 Å²	18.4	20%	0.203	8%	0.081	C	C	.	.	S	Bend	trans	-78.3	124.6	173.5	-179.1	-70.4	0	0	0	110.5	E214 M302 L303 Q307 F308 A309	E214-N305 WeakPolarHBondContact CG-ND2 3.34Å; M302-N305 VanDerWaalsContact O-CB 3.26Å; M302-N305 WeakPolarHBondContact O-CB 3.46Å; M302-N305 PolarHBondContact O-N 3.08Å; L303-N305 VanDerWaalsContact C-N 3.27Å; N305-Q307 PolarHBondContact O-N 3.14Å; N305-Q307 WeakPolarHBondContact OD1-CA 3.08Å; N305-Q307 WeakPolarHBondContact OD1-CB 3.38Å; N305-Q307 PolarHBondContact OD1-N 2.89Å; N305-F308 HydrophobicContact CB-CB 4.22Å; N305-F308 PolarHBondContact O-N 3.06Å; N305-F308 PolarHBondContact OD1-N 3.3Å; N305-F308 VanDerWaalsContact OD1-N 3.09Å; N305-A309 VanDerWaalsContact O-CB 3.29Å; N305-A309 WeakPolarHBondContact O-CB 3.44Å; N305-A309 PolarHBondContact O-N 3.24Å
306	R	96.8	Very high	98	Very high	178 Å²	178	17.9 Å²	17.9	67%	0.672	8%	0.079	S	C	*	.	H	α-helix	trans	-62.2	-40	-176.8	-176.6	174.8	177.7	-169.3	1.1	113.5	A309 D310	R306-A309 PolarHBondContact O-N 3.09Å; R306-D310 PolarHBondContact O-N 3.01Å
307	Q	96.6	Very high	98	Very high	65 Å²	65	19.1 Å²	19.1	30%	0.304	9%	0.085	S	C	.	.	H	α-helix	trans	-66.8	-42.2	-178.8	-62.8	-168.4	-26.4	0	0	111	N305 D310 F311 I401 E402	N305-Q307 PolarHBondContact O-N 3.14Å; N305-Q307 WeakPolarHBondContact OD1-CA 3.08Å; N305-Q307 WeakPolarHBondContact OD1-CB 3.38Å; N305-Q307 PolarHBondContact OD1-N 2.89Å; Q307-D310 PolarHBondContact O-N 3.31Å; Q307-F311 PolarHBondContact O-N 3.33Å; Q307-F311 VanDerWaalsContact O-N 3.15Å; Q307-I401 HydrophobicContact CB-CG2 3.79Å; Q307-E402 PolarHBondContact NE2-OE1 2.82Å
308	F	98.2	Very high	97.8	Very high	1 Å²	1	19.8 Å²	19.8	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-67.5	-43	176.8	-166.1	-96.1	0	0	0	111.8	M302 L303 N305 D310 F311 S312 V338 L352 I401 M404	M302-F308 HydrophobicContact CB-CD1 3.51Å; M302-F308 HydrophobicContact CB-CD2 4.44Å; M302-F308 HydrophobicContact CB-CE1 3.57Å; M302-F308 HydrophobicContact CB-CG 3.94Å; M302-F308 HydrophobicContact CB-CZ 4.07Å; M302-F308 HydrophobicContact CE-CB 4.17Å; M302-F308 HydrophobicContact CE-CD1 4.49Å; M302-F308 HydrophobicContact CE-CD2 3.47Å; M302-F308 VanDerWaalsContact CE-CD2 3.47Å; M302-F308 HydrophobicContact CE-CE2 3.9Å; M302-F308 HydrophobicContact CE-CG 3.79Å; M302-F308 HydrophobicContact CG-CE1 4.49Å; M302-F308 WeakPolarHBondContact O-CB 3.47Å; L303-F308 HydrophobicContact CD2-CD1 4.3Å; L303-F308 HydrophobicContact CD2-CE1 4.44Å; N305-F308 HydrophobicContact CB-CB 4.22Å; N305-F308 PolarHBondContact O-N 3.06Å; N305-F308 PolarHBondContact OD1-N 3.3Å; N305-F308 VanDerWaalsContact OD1-N 3.09Å; F308-D310 VanDerWaalsContact C-N 3.31Å; F308-D310 PolarHBondContact O-N 2.88Å; F308-F311 WeakPolarHBondContact O-CB 3.41Å; F308-F311 PolarHBondContact O-N 2.88Å; F308-F311 VanDerWaalsContact O-N 3.09Å; F308-S312 PolarHBondContact O-N 2.78Å; F308-S312 PolarHBondContact O-OG 3.17Å; F308-V338 HydrophobicContact CE1-CG1 4.02Å; F308-V338 HydrophobicContact CE1-CG2 4.45Å; F308-V338 HydrophobicContact CZ-CB 4.18Å; F308-V338 HydrophobicContact CZ-CG1 3.88Å; F308-V338 HydrophobicContact CZ-CG2 3.97Å; F308-L352 HydrophobicContact CE2-CD1 3.86Å; F308-L352 HydrophobicContact CZ-CD1 4.44Å; F308-I401 HydrophobicContact CB-CD1 4.29Å; F308-I401 HydrophobicContact CB-CG2 4.49Å; F308-I401 HydrophobicContact CD2-CD1 4.34Å; F308-I401 HydrophobicContact CD2-CG1 4.46Å; F308-M404 HydrophobicContact CE2-CE 4.46Å
309	A	98.3	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57	-42.4	173.1	0	0	0	0	0	112.6	F249 N305 R306 F311 S312 Q313	F249-A309 HydrophobicContact CD2-CB 3.6Å; F249-A309 HydrophobicContact CE2-CB 3.62Å; F249-A309 WeakPolarHBondContact CE2-O 3.31Å; N305-A309 VanDerWaalsContact O-CB 3.29Å; N305-A309 WeakPolarHBondContact O-CB 3.44Å; N305-A309 PolarHBondContact O-N 3.24Å; R306-A309 PolarHBondContact O-N 3.09Å; A309-F311 VanDerWaalsContact C-N 3.33Å; A309-F311 PolarHBondContact O-N 3.24Å; A309-S312 PolarHBondContact O-N 3.48Å; A309-Q313 PolarHBondContact O-N 3.01Å
310	D	97.9	Very high	97.4	Very high	28 Å²	28	20.2 Å²	20.2	15%	0.15	9%	0.094	C	C	.	.	H	α-helix	trans	-61	-42.2	174.7	-66.1	-13	0	0	0	111.8	R270 R306 Q307 F308 Q313 E314 K405	R270-D310 IonicContact CZ-OD1 3.56Å; R270-D310 IonicContact NH1-OD1 3.66Å; R270-D310 PolarHBondContact NH1-OD1 3.28Å; R270-D310 IonicContact NH2-OD1 3.42Å; R270-D310 PolarHBondContact NH2-OD1 3.33Å; R306-D310 PolarHBondContact O-N 3.01Å; Q307-D310 PolarHBondContact O-N 3.31Å; F308-D310 VanDerWaalsContact C-N 3.31Å; F308-D310 PolarHBondContact O-N 2.88Å; D310-Q313 PolarHBondContact O-N 3.16Å; D310-E314 WeakPolarHBondContact O-CG 3.48Å; D310-E314 PolarHBondContact O-N 3.37Å; D310-K405 HydrophobicContact CB-CD 4.36Å; D310-K405 IonicContact OD2-NZ 2.79Å; D310-K405 PolarHBondContact OD2-NZ 3.07Å
311	F	98.2	Very high	96.7	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.013	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-47.7	176.3	172.6	-99.2	0	0	0	111.6	Q307 F308 A309 Q313 E314 L315 T337 V338 M404 K405 L408	Q307-F311 PolarHBondContact O-N 3.33Å; Q307-F311 VanDerWaalsContact O-N 3.15Å; F308-F311 WeakPolarHBondContact O-CB 3.41Å; F308-F311 PolarHBondContact O-N 2.88Å; F308-F311 VanDerWaalsContact O-N 3.09Å; A309-F311 VanDerWaalsContact C-N 3.33Å; A309-F311 PolarHBondContact O-N 3.24Å; F311-Q313 VanDerWaalsContact C-N 3.29Å; F311-Q313 PolarHBondContact O-N 2.95Å; F311-E314 PolarHBondContact O-N 3.31Å; F311-E314 VanDerWaalsContact O-N 3.15Å; F311-L315 HydrophobicContact CD1-CD1 4.28Å; F311-L315 HydrophobicContact CE1-CD1 3.56Å; F311-L315 HydrophobicContact CE1-CG 4.33Å; F311-L315 HydrophobicContact CZ-CD1 3.76Å; F311-L315 HydrophobicContact CZ-CG 4.2Å; F311-L315 PolarHBondContact O-N 3.18Å; F311-L315 VanDerWaalsContact O-N 3.09Å; F311-T337 HydrophobicContact CE1-CG2 4.45Å; F311-T337 VanDerWaalsContact CE1-OG1 3.31Å; F311-T337 WeakPolarHBondContact CE1-OG1 3.37Å; F311-T337 HydrophobicContact CZ-CG2 3.97Å; F311-T337 WeakPolarHBondContact CZ-OG1 3.4Å; F311-V338 HydrophobicContact CD1-CG2 4.24Å; F311-V338 HydrophobicContact CE1-CG2 3.84Å; F311-M404 HydrophobicContact CD1-CE 3.55Å; F311-M404 HydrophobicContact CD2-CB 4.03Å; F311-M404 HydrophobicContact CD2-CE 4.03Å; F311-M404 HydrophobicContact CE1-CE 3.34Å; F311-M404 HydrophobicContact CE2-CB 3.9Å; F311-M404 HydrophobicContact CE2-CE 3.84Å; F311-M404 HydrophobicContact CG-CE 3.89Å; F311-M404 HydrophobicContact CZ-CE 3.51Å; F311-K405 HydrophobicContact CB-CD 4.4Å; F311-K405 HydrophobicContact CB-CG 3.74Å; F311-K405 HydrophobicContact CD2-CG 4.11Å; F311-K405 HydrophobicContact CG-CG 4.41Å; F311-L408 HydrophobicContact CD2-CB 4.47Å; F311-L408 HydrophobicContact CD2-CD2 3.84Å; F311-L408 HydrophobicContact CE2-CB 4.05Å; F311-L408 HydrophobicContact CE2-CD2 3.66Å; F311-L408 HydrophobicContact CE2-CG 4.46Å; F311-L408 HydrophobicContact CZ-CD2 4.42Å
312	S	98.4	Very high	96.3	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-59.7	-40.2	176.2	-56.2	0	0	0	0	111.9	L267 F308 A309 L315 G316	L267-S312 WeakPolarHBondContact CB-O 3.41Å; F308-S312 PolarHBondContact O-N 2.78Å; F308-S312 PolarHBondContact O-OG 3.17Å; A309-S312 PolarHBondContact O-N 3.48Å; S312-L315 PolarHBondContact O-N 2.97Å; S312-G316 PolarHBondContact O-N 3.38Å; S312-G316 VanDerWaalsContact O-N 3.16Å
313	Q	98.4	Very high	95.7	Very high	18 Å²	18	24.8 Å²	24.8	8%	0.084	13%	0.132	C	C	.	.	H	α-helix	trans	-65.8	-40.4	175.2	-174	179.6	30.3	0	0	112.1	F249 L267 A268 R270 A309 D310 F311 L315 G316 L317	F249-Q313 HydrophobicContact CE2-CB 4.44Å; F249-Q313 HydrophobicContact CZ-CB 4.48Å; L267-Q313 WeakPolarHBondContact O-CA 3.44Å; A268-Q313 PolarHBondContact O-NE2 2.82Å; R270-Q313 HydrophobicContact CG-CB 4.28Å; R270-Q313 HydrophobicContact CG-CG 4.11Å; A309-Q313 PolarHBondContact O-N 3.01Å; D310-Q313 PolarHBondContact O-N 3.16Å; F311-Q313 VanDerWaalsContact C-N 3.29Å; F311-Q313 PolarHBondContact O-N 2.95Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.02Å; Q313-G316 PolarHBondContact O-N 3.33Å; Q313-G316 VanDerWaalsContact O-N 3.15Å; Q313-L317 HydrophobicContact CG-CD1 4.04Å; Q313-L317 HydrophobicContact CG-CG 4.26Å; Q313-L317 WeakPolarHBondContact O-CG 3.49Å; Q313-L317 PolarHBondContact O-N 2.56Å
314	E	97.4	Very high	95.1	Very high	29 Å²	29	30 Å²	30	14%	0.136	16%	0.157	C	C	.	.	H	α-helix	trans	-62.4	-38.1	178.3	-76.4	176.3	-154.4	0	0	112	D310 F311 A318 L408 R409	D310-E314 WeakPolarHBondContact O-CG 3.48Å; D310-E314 PolarHBondContact O-N 3.37Å; F311-E314 PolarHBondContact O-N 3.31Å; F311-E314 VanDerWaalsContact O-N 3.15Å; E314-A318 WeakPolarHBondContact O-CB 3.44Å; E314-A318 PolarHBondContact O-N 2.9Å; E314-L408 HydrophobicContact CB-CD2 3.67Å; E314-R409 IonicContact OE1-CZ 2.69Å; E314-R409 VanDerWaalsContact OE1-CZ 3.23Å; E314-R409 IonicContact OE1-NE 3.12Å; E314-R409 PolarHBondContact OE1-NE 2.67Å; E314-R409 IonicContact OE1-NH2 2.74Å; E314-R409 PolarHBondContact OE1-NH2 3.01Å; E314-R409 WeakPolarHBondContact OE2-CG 3.28Å; E314-R409 IonicContact OE2-NE 2.68Å; E314-R409 PolarHBondContact OE2-NE 3.18Å
315	L	97.7	Very high	94.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.9	-46.2	170.8	-77	172.3	0	0	0	111.5	F311 S312 Q313 A318 S319 L330 L333 Y334 V338 L408	F311-L315 HydrophobicContact CD1-CD1 4.28Å; F311-L315 HydrophobicContact CE1-CD1 3.56Å; F311-L315 HydrophobicContact CE1-CG 4.33Å; F311-L315 HydrophobicContact CZ-CD1 3.76Å; F311-L315 HydrophobicContact CZ-CG 4.2Å; F311-L315 PolarHBondContact O-N 3.18Å; F311-L315 VanDerWaalsContact O-N 3.09Å; S312-L315 PolarHBondContact O-N 2.97Å; Q313-L315 VanDerWaalsContact C-N 3.32Å; Q313-L315 PolarHBondContact O-N 3.02Å; L315-A318 PolarHBondContact O-N 3.28Å; L315-S319 PolarHBondContact O-N 2.94Å; L315-L330 HydrophobicContact CD2-CD2 4.16Å; L315-L333 HydrophobicContact CD2-CB 4.13Å; L315-Y334 HydrophobicContact CD1-CD2 3.92Å; L315-V338 HydrophobicContact CD1-CG2 4.33Å; L315-L408 HydrophobicContact CD2-CD1 3.78Å; L315-L408 HydrophobicContact CD2-CD2 3.85Å; L315-L408 HydrophobicContact CD2-CG 4.49Å; L315-L408 HydrophobicContact CG-CD2 3.73Å
316	G	97.9	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.2	-41.5	178.9	0	0	0	0	0	113.2	L264 A268 S312 Q313 A318 S319	L264-G316 WeakPolarHBondContact O-CA 3.4Å; A268-G316 VanDerWaalsContact CB-C 3.46Å; S312-G316 PolarHBondContact O-N 3.38Å; S312-G316 VanDerWaalsContact O-N 3.16Å; Q313-G316 PolarHBondContact O-N 3.33Å; Q313-G316 VanDerWaalsContact O-N 3.15Å; G316-A318 VanDerWaalsContact C-N 3.33Å; G316-A318 PolarHBondContact O-N 3.35Å; G316-S319 PolarHBondContact O-N 3.47Å; G316-S319 PolarHBondContact O-OG 2.83Å
317	L	97	Very high	94.2	Very high	26 Å²	26	27.5 Å²	27.5	14%	0.136	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-45.6	174.6	-75.2	168.8	0	0	0	110.5	A268 Q313 S319 L320 P421 V430	A268-L317 HydrophobicContact CB-CD2 4.08Å; A268-L317 HydrophobicContact CB-CG 4.27Å; Q313-L317 HydrophobicContact CG-CD1 4.04Å; Q313-L317 HydrophobicContact CG-CG 4.26Å; Q313-L317 WeakPolarHBondContact O-CG 3.49Å; Q313-L317 PolarHBondContact O-N 2.56Å; L317-S319 PolarHBondContact O-N 3.13Å; L317-S319 VanDerWaalsContact O-N 3.12Å; L317-L320 HydrophobicContact CD2-CD1 4.3Å; L317-L320 PolarHBondContact O-N 2.6Å; L317-L320 VanDerWaalsContact O-N 3.1Å; L317-P421 HydrophobicContact CB-CG 4.26Å; L317-P421 HydrophobicContact CD2-CB 4.16Å; L317-P421 WeakPolarHBondContact O-CG 3.43Å; L317-V430 HydrophobicContact CD2-CG2 4.19Å
318	A	95	Very high	94.1	Very high	15 Å²	15	28.5 Å²	28.5	12%	0.124	16%	0.161	C	C	.	.	H	α-helix	trans	-59.7	-24.6	178.5	0	0	0	0	0	113.9	E314 L315 G316 L330 I412	E314-A318 WeakPolarHBondContact O-CB 3.44Å; E314-A318 PolarHBondContact O-N 2.9Å; L315-A318 PolarHBondContact O-N 3.28Å; G316-A318 VanDerWaalsContact C-N 3.33Å; G316-A318 PolarHBondContact O-N 3.35Å; A318-L330 HydrophobicContact CB-CD1 3.94Å; A318-L330 HydrophobicContact CB-CD2 3.8Å; A318-L330 WeakPolarHBondContact O-CD1 3.29Å; A318-I412 HydrophobicContact CB-CD1 3.71Å; A318-I412 HydrophobicContact CB-CG1 3.83Å
319	S	94.9	Very high	94	Very high	5 Å²	5	32.7 Å²	32.7	4%	0.035	18%	0.177	C	C	.	.	H	α-helix	trans	-79.8	-16.5	179.9	86.8	0	0	0	0	113.5	L264 A265 L315 G316 L317 G321 A322 I327	L264-S319 WeakPolarHBondContact CB-OG 3.44Å; A265-S319 PolarHBondContact N-OG 2.9Å; L315-S319 PolarHBondContact O-N 2.94Å; G316-S319 PolarHBondContact O-N 3.47Å; G316-S319 PolarHBondContact O-OG 2.83Å; L317-S319 PolarHBondContact O-N 3.13Å; L317-S319 VanDerWaalsContact O-N 3.12Å; S319-G321 PolarHBondContact O-N 2.99Å; S319-A322 WeakPolarHBondContact O-CB 3.34Å; S319-A322 PolarHBondContact O-N 3.23Å; S319-I327 WeakPolarHBondContact O-CD1 3.21Å
320	L	92.7	Very high	93.9	Very high	7 Å²	7	33 Å²	33	4%	0.037	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	122	-178.6	-58	-179.3	0	0	0	110.6	Y130 P131 A265 A268 L317 A322 P421 V430 M432	Y130-L320 HydrophobicContact CD2-CB 4.33Å; Y130-L320 HydrophobicContact CG-CB 4.45Å; P131-L320 HydrophobicContact CG-CD2 4.18Å; A265-L320 HydrophobicContact CB-CD2 3.86Å; A268-L320 HydrophobicContact CB-CD1 3.69Å; A268-L320 HydrophobicContact CB-CD2 4.22Å; A268-L320 HydrophobicContact CB-CG 4.04Å; L317-L320 HydrophobicContact CD2-CD1 4.3Å; L317-L320 PolarHBondContact O-N 2.6Å; L317-L320 VanDerWaalsContact O-N 3.1Å; L320-A322 PolarHBondContact O-N 2.91Å; L320-P421 HydrophobicContact CB-CB 4.29Å; L320-P421 HydrophobicContact CB-CG 4.29Å; L320-P421 HydrophobicContact CD1-CB 4.16Å; L320-V430 HydrophobicContact CD1-CB 4.11Å; L320-V430 HydrophobicContact CD1-CG1 3.63Å; L320-V430 HydrophobicContact CD1-CG2 3.88Å; L320-M432 HydrophobicContact CB-CE 4.06Å
321	G	84.5	Confident	93.9	Very high	41 Å²	41	32.6 Å²	32.6	42%	0.423	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	23.2	-174.2	0	0	0	0	0	113.5	S319	S319-G321 PolarHBondContact O-N 2.99Å
322	A	88.6	Confident	93.8	Very high	2 Å²	2	32.9 Å²	32.9	2%	0.017	18%	0.18	C	C	.	.			trans	-84.3	147	174.9	0	0	0	0	0	111.6	S319 L320 E326 I327	S319-A322 WeakPolarHBondContact O-CB 3.34Å; S319-A322 PolarHBondContact O-N 3.23Å; L320-A322 PolarHBondContact O-N 2.91Å; A322-E326 WeakPolarHBondContact CA-OE2 3.38Å; A322-E326 HydrophobicContact CB-CB 3.83Å; A322-E326 WeakPolarHBondContact CB-OE2 3.49Å; A322-I327 HydrophobicContact CB-CD1 3.83Å; A322-I327 HydrophobicContact CB-CG1 4.11Å
323	S	87.1	Confident	93.8	Very high	54 Å²	54	33 Å²	33	38%	0.378	18%	0.181	S	C	.	.			trans	-68.5	161.9	172.6	76.3	0	0	0	0	111	E325 E326 I327	S323-E325 PolarHBondContact O-N 3.28Å; S323-E326 PolarHBondContact N-OE2 2.87Å; S323-E326 WeakPolarHBondContact O-CB 3.31Å; S323-E326 PolarHBondContact O-N 3.44Å; S323-E326 WeakPolarHBondContact OG-CG 3.22Å; S323-E326 PolarHBondContact OG-N 3.29Å; S323-I327 WeakPolarHBondContact O-CG1 3.37Å; S323-I327 PolarHBondContact O-N 2.74Å
324	E	86.7	Confident	93.8	Very high	111 Å²	111	32.8 Å²	32.8	52%	0.519	18%	0.179	S	C	.	.	H	α-helix	trans	-58.5	-32.6	178.1	-65.1	-62.1	140.1	0	0	113.1	K261 T328	K261-E324 IonicContact NZ-OE1 3.84Å; K261-E324 PolarHBondContact NZ-OE1 3.24Å; E324-T328 WeakPolarHBondContact O-CB 3.17Å; E324-T328 PolarHBondContact O-N 3.25Å; E324-T328 PolarHBondContact O-OG1 2.96Å
325	E	89.9	Confident	93.8	Very high	117 Å²	117	33.9 Å²	33.9	55%	0.547	18%	0.182	S	C	.	.	H	α-helix	trans	-66.4	-43.5	173.5	-175.1	-174.9	163.6	0	0	111.4	S323 T328 R329	S323-E325 PolarHBondContact O-N 3.28Å; E325-T328 WeakPolarHBondContact O-CB 3.35Å; E325-T328 PolarHBondContact O-N 3.39Å; E325-R329 PolarHBondContact O-N 3.32Å; E325-R329 IonicContact OE1-CZ 3.23Å; E325-R329 VanDerWaalsContact OE1-CZ 3.26Å; E325-R329 IonicContact OE1-NE 3.05Å; E325-R329 IonicContact OE1-NH1 3.64Å; E325-R329 IonicContact OE1-NH2 2.95Å; E325-R329 PolarHBondContact OE1-NH2 2.66Å
326	E	92	Very high	93.8	Very high	50 Å²	50	34 Å²	34	23%	0.234	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-41.7	176.7	-69.4	178.6	137.3	0	0	111.7	A322 S323 T328 R329 L330 K417	A322-E326 WeakPolarHBondContact CA-OE2 3.38Å; A322-E326 HydrophobicContact CB-CB 3.83Å; A322-E326 WeakPolarHBondContact CB-OE2 3.49Å; S323-E326 PolarHBondContact N-OE2 2.87Å; S323-E326 WeakPolarHBondContact O-CB 3.31Å; S323-E326 PolarHBondContact O-N 3.44Å; S323-E326 WeakPolarHBondContact OG-CG 3.22Å; S323-E326 PolarHBondContact OG-N 3.29Å; E326-T328 VanDerWaalsContact C-N 3.27Å; E326-T328 PolarHBondContact O-N 3.03Å; E326-R329 PolarHBondContact O-N 3Å; E326-L330 WeakPolarHBondContact O-CB 3.45Å; E326-L330 VanDerWaalsContact O-CG 3.29Å; E326-L330 WeakPolarHBondContact O-CG 3.46Å; E326-L330 PolarHBondContact O-N 3.22Å; E326-K417 VanDerWaalsContact CD-CE 3.48Å; E326-K417 WeakPolarHBondContact OE1-CE 3.09Å; E326-K417 IonicContact OE1-NZ 2.84Å; E326-K417 PolarHBondContact OE1-NZ 2.94Å; E326-K417 VanDerWaalsContact OE2-CE 3.23Å; E326-K417 WeakPolarHBondContact OE2-CE 3.42Å; E326-K417 IonicContact OE2-NZ 3.01Å; E326-K417 PolarHBondContact OE2-NZ 3.45Å
327	I	91.6	Very high	93.8	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-57.1	-43.9	172.8	-67.4	-63.6	0	0	0	110.1	P260 K261 S319 A322 S323 L330 S331	P260-I327 HydrophobicContact CB-CG2 4.27Å; K261-I327 HydrophobicContact CB-CG2 4.36Å; K261-I327 HydrophobicContact CG-CD1 4.3Å; S319-I327 WeakPolarHBondContact O-CD1 3.21Å; A322-I327 HydrophobicContact CB-CD1 3.83Å; A322-I327 HydrophobicContact CB-CG1 4.11Å; S323-I327 WeakPolarHBondContact O-CG1 3.37Å; S323-I327 PolarHBondContact O-N 2.74Å; I327-L330 PolarHBondContact O-N 2.86Å; I327-S331 VanDerWaalsContact O-CB 3.31Å; I327-S331 WeakPolarHBondContact O-CB 3.31Å; I327-S331 PolarHBondContact O-N 3.45Å; I327-S331 PolarHBondContact O-OG 3.03Å
328	T	94	Very high	93.9	Very high	85 Å²	85	33 Å²	33	52%	0.521	18%	0.177	S	C	.	.	H	α-helix	trans	-59.3	-50.7	176.8	-58.6	0	0	0	0	110.6	E324 E325 E326 L330 S331 T332	E324-T328 WeakPolarHBondContact O-CB 3.17Å; E324-T328 PolarHBondContact O-N 3.25Å; E324-T328 PolarHBondContact O-OG1 2.96Å; E325-T328 WeakPolarHBondContact O-CB 3.35Å; E325-T328 PolarHBondContact O-N 3.39Å; E326-T328 VanDerWaalsContact C-N 3.27Å; E326-T328 PolarHBondContact O-N 3.03Å; T328-L330 PolarHBondContact O-N 3.41Å; T328-S331 WeakPolarHBondContact O-CB 3.43Å; T328-S331 PolarHBondContact O-N 3.23Å; T328-T332 PolarHBondContact O-N 3.41Å; T328-T332 PolarHBondContact O-OG1 2.96Å
329	R	96.1	Very high	94	Very high	89 Å²	89	33.2 Å²	33.2	34%	0.336	18%	0.176	S	C	.	.	H	α-helix	trans	-61.1	-43.5	178.3	-70.5	-173.3	-176.9	155.7	6	113.1	E325 E326 S331 T332 L333 A382 Y411	E325-R329 PolarHBondContact O-N 3.32Å; E325-R329 IonicContact OE1-CZ 3.23Å; E325-R329 VanDerWaalsContact OE1-CZ 3.26Å; E325-R329 IonicContact OE1-NE 3.05Å; E325-R329 IonicContact OE1-NH1 3.64Å; E325-R329 IonicContact OE1-NH2 2.95Å; E325-R329 PolarHBondContact OE1-NH2 2.66Å; E326-R329 PolarHBondContact O-N 3Å; R329-S331 VanDerWaalsContact C-N 3.31Å; R329-S331 PolarHBondContact O-N 3.12Å; R329-T332 WeakPolarHBondContact O-CB 3.23Å; R329-T332 PolarHBondContact O-N 2.93Å; R329-L333 WeakPolarHBondContact O-CG 3.11Å; R329-L333 PolarHBondContact O-N 3.3Å; R329-A382 HydrophobicContact CB-CB 4.26Å; R329-Y411 WeakPolarHBondContact CD-OH 3.39Å
330	L	96.8	Very high	94.1	Very high	7 Å²	7	33.8 Å²	33.8	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-36.7	177.2	-70.7	169.6	0	0	0	111.8	L264 L315 A318 E326 I327 T328 L333 Y334	L264-L330 HydrophobicContact CD1-CB 4.04Å; L315-L330 HydrophobicContact CD2-CD2 4.16Å; A318-L330 HydrophobicContact CB-CD1 3.94Å; A318-L330 HydrophobicContact CB-CD2 3.8Å; A318-L330 WeakPolarHBondContact O-CD1 3.29Å; E326-L330 WeakPolarHBondContact O-CB 3.45Å; E326-L330 VanDerWaalsContact O-CG 3.29Å; E326-L330 WeakPolarHBondContact O-CG 3.46Å; E326-L330 PolarHBondContact O-N 3.22Å; I327-L330 PolarHBondContact O-N 2.86Å; T328-L330 PolarHBondContact O-N 3.41Å; L330-L333 PolarHBondContact O-N 2.86Å; L330-Y334 WeakPolarHBondContact O-CB 3.24Å; L330-Y334 PolarHBondContact O-N 3.09Å
331	S	96.1	Very high	94.4	Very high	20 Å²	20	33.6 Å²	33.6	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-66.1	-41	174.5	-55	0	0	0	0	111.2	P260 I327 T328 R329 L333 Y334 W335	P260-S331 VanDerWaalsContact CB-OG 3.24Å; P260-S331 WeakPolarHBondContact CB-OG 3.42Å; I327-S331 VanDerWaalsContact O-CB 3.31Å; I327-S331 WeakPolarHBondContact O-CB 3.31Å; I327-S331 PolarHBondContact O-N 3.45Å; I327-S331 PolarHBondContact O-OG 3.03Å; T328-S331 WeakPolarHBondContact O-CB 3.43Å; T328-S331 PolarHBondContact O-N 3.23Å; R329-S331 VanDerWaalsContact C-N 3.31Å; R329-S331 PolarHBondContact O-N 3.12Å; S331-L333 VanDerWaalsContact C-N 3.35Å; S331-Y334 WeakPolarHBondContact O-CB 3.15Å; S331-Y334 PolarHBondContact O-N 3.47Å; S331-W335 PolarHBondContact O-N 2.8Å
332	T	97.3	Very high	95	Very high	9 Å²	9	31.7 Å²	31.7	6%	0.055	16%	0.158	C	C	.	.	H	α-helix	trans	-63.2	-40.8	173.9	-50.5	0	0	0	0	111.5	T328 R329 W335 F336 A381 Q384 Y386	T328-T332 PolarHBondContact O-N 3.41Å; T328-T332 PolarHBondContact O-OG1 2.96Å; R329-T332 WeakPolarHBondContact O-CB 3.23Å; R329-T332 PolarHBondContact O-N 2.93Å; T332-W335 WeakPolarHBondContact O-CB 3.17Å; T332-W335 PolarHBondContact O-N 2.77Å; T332-F336 HydrophobicContact CG2-CD2 3.8Å; T332-F336 HydrophobicContact CG2-CE2 3.81Å; T332-F336 WeakPolarHBondContact O-CD2 3.42Å; T332-F336 PolarHBondContact O-N 3.24Å; T332-A381 WeakPolarHBondContact CG2-O 3.49Å; T332-Q384 WeakPolarHBondContact CG2-O 3.09Å; T332-Y386 HydrophobicContact CG2-CD1 4.3Å
333	L	98.1	Very high	95.5	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-62.5	-45	173.4	-71.8	178	0	0	0	112	L315 R329 L330 S331 W335 F336 T337 F376 I378 A381 A382 L408 Y411	L315-L333 HydrophobicContact CD2-CB 4.13Å; R329-L333 WeakPolarHBondContact O-CG 3.11Å; R329-L333 PolarHBondContact O-N 3.3Å; L330-L333 PolarHBondContact O-N 2.86Å; S331-L333 VanDerWaalsContact C-N 3.35Å; L333-W335 VanDerWaalsContact C-N 3.27Å; L333-W335 PolarHBondContact O-N 3.46Å; L333-F336 PolarHBondContact O-N 3.49Å; L333-T337 WeakPolarHBondContact O-CB 3.27Å; L333-T337 WeakPolarHBondContact O-CG2 3.44Å; L333-T337 PolarHBondContact O-N 3.39Å; L333-T337 VanDerWaalsContact O-N 3.08Å; L333-T337 PolarHBondContact O-OG1 2.77Å; L333-F376 HydrophobicContact CD2-CZ 4.46Å; L333-I378 HydrophobicContact CD1-CD1 3.96Å; L333-I378 HydrophobicContact CD1-CG1 3.79Å; L333-I378 HydrophobicContact CD2-CD1 4.43Å; L333-I378 HydrophobicContact CD2-CG1 3.6Å; L333-I378 HydrophobicContact CG-CG1 4.36Å; L333-A381 HydrophobicContact CD2-CB 3.9Å; L333-A382 HydrophobicContact CD1-CB 4.24Å; L333-A382 HydrophobicContact CD2-CB 3.86Å; L333-A382 HydrophobicContact CG-CB 3.91Å; L333-L408 HydrophobicContact CD1-CD1 4.44Å; L333-Y411 HydrophobicContact CD1-CD1 4.29Å; L333-Y411 HydrophobicContact CD1-CE1 4.17Å
334	Y	98.1	Very high	96	Very high	15 Å²	15	32.1 Å²	32.1	6%	0.059	16%	0.156	C	C	.	.	H	α-helix	trans	-57.1	-43.4	174.1	-176.7	-86.8	0	0	0	111	F263 L264 L267 H299 L315 L330 S331 T337 V338 E339	F263-Y334 HydrophobicContact CE1-CD1 4.4Å; F263-Y334 HydrophobicContact CE1-CD2 4.45Å; F263-Y334 AromaticContact CE1-CE1 3.73Å; F263-Y334 HydrophobicContact CE1-CE1 3.73Å; F263-Y334 AromaticContact CE1-CE2 3.81Å; F263-Y334 HydrophobicContact CE1-CE2 3.81Å; F263-Y334 AromaticContact CE1-CZ 3.43Å; F263-Y334 VanDerWaalsContact CE1-CZ 3.43Å; F263-Y334 HydrophobicContact CZ-CE1 4.29Å; F263-Y334 HydrophobicContact CZ-CE2 4.4Å; F263-Y334 AromaticContact CZ-CZ 3.8Å; F263-Y334 WeakPolarHBondContact CZ-OH 3.36Å; L264-Y334 HydrophobicContact CD2-CD2 4.29Å; L264-Y334 HydrophobicContact CD2-CG 4.42Å; L267-Y334 HydrophobicContact CD1-CD2 3.88Å; L267-Y334 HydrophobicContact CD1-CE2 3.57Å; H299-Y334 PolarHBondContact CE1-OH 3.04Å; H299-Y334 VanDerWaalsContact CE1-OH 3.32Å; L315-Y334 HydrophobicContact CD1-CD2 3.92Å; L330-Y334 WeakPolarHBondContact O-CB 3.24Å; L330-Y334 PolarHBondContact O-N 3.09Å; S331-Y334 WeakPolarHBondContact O-CB 3.15Å; S331-Y334 PolarHBondContact O-N 3.47Å; Y334-T337 PolarHBondContact O-N 2.85Å; Y334-V338 HydrophobicContact CD1-CB 4.32Å; Y334-V338 HydrophobicContact CD2-CB 3.9Å; Y334-V338 HydrophobicContact CD2-CG1 4.4Å; Y334-V338 HydrophobicContact CD2-CG2 3.68Å; Y334-V338 HydrophobicContact CE1-CB 4.09Å; Y334-V338 HydrophobicContact CE1-CG1 4.19Å; Y334-V338 HydrophobicContact CE2-CB 3.63Å; Y334-V338 HydrophobicContact CE2-CG1 3.63Å; Y334-V338 HydrophobicContact CE2-CG2 3.66Å; Y334-V338 HydrophobicContact CG-CB 4.22Å; Y334-V338 HydrophobicContact CG-CG2 4.31Å; Y334-V338 VanDerWaalsContact CZ-CG1 3.47Å; Y334-V338 WeakPolarHBondContact O-CA 3.41Å; Y334-V338 WeakPolarHBondContact O-CB 3.38Å; Y334-V338 PolarHBondContact O-N 2.73Å; Y334-V338 WeakPolarHBondContact OH-CG1 3.29Å; Y334-E339 HydrophobicContact CD1-CG 4.05Å; Y334-E339 HydrophobicContact CE1-CG 3.76Å; Y334-E339 VanDerWaalsContact CE1-OE1 3.23Å; Y334-E339 WeakPolarHBondContact CE1-OE1 3.48Å; Y334-E339 PolarHBondContact O-N 2.79Å
335	W	97.6	Very high	96.4	Very high	52 Å²	52	28.3 Å²	28.3	20%	0.197	14%	0.138	C	C	.	.	I	π-helix	trans	-59.3	-53.6	176.9	-171.3	-90.1	0	0	0	112.7	S331 T332 L333 T337 E339 F340 Y386 D388	S331-W335 PolarHBondContact O-N 2.8Å; T332-W335 WeakPolarHBondContact O-CB 3.17Å; T332-W335 PolarHBondContact O-N 2.77Å; L333-W335 VanDerWaalsContact C-N 3.27Å; L333-W335 PolarHBondContact O-N 3.46Å; W335-T337 PolarHBondContact O-N 2.92Å; W335-E339 HydrophobicContact CE3-CB 4.49Å; W335-E339 HydrophobicContact CE3-CG 4.27Å; W335-E339 WeakPolarHBondContact O-CB 3.34Å; W335-E339 PolarHBondContact O-N 3.42Å; W335-F340 AromaticContact CD1-CD2 3.79Å; W335-F340 AromaticContact CD2-CD2 3.91Å; W335-F340 HydrophobicContact CD2-CD2 3.91Å; W335-F340 AromaticContact CD2-CE2 3.8Å; W335-F340 HydrophobicContact CD2-CE2 3.8Å; W335-F340 AromaticContact CE2-CD2 3.49Å; W335-F340 VanDerWaalsContact CE2-CD2 3.49Å; W335-F340 AromaticContact CE2-CE2 3.25Å; W335-F340 HydrophobicContact CE3-CE2 4.21Å; W335-F340 HydrophobicContact CG-CD2 4.12Å; W335-F340 HydrophobicContact CG-CE2 4.49Å; W335-F340 AromaticContact CH2-CE2 3.71Å; W335-F340 HydrophobicContact CH2-CE2 3.71Å; W335-F340 HydrophobicContact CH2-CZ 4.31Å; W335-F340 AromaticContact CZ2-CD2 3.96Å; W335-F340 HydrophobicContact CZ2-CD2 3.96Å; W335-F340 AromaticContact CZ2-CE2 3.23Å; W335-F340 HydrophobicContact CZ2-CE2 3.23Å; W335-F340 AromaticContact CZ2-CZ 3.9Å; W335-F340 HydrophobicContact CZ2-CZ 3.9Å; W335-F340 HydrophobicContact CZ3-CE2 4.16Å; W335-F340 AromaticContact NE1-CD2 3.36Å; W335-F340 AromaticContact NE1-CE2 3.61Å; W335-F340 PolarHBondContact O-N 3.5Å; W335-Y386 HydrophobicContact CB-CD1 4.42Å; W335-Y386 AromaticContact CD1-CD1 4Å; W335-Y386 AromaticContact CD1-CG 3.69Å; W335-Y386 HydrophobicContact CD2-CD1 4.4Å; W335-Y386 AromaticContact CD2-CD2 3.88Å; W335-Y386 HydrophobicContact CD2-CD2 3.88Å; W335-Y386 HydrophobicContact CD2-CE2 4.14Å; W335-Y386 HydrophobicContact CD2-CG 4.03Å; W335-Y386 AromaticContact CE2-CD2 3.52Å; W335-Y386 AromaticContact CE2-CG 3.75Å; W335-Y386 HydrophobicContact CE3-CD2 4.39Å; W335-Y386 HydrophobicContact CE3-CE2 4.23Å; W335-Y386 HydrophobicContact CG-CD1 4.03Å; W335-Y386 HydrophobicContact CG-CD2 4.32Å; W335-Y386 HydrophobicContact CG-CE1 4.43Å; W335-Y386 AromaticContact CG-CG 3.97Å; W335-Y386 HydrophobicContact CG-CG 3.97Å; W335-Y386 HydrophobicContact CH2-CD2 4.23Å; W335-Y386 HydrophobicContact CH2-CE2 4.35Å; W335-Y386 AromaticContact CZ2-CD2 3.7Å; W335-Y386 HydrophobicContact CZ2-CD2 3.7Å; W335-Y386 HydrophobicContact CZ2-CE2 4.26Å; W335-Y386 HydrophobicContact CZ2-CG 4.35Å; W335-Y386 HydrophobicContact CZ3-CE2 4.34Å; W335-Y386 AromaticContact NE1-CD2 3.83Å; W335-Y386 AromaticContact NE1-CG 3.57Å; W335-D388 HydrophobicContact CH2-CB 4.45Å
336	F	97.9	Very high	96.6	Very high	3 Å²	3	30.2 Å²	30.2	1%	0.013	15%	0.152	C	C	.	.	I	π-helix	trans	-79	-0.5	-176.5	-75.8	-66.1	0	0	0	115	T332 L333 G341 Q384 Y386 F396	T332-F336 HydrophobicContact CG2-CD2 3.8Å; T332-F336 HydrophobicContact CG2-CE2 3.81Å; T332-F336 WeakPolarHBondContact O-CD2 3.42Å; T332-F336 PolarHBondContact O-N 3.24Å; L333-F336 PolarHBondContact O-N 3.49Å; F336-G341 WeakPolarHBondContact O-CA 3.48Å; F336-Q384 HydrophobicContact CD2-CB 4.15Å; F336-Q384 HydrophobicContact CD2-CG 4.35Å; F336-Q384 HydrophobicContact CE1-CG 4.08Å; F336-Q384 HydrophobicContact CE2-CB 3.58Å; F336-Q384 HydrophobicContact CE2-CG 3.51Å; F336-Q384 WeakPolarHBondContact CE2-O 3.34Å; F336-Q384 HydrophobicContact CZ-CB 3.99Å; F336-Q384 HydrophobicContact CZ-CG 3.34Å; F336-Y386 HydrophobicContact CE2-CD1 4.3Å; F336-F396 HydrophobicContact CB-CD2 3.7Å; F336-F396 HydrophobicContact CB-CE2 4.21Å; F336-F396 AromaticContact CD1-CD2 3.59Å; F336-F396 HydrophobicContact CD1-CD2 3.59Å; F336-F396 AromaticContact CD1-CE2 3.81Å; F336-F396 HydrophobicContact CD1-CE2 3.81Å; F336-F396 HydrophobicContact CD2-CD2 4.48Å; F336-F396 HydrophobicContact CD2-CE2 4.2Å; F336-F396 HydrophobicContact CE1-CD2 4.37Å; F336-F396 HydrophobicContact CE1-CE2 4.23Å; F336-F396 AromaticContact CG-CD2 3.66Å; F336-F396 HydrophobicContact CG-CD2 3.66Å; F336-F396 AromaticContact CG-CE2 3.79Å; F336-F396 HydrophobicContact CG-CE2 3.79Å
337	T	98	Very high	96.7	Very high	2 Å²	2	31 Å²	31	1%	0.012	17%	0.174	C	C	.	.	I	π-helix	trans	-118.1	-65.9	175.3	57.5	0	0	0	0	111.5	F311 L333 Y334 W335 G341 L352 F376 M404	F311-T337 HydrophobicContact CE1-CG2 4.45Å; F311-T337 VanDerWaalsContact CE1-OG1 3.31Å; F311-T337 WeakPolarHBondContact CE1-OG1 3.37Å; F311-T337 HydrophobicContact CZ-CG2 3.97Å; F311-T337 WeakPolarHBondContact CZ-OG1 3.4Å; L333-T337 WeakPolarHBondContact O-CB 3.27Å; L333-T337 WeakPolarHBondContact O-CG2 3.44Å; L333-T337 PolarHBondContact O-N 3.39Å; L333-T337 VanDerWaalsContact O-N 3.08Å; L333-T337 PolarHBondContact O-OG1 2.77Å; Y334-T337 PolarHBondContact O-N 2.85Å; W335-T337 PolarHBondContact O-N 2.92Å; T337-G341 WeakPolarHBondContact O-CA 3.49Å; T337-G341 PolarHBondContact O-N 3.39Å; T337-L352 WeakPolarHBondContact O-CD1 3.48Å; T337-F376 HydrophobicContact CG2-CD2 4.18Å; T337-F376 HydrophobicContact CG2-CE2 3.39Å; T337-F376 HydrophobicContact CG2-CZ 3.73Å; T337-M404 HydrophobicContact CG2-CE 4.11Å
338	V	98.3	Very high	96.9	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	20%	0.196	C	C	.	.	I	π-helix	trans	-74.5	-36.7	-174.4	-175	0	0	0	0	112.3	F308 F311 L315 Y334 G353 A354	F308-V338 HydrophobicContact CE1-CG1 4.02Å; F308-V338 HydrophobicContact CE1-CG2 4.45Å; F308-V338 HydrophobicContact CZ-CB 4.18Å; F308-V338 HydrophobicContact CZ-CG1 3.88Å; F308-V338 HydrophobicContact CZ-CG2 3.97Å; F311-V338 HydrophobicContact CD1-CG2 4.24Å; F311-V338 HydrophobicContact CE1-CG2 3.84Å; L315-V338 HydrophobicContact CD1-CG2 4.33Å; Y334-V338 HydrophobicContact CD1-CB 4.32Å; Y334-V338 HydrophobicContact CD2-CB 3.9Å; Y334-V338 HydrophobicContact CD2-CG1 4.4Å; Y334-V338 HydrophobicContact CD2-CG2 3.68Å; Y334-V338 HydrophobicContact CE1-CB 4.09Å; Y334-V338 HydrophobicContact CE1-CG1 4.19Å; Y334-V338 HydrophobicContact CE2-CB 3.63Å; Y334-V338 HydrophobicContact CE2-CG1 3.63Å; Y334-V338 HydrophobicContact CE2-CG2 3.66Å; Y334-V338 HydrophobicContact CG-CB 4.22Å; Y334-V338 HydrophobicContact CG-CG2 4.31Å; Y334-V338 VanDerWaalsContact CZ-CG1 3.47Å; Y334-V338 WeakPolarHBondContact O-CA 3.41Å; Y334-V338 WeakPolarHBondContact O-CB 3.38Å; Y334-V338 PolarHBondContact O-N 2.73Å; Y334-V338 WeakPolarHBondContact OH-CG1 3.29Å; V338-G353 CarbonylContact O-C 3.55Å; V338-G353 VanDerWaalsContact O-CA 3.27Å; V338-G353 WeakPolarHBondContact O-CA 3.14Å; V338-A354 PolarHBondContact O-N 3.18Å
339	E	97.6	Very high	97.1	Very high	20 Å²	20	34.4 Å²	34.4	9%	0.093	19%	0.187	C	C	.	.	I	π-helix	trans	-87.2	-46.5	-179.2	-63.6	-62.9	154.7	0	0	112.7	H294 H299 Y334 W335 G353 A354 G355	H294-E339 IonicContact CE1-OE2 3.51Å; H294-E339 PolarHBondContact CE1-OE2 3.43Å; H294-E339 VanDerWaalsContact CE1-OE2 3.23Å; H294-E339 IonicContact NE2-OE2 2.65Å; H294-E339 PolarHBondContact NE2-OE2 3.13Å; H299-E339 IonicContact CE1-OE1 3.18Å; H299-E339 PolarHBondContact CE1-OE1 3.13Å; H299-E339 IonicContact CE1-OE2 2.73Å; H299-E339 IonicContact NE2-OE1 3.86Å; H299-E339 PolarHBondContact NE2-OE1 3.15Å; H299-E339 IonicContact NE2-OE2 2.78Å; Y334-E339 HydrophobicContact CD1-CG 4.05Å; Y334-E339 HydrophobicContact CE1-CG 3.76Å; Y334-E339 VanDerWaalsContact CE1-OE1 3.23Å; Y334-E339 WeakPolarHBondContact CE1-OE1 3.48Å; Y334-E339 PolarHBondContact O-N 2.79Å; W335-E339 HydrophobicContact CE3-CB 4.49Å; W335-E339 HydrophobicContact CE3-CG 4.27Å; W335-E339 WeakPolarHBondContact O-CB 3.34Å; W335-E339 PolarHBondContact O-N 3.42Å; E339-G353 CarbonylContact O-C 3.37Å; E339-G353 WeakPolarHBondContact O-CA 3.4Å; E339-A354 PolarHBondContact O-N 3.19Å; E339-A354 VanDerWaalsContact O-N 3.16Å; E339-G355 WeakPolarHBondContact O-CA 3.31Å; E339-G355 PolarHBondContact O-N 2.84Å
340	F	97.8	Very high	97.1	Very high	18 Å²	18	32.4 Å²	32.4	8%	0.079	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	25.3	-172.3	-59.4	-85.9	0	0	0	113.4	W335 I356 E362 Q392 Y395	W335-F340 AromaticContact CD1-CD2 3.79Å; W335-F340 AromaticContact CD2-CD2 3.91Å; W335-F340 HydrophobicContact CD2-CD2 3.91Å; W335-F340 AromaticContact CD2-CE2 3.8Å; W335-F340 HydrophobicContact CD2-CE2 3.8Å; W335-F340 AromaticContact CE2-CD2 3.49Å; W335-F340 VanDerWaalsContact CE2-CD2 3.49Å; W335-F340 AromaticContact CE2-CE2 3.25Å; W335-F340 HydrophobicContact CE3-CE2 4.21Å; W335-F340 HydrophobicContact CG-CD2 4.12Å; W335-F340 HydrophobicContact CG-CE2 4.49Å; W335-F340 AromaticContact CH2-CE2 3.71Å; W335-F340 HydrophobicContact CH2-CE2 3.71Å; W335-F340 HydrophobicContact CH2-CZ 4.31Å; W335-F340 AromaticContact CZ2-CD2 3.96Å; W335-F340 HydrophobicContact CZ2-CD2 3.96Å; W335-F340 AromaticContact CZ2-CE2 3.23Å; W335-F340 HydrophobicContact CZ2-CE2 3.23Å; W335-F340 AromaticContact CZ2-CZ 3.9Å; W335-F340 HydrophobicContact CZ2-CZ 3.9Å; W335-F340 HydrophobicContact CZ3-CE2 4.16Å; W335-F340 AromaticContact NE1-CD2 3.36Å; W335-F340 AromaticContact NE1-CE2 3.61Å; W335-F340 PolarHBondContact O-N 3.5Å; F340-I356 HydrophobicContact CD1-CG1 3.99Å; F340-E362 HydrophobicContact CD1-CG 3.95Å; F340-E362 HydrophobicContact CE1-CG 3.7Å; F340-Q392 HydrophobicContact CB-CG 4.16Å; F340-Q392 HydrophobicContact CD1-CG 3.52Å; F340-Q392 HydrophobicContact CD2-CG 4.15Å; F340-Q392 HydrophobicContact CE1-CG 3.87Å; F340-Q392 HydrophobicContact CE2-CG 4.5Å; F340-Q392 HydrophobicContact CG-CG 3.67Å; F340-Q392 HydrophobicContact CZ-CG 4.36Å; F340-Y395 HydrophobicContact CB-CD1 4.1Å; F340-Y395 HydrophobicContact CB-CE1 4.23Å; F340-Y395 HydrophobicContact CD1-CE1 4.15Å; F340-Y395 WeakPolarHBondContact O-CD1 3.17Å
341	G	97.9	Very high	97.2	Very high	3 Å²	3	32 Å²	32	3%	0.031	18%	0.178	C	C	.	.			trans	-72.4	145.7	175.9	0	0	0	0	0	113.4	F336 T337 L352 G353	F336-G341 WeakPolarHBondContact O-CA 3.48Å; T337-G341 WeakPolarHBondContact O-CA 3.49Å; T337-G341 PolarHBondContact O-N 3.39Å; G341-L352 WeakPolarHBondContact O-CG 3.11Å; G341-L352 PolarHBondContact O-N 2.94Å; G341-L352 VanDerWaalsContact O-N 3.11Å; G341-G353 PolarHBondContact O-N 3.33Å
342	L	98.5	Very high	97.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	161.7	166.6	-59.2	176.9	0	0	0	109.2	T349 R350 A351 I356 F367 K373 Y395 F396 V397 T398	L342-T349 HydrophobicContact CB-CG2 3.93Å; L342-T349 HydrophobicContact CD1-CG2 3.82Å; L342-T349 HydrophobicContact CG-CG2 4.31Å; L342-R350 CarbonylContact C-O 3.54Å; L342-R350 VanDerWaalsContact CA-O 3.3Å; L342-R350 WeakPolarHBondContact CA-O 2.92Å; L342-A351 HydrophobicContact CD2-CB 3.62Å; L342-I356 HydrophobicContact CD2-CD1 3.64Å; L342-I356 HydrophobicContact CG-CD1 4.38Å; L342-F367 HydrophobicContact CD2-CZ 4.43Å; L342-K373 HydrophobicContact CD1-CG 3.81Å; L342-Y395 HydrophobicContact CD1-CG 4.11Å; L342-F396 PolarHBondContact N-O 3.01Å; L342-V397 HydrophobicContact CB-CB 4.39Å; L342-V397 HydrophobicContact CB-CG1 4.48Å; L342-V397 HydrophobicContact CB-CG2 3.94Å; L342-V397 HydrophobicContact CD1-CG2 4.12Å; L342-V397 WeakPolarHBondContact O-CA 3.13Å; L342-T398 PolarHBondContact O-N 2.95Å
343	C	97.9	Very high	97.3	Very high	8 Å²	8	30.7 Å²	30.7	5%	0.054	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	161.3	170.4	59.6	0	0	0	0	112.3	C212 T349 R350 L352 T398	C212-C343 WeakPolarHBondContact CB-SG 3.43Å; C343-T349 CarbonylContact O-C 3.38Å; C343-T349 WeakPolarHBondContact O-CA 3.35Å; C343-R350 PolarHBondContact N-O 3.42Å; C343-R350 PolarHBondContact O-N 2.89Å; C343-L352 HydrophobicContact CB-CD2 3.77Å; C343-T398 CarbonylContact C-O 3.57Å; C343-T398 WeakPolarHBondContact CA-O 3.41Å; C343-T398 HydrophobicContact CB-CG2 3.68Å
344	N	97.3	Very high	97.3	Very high	57 Å²	57	30.7 Å²	30.7	31%	0.305	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	127.6	167.6	-166.8	-29.2	0	0	0	109.5	G347 V397 T398	N344-G347 VanDerWaalsContact OD1-CA 3.28Å; N344-G347 WeakPolarHBondContact OD1-CA 3.41Å; N344-G347 PolarHBondContact OD1-N 3.14Å; N344-V397 HydrophobicContact CB-CG1 4.48Å; N344-T398 PolarHBondContact N-O 2.79Å
345	E	95.8	Very high	97.2	Very high	31 Å²	31	30.3 Å²	30.3	15%	0.145	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	114.5	173.8	-174.1	-173	92.1	0	0	108.7	R213 G347 E348 R350	R213-E345 WeakPolarHBondContact CB-OE2 3.47Å; R213-E345 PolarHBondContact N-OE2 2.81Å; E345-G347 PolarHBondContact O-N 3.19Å; E345-E348 PolarHBondContact N-O 2.84Å; E345-E348 PolarHBondContact O-N 2.96Å; E345-R350 HydrophobicContact CB-CG 3.72Å; E345-R350 IonicContact OE1-NE 2.82Å
346	N	94.2	Very high	97.1	Very high	156 Å²	156	27.8 Å²	27.8	83%	0.834	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	32.9	-179.8	-55.7	-51.4	0	0	0	114.1	E348	N346-E348 VanDerWaalsContact C-N 3.3Å
347	G	94	Very high	97.1	Very high	67 Å²	67	27.7 Å²	27.7	69%	0.691	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	2.3	-179	0	0	0	0	0	114.3	N344 E345	N344-G347 VanDerWaalsContact OD1-CA 3.28Å; N344-G347 WeakPolarHBondContact OD1-CA 3.41Å; N344-G347 PolarHBondContact OD1-N 3.14Å; E345-G347 PolarHBondContact O-N 3.19Å
348	E	95.8	Very high	97	Very high	106 Å²	106	27.9 Å²	27.9	50%	0.495	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	141.2	174.1	-64.7	-173.6	173.7	0	0	110.7	E345 N346 R350	E345-E348 PolarHBondContact N-O 2.84Å; E345-E348 PolarHBondContact O-N 2.96Å; N346-E348 VanDerWaalsContact C-N 3.3Å; E348-R350 IonicContact OE2-CZ 3.84Å; E348-R350 IonicContact OE2-NH1 3.72Å; E348-R350 PolarHBondContact OE2-NH1 2.77Å; E348-R350 IonicContact OE2-NH2 3.24Å; E348-R350 PolarHBondContact OE2-NH2 3.14Å
349	T	97.1	Very high	96.8	Very high	55 Å²	55	29.3 Å²	29.3	34%	0.337	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.3	170.7	-52.6	0	0	0	0	110	L342 C343 F367 V397	L342-T349 HydrophobicContact CB-CG2 3.93Å; L342-T349 HydrophobicContact CD1-CG2 3.82Å; L342-T349 HydrophobicContact CG-CG2 4.31Å; C343-T349 CarbonylContact O-C 3.38Å; C343-T349 WeakPolarHBondContact O-CA 3.35Å; T349-F367 HydrophobicContact CG2-CE1 4.27Å; T349-F367 WeakPolarHBondContact O-CE1 3.45Å; T349-V397 HydrophobicContact CG2-CG1 4.37Å; T349-V397 HydrophobicContact CG2-CG2 4.17Å
350	R	97.9	Very high	96.5	Very high	47 Å²	47	32 Å²	32	18%	0.177	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	151.6	173.5	-63.4	-63.5	-166.7	-138.8	-21	110	S209 R210 C212 L342 C343 E345 E348	S209-R350 PolarHBondContact O-NH1 3.09Å; R210-R350 WeakPolarHBondContact O-CA 3.28Å; C212-R350 HydrophobicContact CB-CB 3.93Å; L342-R350 CarbonylContact C-O 3.54Å; L342-R350 VanDerWaalsContact CA-O 3.3Å; L342-R350 WeakPolarHBondContact CA-O 2.92Å; C343-R350 PolarHBondContact N-O 3.42Å; C343-R350 PolarHBondContact O-N 2.89Å; E345-R350 HydrophobicContact CB-CG 3.72Å; E345-R350 IonicContact OE1-NE 2.82Å; E348-R350 IonicContact OE2-CZ 3.84Å; E348-R350 IonicContact OE2-NH1 3.72Å; E348-R350 PolarHBondContact OE2-NH1 2.77Å; E348-R350 IonicContact OE2-NH2 3.24Å; E348-R350 PolarHBondContact OE2-NH2 3.14Å
351	A	98.3	Very high	96.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	146.1	174.9	0	0	0	0	0	110.7	R210 C212 L342 I356 M357 F367	R210-A351 PolarHBondContact O-N 3.45Å; C212-A351 PolarHBondContact N-O 2.73Å; L342-A351 HydrophobicContact CD2-CB 3.62Å; A351-I356 HydrophobicContact CB-CB 4.32Å; A351-I356 HydrophobicContact CB-CD1 4.21Å; A351-I356 HydrophobicContact CB-CG2 3.77Å; A351-M357 HydrophobicContact CB-CE 3.27Å; A351-M357 WeakPolarHBondContact O-CE 3.19Å; A351-F367 HydrophobicContact CB-CE2 3.98Å; A351-F367 HydrophobicContact CB-CZ 3.97Å
352	L	97.4	Very high	96.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.185	C	C	.	.			trans	-130.7	-16.9	172.3	65.7	80.8	0	0	0	112.3	M302 F308 T337 G341 C343 T398 M404	M302-L352 HydrophobicContact CE-CB 4.06Å; M302-L352 HydrophobicContact SD-CB 4.48Å; F308-L352 HydrophobicContact CE2-CD1 3.86Å; F308-L352 HydrophobicContact CZ-CD1 4.44Å; T337-L352 WeakPolarHBondContact O-CD1 3.48Å; G341-L352 WeakPolarHBondContact O-CG 3.11Å; G341-L352 PolarHBondContact O-N 2.94Å; G341-L352 VanDerWaalsContact O-N 3.11Å; C343-L352 HydrophobicContact CB-CD2 3.77Å; L352-T398 HydrophobicContact CD2-CG2 4.2Å; L352-M404 HydrophobicContact CD2-SD 4.27Å
353	G	97.9	Very high	96	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.			trans	-71	135.8	-176.7	0	0	0	0	0	114	V338 E339 G341 G355 I356 M357	V338-G353 CarbonylContact O-C 3.55Å; V338-G353 VanDerWaalsContact O-CA 3.27Å; V338-G353 WeakPolarHBondContact O-CA 3.14Å; E339-G353 CarbonylContact O-C 3.37Å; E339-G353 WeakPolarHBondContact O-CA 3.4Å; G341-G353 PolarHBondContact O-N 3.33Å; G353-G355 PolarHBondContact O-N 3.26Å; G353-I356 WeakPolarHBondContact O-CB 3.43Å; G353-I356 PolarHBondContact O-N 3.11Å; G353-M357 WeakPolarHBondContact O-CG 3.37Å; G353-M357 PolarHBondContact O-N 2.97Å
354	A	97.6	Very high	95.9	Very high	2 Å²	2	35.6 Å²	35.6	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-64.2	-37.1	-177.8	0	0	0	0	0	114	G298 H299 V338 E339 I356 M357 S358	G298-A354 VanDerWaalsContact C-CB 3.44Å; H299-A354 HydrophobicContact CB-CB 4.4Å; H299-A354 WeakPolarHBondContact CE1-CB 3.41Å; H299-A354 WeakPolarHBondContact ND1-CB 3.31Å; H299-A354 VanDerWaalsContact NE2-CB 3.31Å; H299-A354 WeakPolarHBondContact NE2-CB 3.12Å; V338-A354 PolarHBondContact O-N 3.18Å; E339-A354 PolarHBondContact O-N 3.19Å; E339-A354 VanDerWaalsContact O-N 3.16Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 PolarHBondContact O-N 2.88Å; A354-M357 PolarHBondContact O-N 3.49Å; A354-S358 VanDerWaalsContact O-CB 3.3Å; A354-S358 WeakPolarHBondContact O-CB 3.23Å; A354-S358 PolarHBondContact O-N 2.99Å; A354-S358 PolarHBondContact O-OG 2.92Å
355	G	95.6	Very high	95.8	Very high	6 Å²	6	33.7 Å²	33.7	6%	0.062	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-38.3	173.2	0	0	0	0	0	112.2	E339 G353 S359	E339-G355 WeakPolarHBondContact O-CA 3.31Å; E339-G355 PolarHBondContact O-N 2.84Å; G353-G355 PolarHBondContact O-N 3.26Å; G355-S359 WeakPolarHBondContact O-CB 3.45Å; G355-S359 PolarHBondContact O-N 3.18Å
356	I	96.8	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-70.1	-45.7	173.8	-51.4	175.6	0	0	0	110	F340 L342 A351 G353 A354 S358 S359 E362 L363 A366 Y395	F340-I356 HydrophobicContact CD1-CG1 3.99Å; L342-I356 HydrophobicContact CD2-CD1 3.64Å; L342-I356 HydrophobicContact CG-CD1 4.38Å; A351-I356 HydrophobicContact CB-CB 4.32Å; A351-I356 HydrophobicContact CB-CD1 4.21Å; A351-I356 HydrophobicContact CB-CG2 3.77Å; G353-I356 WeakPolarHBondContact O-CB 3.43Å; G353-I356 PolarHBondContact O-N 3.11Å; A354-I356 VanDerWaalsContact C-N 3.3Å; A354-I356 PolarHBondContact O-N 2.88Å; I356-S358 VanDerWaalsContact C-N 3.28Å; I356-S358 PolarHBondContact O-N 2.59Å; I356-S359 PolarHBondContact O-N 3Å; I356-S359 VanDerWaalsContact O-O 3.12Å; I356-E362 HydrophobicContact CG1-CG 4.15Å; I356-L363 HydrophobicContact CG2-CB 3.94Å; I356-L363 HydrophobicContact CG2-CG 4.23Å; I356-A366 HydrophobicContact CD1-CB 4.32Å; I356-A366 HydrophobicContact CG2-CB 4.17Å; I356-Y395 HydrophobicContact CD1-CD1 3.9Å; I356-Y395 HydrophobicContact CD1-CE1 3.9Å; I356-Y395 HydrophobicContact CG1-CE1 4.15Å
357	M	97.1	Very high	96	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-73	-17	-174.6	-69	-57	170	0	0	115	M203 H207 A211 Y215 A351 G353 A354	M203-M357 WeakPolarHBondContact CE-O 3.39Å; H207-M357 PolarHBondContact CD2-SD 3.24Å; H207-M357 PolarHBondContact CE1-O 2.79Å; H207-M357 PolarHBondContact NE2-O 3.49Å; A211-M357 VanDerWaalsContact CA-CE 3.45Å; A211-M357 HydrophobicContact CB-CE 3.41Å; A211-M357 VanDerWaalsContact CB-CE 3.41Å; A211-M357 HydrophobicContact CB-SD 3.89Å; Y215-M357 HydrophobicContact CD1-SD 4.43Å; Y215-M357 HydrophobicContact CD2-CB 4.38Å; Y215-M357 HydrophobicContact CD2-CG 3.77Å; Y215-M357 HydrophobicContact CD2-SD 4.36Å; Y215-M357 HydrophobicContact CE1-SD 4.25Å; Y215-M357 HydrophobicContact CE2-CB 3.6Å; Y215-M357 HydrophobicContact CE2-CG 3.48Å; Y215-M357 VanDerWaalsContact CE2-CG 3.48Å; Y215-M357 HydrophobicContact CE2-SD 4.19Å; Y215-M357 HydrophobicContact CG-CG 4.46Å; A351-M357 HydrophobicContact CB-CE 3.27Å; A351-M357 WeakPolarHBondContact O-CE 3.19Å; G353-M357 WeakPolarHBondContact O-CG 3.37Å; G353-M357 PolarHBondContact O-N 2.97Å; A354-M357 PolarHBondContact O-N 3.49Å
358	S	95.5	Very high	96.1	Very high	6 Å²	6	25.1 Å²	25.1	4%	0.042	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-4.6	178.6	60.2	0	0	0	0	114.1	H294 A354 I356	H294-S358 PolarHBondContact ND1-OG 3.46Å; A354-S358 VanDerWaalsContact O-CB 3.3Å; A354-S358 WeakPolarHBondContact O-CB 3.23Å; A354-S358 PolarHBondContact O-N 2.99Å; A354-S358 PolarHBondContact O-OG 2.92Å; I356-S358 VanDerWaalsContact C-N 3.28Å; I356-S358 PolarHBondContact O-N 2.59Å
359	S	94.2	Very high	96.1	Very high	31 Å²	31	28.3 Å²	28.3	22%	0.217	15%	0.151	C	C	.	.			trans	-129.4	113	-177.7	176.9	0	0	0	0	111.5	G355 I356 G361 E362 L363	G355-S359 WeakPolarHBondContact O-CB 3.45Å; G355-S359 PolarHBondContact O-N 3.18Å; I356-S359 PolarHBondContact O-N 3Å; I356-S359 VanDerWaalsContact O-O 3.12Å; S359-G361 VanDerWaalsContact C-N 3.27Å; S359-G361 PolarHBondContact O-N 2.87Å; S359-E362 PolarHBondContact O-N 2.85Å; S359-E362 WeakPolarHBondContact OG-CB 3.2Å; S359-E362 PolarHBondContact OG-N 2.8Å; S359-L363 WeakPolarHBondContact O-CB 3.35Å; S359-L363 PolarHBondContact O-N 3.23Å
360	Y	92.9	Very high	96	Very high	77 Å²	77	32.4 Å²	32.4	30%	0.302	17%	0.17	S	C	.	.	H	α-helix	trans	-58.2	-41.4	175.4	-178.4	-88.5	0	0	0	112.1	K202 M203 V206 M285 L363 E364	K202-Y360 HydrophobicContact CD-CD2 4.16Å; K202-Y360 HydrophobicContact CD-CE2 4.47Å; K202-Y360 HydrophobicContact CG-CD2 3.92Å; K202-Y360 HydrophobicContact CG-CE2 4.3Å; M203-Y360 PolarHBondContact SD-N 3.49Å; V206-Y360 HydrophobicContact CG1-CD2 4.15Å; V206-Y360 HydrophobicContact CG1-CE2 3.75Å; V206-Y360 HydrophobicContact CG2-CD2 4.47Å; M285-Y360 HydrophobicContact CE-CG 4.28Å; Y360-L363 PolarHBondContact O-N 3.46Å; Y360-E364 HydrophobicContact CD1-CG 4.16Å; Y360-E364 HydrophobicContact CE1-CG 3.67Å; Y360-E364 WeakPolarHBondContact O-CG 3.33Å; Y360-E364 PolarHBondContact O-N 3.16Å
361	G	92.9	Very high	95.9	Very high	16 Å²	16	30.6 Å²	30.6	17%	0.165	16%	0.164	C	C	.	.	H	α-helix	trans	-67.4	-40.2	-179.4	0	0	0	0	0	112.5	S359 E364 N365	S359-G361 VanDerWaalsContact C-N 3.27Å; S359-G361 PolarHBondContact O-N 2.87Å; G361-E364 PolarHBondContact O-N 3.4Å; G361-N365 WeakPolarHBondContact O-CB 3.45Å; G361-N365 PolarHBondContact O-N 2.99Å
362	E	94.9	Very high	95.8	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.037	19%	0.186	C	C	.	.	H	α-helix	trans	-65.3	-43.2	175.6	-167	69.3	-153.7	0	0	111.1	F340 I356 S359 N365 A366 Y391 Q392 Y395	F340-E362 HydrophobicContact CD1-CG 3.95Å; F340-E362 HydrophobicContact CE1-CG 3.7Å; I356-E362 HydrophobicContact CG1-CG 4.15Å; S359-E362 PolarHBondContact O-N 2.85Å; S359-E362 WeakPolarHBondContact OG-CB 3.2Å; S359-E362 PolarHBondContact OG-N 2.8Å; E362-N365 PolarHBondContact O-N 3.38Å; E362-A366 VanDerWaalsContact O-CB 3.29Å; E362-A366 WeakPolarHBondContact O-CB 3.35Å; E362-A366 PolarHBondContact O-N 3.22Å; E362-Y391 WeakPolarHBondContact OE2-CA 3.33Å; E362-Y391 WeakPolarHBondContact OE2-CD1 3.35Å; E362-Q392 WeakPolarHBondContact OE1-CG 3.27Å; E362-Q392 PolarHBondContact OE1-N 2.78Å; E362-Y395 PolarHBondContact OE1-OH 2.82Å
363	L	95.3	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-46.6	177.4	-174.2	153.4	0	0	0	111.6	M203 V206 R210 I356 S359 Y360 N365 A366 F367	M203-L363 HydrophobicContact CE-CD1 4.24Å; V206-L363 HydrophobicContact CB-CD1 4.48Å; V206-L363 HydrophobicContact CB-CD2 4.39Å; V206-L363 HydrophobicContact CG2-CD1 3.85Å; V206-L363 HydrophobicContact CG2-CD2 4.41Å; R210-L363 HydrophobicContact CB-CD1 4.17Å; R210-L363 HydrophobicContact CB-CD2 4.23Å; R210-L363 HydrophobicContact CB-CG 4.38Å; R210-L363 HydrophobicContact CG-CD2 3.82Å; R210-L363 HydrophobicContact CG-CG 4.5Å; I356-L363 HydrophobicContact CG2-CB 3.94Å; I356-L363 HydrophobicContact CG2-CG 4.23Å; S359-L363 WeakPolarHBondContact O-CB 3.35Å; S359-L363 PolarHBondContact O-N 3.23Å; Y360-L363 PolarHBondContact O-N 3.46Å; L363-N365 VanDerWaalsContact C-N 3.34Å; L363-N365 PolarHBondContact O-N 3.41Å; L363-A366 PolarHBondContact O-N 3.08Å; L363-F367 HydrophobicContact CD2-CD2 4.33Å; L363-F367 HydrophobicContact CG-CD2 4.4Å; L363-F367 HydrophobicContact CG-CE2 4.42Å; L363-F367 VanDerWaalsContact O-CD2 3.24Å; L363-F367 WeakPolarHBondContact O-CD2 3.39Å; L363-F367 PolarHBondContact O-N 2.89Å
364	E	95	Very high	95.8	Very high	82 Å²	82	41.4 Å²	41.4	38%	0.383	22%	0.219	S	C	.	.	H	α-helix	trans	-61.9	-42.6	174.3	-70	-65.5	118	0	0	111.8	Y360 G361 F367 S368	Y360-E364 HydrophobicContact CD1-CG 4.16Å; Y360-E364 HydrophobicContact CE1-CG 3.67Å; Y360-E364 WeakPolarHBondContact O-CG 3.33Å; Y360-E364 PolarHBondContact O-N 3.16Å; G361-E364 PolarHBondContact O-N 3.4Å; E364-F367 PolarHBondContact O-N 3.4Å; E364-S368 VanDerWaalsContact O-CB 3.31Å; E364-S368 WeakPolarHBondContact O-CB 3.37Å; E364-S368 PolarHBondContact O-N 2.92Å
365	N	96	Very high	95.8	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.091	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-45.3	177.8	-177.5	76.1	0	0	0	112.3	G361 E362 L363 F367 S368 S371 Y391 Q392 Y395	G361-N365 WeakPolarHBondContact O-CB 3.45Å; G361-N365 PolarHBondContact O-N 2.99Å; E362-N365 PolarHBondContact O-N 3.38Å; L363-N365 VanDerWaalsContact C-N 3.34Å; L363-N365 PolarHBondContact O-N 3.41Å; N365-F367 PolarHBondContact O-N 3.25Å; N365-S368 PolarHBondContact O-N 3.17Å; N365-S368 VanDerWaalsContact O-N 3.12Å; N365-S368 PolarHBondContact O-OG 3.28Å; N365-S371 PolarHBondContact O-OG 2.89Å; N365-Y391 HydrophobicContact CB-CD2 3.96Å; N365-Y391 HydrophobicContact CB-CG 4.15Å; N365-Q392 PolarHBondContact ND2-O 3.35Å; N365-Y395 PolarHBondContact ND2-OH 3.21Å
366	A	96.9	Very high	95.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-23.3	179.3	0	0	0	0	0	113.2	I356 E362 L363 K373 Y395	I356-A366 HydrophobicContact CD1-CB 4.32Å; I356-A366 HydrophobicContact CG2-CB 4.17Å; E362-A366 VanDerWaalsContact O-CB 3.29Å; E362-A366 WeakPolarHBondContact O-CB 3.35Å; E362-A366 PolarHBondContact O-N 3.22Å; L363-A366 PolarHBondContact O-N 3.08Å; A366-K373 WeakPolarHBondContact O-CE 3.33Å; A366-K373 PolarHBondContact O-NZ 2.99Å; A366-Y395 HydrophobicContact CB-CD1 4.3Å; A366-Y395 HydrophobicContact CB-CD2 4.45Å; A366-Y395 HydrophobicContact CB-CE1 3.78Å; A366-Y395 HydrophobicContact CB-CE2 3.94Å
367	F	96.4	Very high	95.9	Very high	41 Å²	41	49.5 Å²	49.5	18%	0.18	27%	0.265	C	S	.	.	H	α-helix	trans	-110.4	5	176.7	-68.8	-74.8	0	0	0	114.2	R210 L342 T349 A351 L363 E364 N365	R210-F367 HydrophobicContact CB-CD2 4.41Å; R210-F367 HydrophobicContact CB-CE2 3.81Å; R210-F367 HydrophobicContact CB-CZ 4.23Å; R210-F367 HydrophobicContact CG-CD2 4.26Å; R210-F367 HydrophobicContact CG-CE2 4.15Å; L342-F367 HydrophobicContact CD2-CZ 4.43Å; T349-F367 HydrophobicContact CG2-CE1 4.27Å; T349-F367 WeakPolarHBondContact O-CE1 3.45Å; A351-F367 HydrophobicContact CB-CE2 3.98Å; A351-F367 HydrophobicContact CB-CZ 3.97Å; L363-F367 HydrophobicContact CD2-CD2 4.33Å; L363-F367 HydrophobicContact CG-CD2 4.4Å; L363-F367 HydrophobicContact CG-CE2 4.42Å; L363-F367 VanDerWaalsContact O-CD2 3.24Å; L363-F367 WeakPolarHBondContact O-CD2 3.39Å; L363-F367 PolarHBondContact O-N 2.89Å; E364-F367 PolarHBondContact O-N 3.4Å; N365-F367 PolarHBondContact O-N 3.25Å
368	S	96.3	Very high	95.8	Very high	33 Å²	33	50 Å²	50	23%	0.231	27%	0.268	C	S	.	.	S	Bend	trans	-93.1	170.4	175	76	0	0	0	0	112.4	E364 N365 L370 K373	E364-S368 VanDerWaalsContact O-CB 3.31Å; E364-S368 WeakPolarHBondContact O-CB 3.37Å; E364-S368 PolarHBondContact O-N 2.92Å; N365-S368 PolarHBondContact O-N 3.17Å; N365-S368 VanDerWaalsContact O-N 3.12Å; N365-S368 PolarHBondContact O-OG 3.28Å; S368-L370 PolarHBondContact O-N 3.37Å; S368-L370 WeakPolarHBondContact OG-CB 3.13Å; S368-L370 PolarHBondContact OG-N 3.49Å; S368-K373 PolarHBondContact O-NZ 2.69Å
369	D	95.5	Very high	95.8	Very high	173 Å²	173	54.3 Å²	54.3	93%	0.925	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-0.6	172.4	-60.1	-36.3	0	0	0	113.6	S371	D369-S371 PolarHBondContact O-N 2.65Å
370	L	94.9	Very high	95.9	Very high	140 Å²	140	57.2 Å²	57.2	73%	0.733	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-10	178	-59.6	175.5	0	0	0	113.1	S368	S368-L370 PolarHBondContact O-N 3.37Å; S368-L370 WeakPolarHBondContact OG-CB 3.13Å; S368-L370 PolarHBondContact OG-N 3.49Å
371	S	96.2	Very high	96.1	Very high	9 Å²	9	53.5 Å²	53.5	6%	0.063	29%	0.288	C	S	.	.	S	Bend	trans	-129	148.7	-179.4	61.2	0	0	0	0	112.6	N365 D369 K373 K393 Y395	N365-S371 PolarHBondContact O-OG 2.89Å; D369-S371 PolarHBondContact O-N 2.65Å; S371-K373 PolarHBondContact O-NZ 3.04Å; S371-K373 WeakPolarHBondContact OG-CE 3.3Å; S371-K373 PolarHBondContact OG-NZ 2.94Å; S371-K393 CarbonylContact C-O 3.6Å; S371-K393 WeakPolarHBondContact CA-O 3.17Å; S371-Y395 WeakPolarHBondContact OG-CE2 3.48Å
372	V	97.2	Very high	96.3	Very high	74 Å²	74	52.9 Å²	52.9	45%	0.448	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	140.3	176.8	-175.4	0	0	0	0	109.5	E374 K393 I394 Y395	V372-E374 HydrophobicContact CG1-CG 4.15Å; V372-E374 VanDerWaalsContact CG1-OE1 3.3Å; V372-E374 WeakPolarHBondContact CG1-OE1 3.48Å; V372-K393 PolarHBondContact N-O 3.45Å; V372-I394 HydrophobicContact CB-CG1 4.46Å; V372-I394 WeakPolarHBondContact O-CA 3.49Å; V372-Y395 PolarHBondContact O-N 2.77Å
373	K	97.8	Very high	96.3	Very high	68 Å²	68	56.8 Å²	56.8	30%	0.296	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	107.4	178.2	-67.9	87.9	-171.1	167.3	0	107.5	L342 A366 S368 S371 Y395 V397	L342-K373 HydrophobicContact CD1-CG 3.81Å; A366-K373 WeakPolarHBondContact O-CE 3.33Å; A366-K373 PolarHBondContact O-NZ 2.99Å; S368-K373 PolarHBondContact O-NZ 2.69Å; S371-K373 PolarHBondContact O-NZ 3.04Å; S371-K373 WeakPolarHBondContact OG-CE 3.3Å; S371-K373 PolarHBondContact OG-NZ 2.94Å; K373-Y395 WeakPolarHBondContact CA-O 3.24Å; K373-V397 HydrophobicContact CB-CG2 3.79Å; K373-V397 HydrophobicContact CG-CG2 4.32Å
374	E	97.3	Very high	96.4	Very high	86 Å²	86	59.6 Å²	59.6	40%	0.402	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	145	-179.9	-67.9	-63.9	162.4	0	0	110	V372 F376 I394 Y395 F396 V397	V372-E374 HydrophobicContact CG1-CG 4.15Å; V372-E374 VanDerWaalsContact CG1-OE1 3.3Å; V372-E374 WeakPolarHBondContact CG1-OE1 3.48Å; E374-F376 PolarHBondContact O-N 3.23Å; E374-I394 HydrophobicContact CG-CG2 4.12Å; E374-Y395 PolarHBondContact N-O 3.48Å; E374-F396 HydrophobicContact CB-CD1 3.94Å; E374-F396 HydrophobicContact CB-CE1 4.03Å; E374-F396 CarbonylContact O-C 3.53Å; E374-F396 VanDerWaalsContact O-CA 3.31Å; E374-F396 WeakPolarHBondContact O-CA 3.1Å; E374-V397 PolarHBondContact O-N 2.64Å
375	P	97.4	Very high	96.3	Very high	95 Å²	95	61.6 Å²	61.6	62%	0.617	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	136	166.3	-21.7	33.3	0	0	0	110.2	N377	P375-N377 PolarHBondContact O-N 2.93Å; P375-N377 VanDerWaalsContact O-N 3.14Å
376	F	97.7	Very high	96	Very high	20 Å²	20	65.2 Å²	65.2	9%	0.088	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-63.4	118.6	177.9	-176.6	-102.3	0	0	0	110.1	L333 T337 E374 I378 A381 F396 V397 E407	L333-F376 HydrophobicContact CD2-CZ 4.46Å; T337-F376 HydrophobicContact CG2-CD2 4.18Å; T337-F376 HydrophobicContact CG2-CE2 3.39Å; T337-F376 HydrophobicContact CG2-CZ 3.73Å; E374-F376 PolarHBondContact O-N 3.23Å; F376-I378 HydrophobicContact CE1-CB 4.07Å; F376-I378 HydrophobicContact CZ-CB 4.14Å; F376-I378 HydrophobicContact CZ-CG1 4.23Å; F376-A381 HydrophobicContact CD2-CB 4.24Å; F376-A381 HydrophobicContact CE2-CB 3.77Å; F376-F396 HydrophobicContact CB-CB 4.21Å; F376-F396 HydrophobicContact CD2-CB 3.74Å; F376-F396 HydrophobicContact CD2-CG 4.25Å; F376-F396 HydrophobicContact CG-CB 4.47Å; F376-V397 WeakPolarHBondContact CB-O 3.1Å; F376-V397 PolarHBondContact N-O 3.29Å; F376-E407 WeakPolarHBondContact CD1-OE2 3.32Å; F376-E407 HydrophobicContact CE1-CB 4.16Å; F376-E407 WeakPolarHBondContact CE1-OE2 3.35Å
377	N	96.2	Very high	95.3	Very high	64 Å²	64	68 Å²	68	34%	0.342	36%	0.364	S	S	.	.			trans	-126.3	116.8	166.4	176.8	-39.4	0	0	0	106.9	P375 N379 D380 A381	P375-N377 PolarHBondContact O-N 2.93Å; P375-N377 VanDerWaalsContact O-N 3.14Å; N377-N379 VanDerWaalsContact C-N 3.26Å; N377-N379 PolarHBondContact O-N 2.95Å; N377-N379 PolarHBondContact OD1-N 2.87Å; N377-D380 HydrophobicContact CB-CB 4.22Å; N377-D380 WeakPolarHBondContact CB-OD2 3.31Å; N377-D380 PolarHBondContact ND2-OD2 3.37Å; N377-D380 PolarHBondContact O-N 3.37Å; N377-D380 PolarHBondContact OD1-N 3.17Å; N377-A381 WeakPolarHBondContact O-CB 3.41Å; N377-A381 PolarHBondContact O-N 2.93Å
378	I	96.2	Very high	94.6	Very high	11 Å²	11	71.1 Å²	71.1	6%	0.056	38%	0.383	C	S	.	.	H	α-helix	trans	-59	-32.3	-174.3	-164.5	160.3	0	0	0	114.8	L333 F376 A382 E407 L408 Y411	L333-I378 HydrophobicContact CD1-CD1 3.96Å; L333-I378 HydrophobicContact CD1-CG1 3.79Å; L333-I378 HydrophobicContact CD2-CD1 4.43Å; L333-I378 HydrophobicContact CD2-CG1 3.6Å; L333-I378 HydrophobicContact CG-CG1 4.36Å; F376-I378 HydrophobicContact CE1-CB 4.07Å; F376-I378 HydrophobicContact CZ-CB 4.14Å; F376-I378 HydrophobicContact CZ-CG1 4.23Å; I378-A382 WeakPolarHBondContact O-CB 3.5Å; I378-A382 PolarHBondContact O-N 3.28Å; I378-E407 HydrophobicContact CB-CB 4.15Å; I378-E407 HydrophobicContact CD1-CB 4.24Å; I378-E407 HydrophobicContact CG2-CB 4.23Å; I378-E407 PolarHBondContact N-OE2 2.84Å; I378-E407 VanDerWaalsContact N-OE2 3.09Å; I378-L408 HydrophobicContact CD1-CB 4.06Å; I378-L408 HydrophobicContact CD1-CD1 4.13Å; I378-Y411 HydrophobicContact CD1-CD1 4.46Å; I378-Y411 HydrophobicContact CD1-CG 3.97Å; I378-Y411 HydrophobicContact CG1-CD2 4.24Å; I378-Y411 HydrophobicContact CG1-CG 4.16Å; I378-Y411 HydrophobicContact CG2-CD2 4.24Å
379	N	95.6	Very high	93.9	Very high	95 Å²	95	75.6 Å²	75.6	51%	0.508	41%	0.409	S	S	.	.	H	α-helix	trans	-73	-38.7	-179.6	-62.4	-64.5	0	0	0	111.3	N377	N377-N379 VanDerWaalsContact C-N 3.26Å; N377-N379 PolarHBondContact O-N 2.95Å; N377-N379 PolarHBondContact OD1-N 2.87Å
380	D	96.3	Very high	93.5	Very high	92 Å²	92	69 Å²	69	49%	0.492	38%	0.381	S	S	.	.	H	α-helix	trans	-71.8	-44.5	177.6	-58.9	-33.1	0	0	0	110.2	N377 A382 V383 Q384	N377-D380 HydrophobicContact CB-CB 4.22Å; N377-D380 WeakPolarHBondContact CB-OD2 3.31Å; N377-D380 PolarHBondContact ND2-OD2 3.37Å; N377-D380 PolarHBondContact O-N 3.37Å; N377-D380 PolarHBondContact OD1-N 3.17Å; D380-A382 VanDerWaalsContact C-N 3.35Å; D380-A382 PolarHBondContact O-N 3.06Å; D380-V383 WeakPolarHBondContact O-CG2 3.43Å; D380-V383 PolarHBondContact O-N 3.17Å; D380-Q384 PolarHBondContact O-N 2.87Å; D380-Q384 VanDerWaalsContact O-N 3.11Å
381	A	96.8	Very high	93.4	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-62.3	-38.1	177.4	0	0	0	0	0	112.6	T332 L333 F376 N377 V383 Q384 F396	T332-A381 WeakPolarHBondContact CG2-O 3.49Å; L333-A381 HydrophobicContact CD2-CB 3.9Å; F376-A381 HydrophobicContact CD2-CB 4.24Å; F376-A381 HydrophobicContact CE2-CB 3.77Å; N377-A381 WeakPolarHBondContact O-CB 3.41Å; N377-A381 PolarHBondContact O-N 2.93Å; A381-V383 PolarHBondContact O-N 3.22Å; A381-Q384 PolarHBondContact O-N 2.73Å; A381-F396 HydrophobicContact CB-CD1 4.44Å; A381-F396 HydrophobicContact CB-CD2 4.09Å; A381-F396 HydrophobicContact CB-CE1 4.26Å; A381-F396 HydrophobicContact CB-CE2 3.87Å; A381-F396 HydrophobicContact CB-CG 4.34Å; A381-F396 HydrophobicContact CB-CZ 3.96Å
382	A	96	Very high	93.4	Very high	2 Å²	2	68.2 Å²	68.2	2%	0.017	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.4	-179	0	0	0	0	0	114.3	R329 L333 I378 D380 Y411	R329-A382 HydrophobicContact CB-CB 4.26Å; L333-A382 HydrophobicContact CD1-CB 4.24Å; L333-A382 HydrophobicContact CD2-CB 3.86Å; L333-A382 HydrophobicContact CG-CB 3.91Å; I378-A382 WeakPolarHBondContact O-CB 3.5Å; I378-A382 PolarHBondContact O-N 3.28Å; D380-A382 VanDerWaalsContact C-N 3.35Å; D380-A382 PolarHBondContact O-N 3.06Å; A382-Y411 HydrophobicContact CB-CE2 4.37Å
383	V	95.7	Very high	93.3	Very high	91 Å²	91	71.7 Å²	71.7	55%	0.552	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-0.8	-177.8	-57.6	0	0	0	0	113.3	D380 A381 V385	D380-V383 WeakPolarHBondContact O-CG2 3.43Å; D380-V383 PolarHBondContact O-N 3.17Å; A381-V383 PolarHBondContact O-N 3.22Å; V383-V385 PolarHBondContact O-N 2.91Å
384	Q	96.8	Very high	93.3	Very high	59 Å²	59	70.7 Å²	70.7	28%	0.276	38%	0.375	S	S	.	.			trans	-65.6	129.5	178.6	178.2	58.7	55.8	0	0	110.4	T332 F336 D380 A381 F396	T332-Q384 WeakPolarHBondContact CG2-O 3.09Å; F336-Q384 HydrophobicContact CD2-CB 4.15Å; F336-Q384 HydrophobicContact CD2-CG 4.35Å; F336-Q384 HydrophobicContact CE1-CG 4.08Å; F336-Q384 HydrophobicContact CE2-CB 3.58Å; F336-Q384 HydrophobicContact CE2-CG 3.51Å; F336-Q384 WeakPolarHBondContact CE2-O 3.34Å; F336-Q384 HydrophobicContact CZ-CB 3.99Å; F336-Q384 HydrophobicContact CZ-CG 3.34Å; D380-Q384 PolarHBondContact O-N 2.87Å; D380-Q384 VanDerWaalsContact O-N 3.11Å; A381-Q384 PolarHBondContact O-N 2.73Å; Q384-F396 HydrophobicContact CB-CE2 4.04Å; Q384-F396 HydrophobicContact CB-CZ 4.19Å; Q384-F396 HydrophobicContact CG-CE2 4Å; Q384-F396 HydrophobicContact CG-CZ 4.31Å
385	V	92.9	Very high	93.3	Very high	124 Å²	124	66.6 Å²	66.6	75%	0.752	36%	0.356	S	S	*	.			trans	-77	128.7	174	-177.7	0	0	0	0	108.9	V383	V383-V385 PolarHBondContact O-N 2.91Å
386	Y	89.4	Confident	93.4	Very high	93 Å²	93	62.4 Å²	62.4	37%	0.365	33%	0.328	S	S	.	.			trans	-105.1	163.9	175.5	58.6	-95.9	0	0	0	112.5	T332 W335 F336 D388	T332-Y386 HydrophobicContact CG2-CD1 4.3Å; W335-Y386 HydrophobicContact CB-CD1 4.42Å; W335-Y386 AromaticContact CD1-CD1 4Å; W335-Y386 AromaticContact CD1-CG 3.69Å; W335-Y386 HydrophobicContact CD2-CD1 4.4Å; W335-Y386 AromaticContact CD2-CD2 3.88Å; W335-Y386 HydrophobicContact CD2-CD2 3.88Å; W335-Y386 HydrophobicContact CD2-CE2 4.14Å; W335-Y386 HydrophobicContact CD2-CG 4.03Å; W335-Y386 AromaticContact CE2-CD2 3.52Å; W335-Y386 AromaticContact CE2-CG 3.75Å; W335-Y386 HydrophobicContact CE3-CD2 4.39Å; W335-Y386 HydrophobicContact CE3-CE2 4.23Å; W335-Y386 HydrophobicContact CG-CD1 4.03Å; W335-Y386 HydrophobicContact CG-CD2 4.32Å; W335-Y386 HydrophobicContact CG-CE1 4.43Å; W335-Y386 AromaticContact CG-CG 3.97Å; W335-Y386 HydrophobicContact CG-CG 3.97Å; W335-Y386 HydrophobicContact CH2-CD2 4.23Å; W335-Y386 HydrophobicContact CH2-CE2 4.35Å; W335-Y386 AromaticContact CZ2-CD2 3.7Å; W335-Y386 HydrophobicContact CZ2-CD2 3.7Å; W335-Y386 HydrophobicContact CZ2-CE2 4.26Å; W335-Y386 HydrophobicContact CZ2-CG 4.35Å; W335-Y386 HydrophobicContact CZ3-CE2 4.34Å; W335-Y386 AromaticContact NE1-CD2 3.83Å; W335-Y386 AromaticContact NE1-CG 3.57Å; F336-Y386 HydrophobicContact CE2-CD1 4.3Å; Y386-D388 HydrophobicContact CE2-CB 4.46Å
387	D	83.2	Confident	93.4	Very high	58 Å²	58	62.3 Å²	62.3	31%	0.31	33%	0.329	S	S	.	.			trans	-107.5	120.8	176.2	-169.3	-31.1	0	0	0	108.7	V389 G390 Q392	D387-V389 PolarHBondContact OD1-N 3.48Å; D387-G390 PolarHBondContact OD1-N 3.5Å; D387-Q392 PolarHBondContact O-NE2 2.97Å
388	D	81.9	Confident	93.5	Very high	107 Å²	107	59.5 Å²	59.5	57%	0.572	31%	0.314	S	S	*	.	S	Bend	trans	-95.1	1.3	-179.1	68.7	-31.9	0	0	0	113.4	W335 Y386	W335-D388 HydrophobicContact CH2-CB 4.45Å; Y386-D388 HydrophobicContact CE2-CB 4.46Å
389	V	82.1	Confident	93.5	Very high	127 Å²	127	64.6 Å²	64.6	77%	0.77	34%	0.338	S	S	*	.	S	Bend	trans	-114.2	-43.7	-177.8	-178.8	0	0	0	0	111.6	D387	D387-V389 PolarHBondContact OD1-N 3.48Å
390	G	86.9	Confident	93.4	Very high	34 Å²	34	62.2 Å²	62.2	35%	0.351	33%	0.328	S	S	.	.	S	Bend	trans	-97.9	-176.5	-179.6	0	0	0	0	0	113.8	D387	D387-G390 PolarHBondContact OD1-N 3.5Å
391	Y	92.7	Very high	93.4	Very high	126 Å²	126	58.1 Å²	58.1	49%	0.494	31%	0.306	S	S	.	.			trans	-74.2	149.2	170.3	-54.8	-36.2	0	0	0	111	E362 N365 K393	E362-Y391 WeakPolarHBondContact OE2-CA 3.33Å; E362-Y391 WeakPolarHBondContact OE2-CD1 3.35Å; N365-Y391 HydrophobicContact CB-CD2 3.96Å; N365-Y391 HydrophobicContact CB-CG 4.15Å; Y391-K393 PolarHBondContact O-N 3.31Å
392	Q	94.8	Very high	93.3	Very high	6 Å²	6	63.4 Å²	63.4	3%	0.028	33%	0.331	C	S	.	.			trans	-66.7	138.9	-178.7	-53.8	-51.7	-66	0	0	111.2	F340 E362 N365 D387 Y395	F340-Q392 HydrophobicContact CB-CG 4.16Å; F340-Q392 HydrophobicContact CD1-CG 3.52Å; F340-Q392 HydrophobicContact CD2-CG 4.15Å; F340-Q392 HydrophobicContact CE1-CG 3.87Å; F340-Q392 HydrophobicContact CE2-CG 4.5Å; F340-Q392 HydrophobicContact CG-CG 3.67Å; F340-Q392 HydrophobicContact CZ-CG 4.36Å; E362-Q392 WeakPolarHBondContact OE1-CG 3.27Å; E362-Q392 PolarHBondContact OE1-N 2.78Å; N365-Q392 PolarHBondContact ND2-O 3.35Å; D387-Q392 PolarHBondContact O-NE2 2.97Å; Q392-Y395 HydrophobicContact CB-CD1 4.35Å; Q392-Y395 HydrophobicContact CB-CE1 3.77Å; Q392-Y395 HydrophobicContact CB-CE2 4.03Å; Q392-Y395 HydrophobicContact CG-CE1 4.11Å; Q392-Y395 WeakPolarHBondContact O-CE2 3.31Å; Q392-Y395 PolarHBondContact O-OH 2.79Å
393	K	96	Very high	93.3	Very high	148 Å²	148	63.8 Å²	63.8	64%	0.643	33%	0.334	S	S	*	.	S	Bend	trans	-87.9	-24.1	175	-64	176.8	-174.7	167.2	0	112.3	S371 V372 Y391	S371-K393 CarbonylContact C-O 3.6Å; S371-K393 WeakPolarHBondContact CA-O 3.17Å; V372-K393 PolarHBondContact N-O 3.45Å; Y391-K393 PolarHBondContact O-N 3.31Å
394	I	97.3	Very high	93.3	Very high	46 Å²	46	59.6 Å²	59.6	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133	-177.5	-59.8	174	0	0	0	107.5	V372 E374 F396	V372-I394 HydrophobicContact CB-CG1 4.46Å; V372-I394 WeakPolarHBondContact O-CA 3.49Å; E374-I394 HydrophobicContact CG-CG2 4.12Å; I394-F396 HydrophobicContact CG2-CE2 4.39Å
395	Y	98.2	Very high	93.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	148.1	170.3	-59.1	-94.7	0	0	0	108.4	F340 L342 I356 E362 N365 A366 S371 V372 K373 E374 Q392	F340-Y395 HydrophobicContact CB-CD1 4.1Å; F340-Y395 HydrophobicContact CB-CE1 4.23Å; F340-Y395 HydrophobicContact CD1-CE1 4.15Å; F340-Y395 WeakPolarHBondContact O-CD1 3.17Å; L342-Y395 HydrophobicContact CD1-CG 4.11Å; I356-Y395 HydrophobicContact CD1-CD1 3.9Å; I356-Y395 HydrophobicContact CD1-CE1 3.9Å; I356-Y395 HydrophobicContact CG1-CE1 4.15Å; E362-Y395 PolarHBondContact OE1-OH 2.82Å; N365-Y395 PolarHBondContact ND2-OH 3.21Å; A366-Y395 HydrophobicContact CB-CD1 4.3Å; A366-Y395 HydrophobicContact CB-CD2 4.45Å; A366-Y395 HydrophobicContact CB-CE1 3.78Å; A366-Y395 HydrophobicContact CB-CE2 3.94Å; S371-Y395 WeakPolarHBondContact OG-CE2 3.48Å; V372-Y395 PolarHBondContact O-N 2.77Å; K373-Y395 WeakPolarHBondContact CA-O 3.24Å; E374-Y395 PolarHBondContact N-O 3.48Å; Q392-Y395 HydrophobicContact CB-CD1 4.35Å; Q392-Y395 HydrophobicContact CB-CE1 3.77Å; Q392-Y395 HydrophobicContact CB-CE2 4.03Å; Q392-Y395 HydrophobicContact CG-CE1 4.11Å; Q392-Y395 WeakPolarHBondContact O-CE2 3.31Å; Q392-Y395 PolarHBondContact O-OH 2.79Å
396	F	98.3	Very high	93.4	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.035	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.6	173	-69.1	-87.2	0	0	0	110.9	F336 L342 E374 F376 A381 Q384 I394	F336-F396 HydrophobicContact CB-CD2 3.7Å; F336-F396 HydrophobicContact CB-CE2 4.21Å; F336-F396 AromaticContact CD1-CD2 3.59Å; F336-F396 HydrophobicContact CD1-CD2 3.59Å; F336-F396 AromaticContact CD1-CE2 3.81Å; F336-F396 HydrophobicContact CD1-CE2 3.81Å; F336-F396 HydrophobicContact CD2-CD2 4.48Å; F336-F396 HydrophobicContact CD2-CE2 4.2Å; F336-F396 HydrophobicContact CE1-CD2 4.37Å; F336-F396 HydrophobicContact CE1-CE2 4.23Å; F336-F396 AromaticContact CG-CD2 3.66Å; F336-F396 HydrophobicContact CG-CD2 3.66Å; F336-F396 AromaticContact CG-CE2 3.79Å; F336-F396 HydrophobicContact CG-CE2 3.79Å; L342-F396 PolarHBondContact N-O 3.01Å; E374-F396 HydrophobicContact CB-CD1 3.94Å; E374-F396 HydrophobicContact CB-CE1 4.03Å; E374-F396 CarbonylContact O-C 3.53Å; E374-F396 VanDerWaalsContact O-CA 3.31Å; E374-F396 WeakPolarHBondContact O-CA 3.1Å; F376-F396 HydrophobicContact CB-CB 4.21Å; F376-F396 HydrophobicContact CD2-CB 3.74Å; F376-F396 HydrophobicContact CD2-CG 4.25Å; F376-F396 HydrophobicContact CG-CB 4.47Å; A381-F396 HydrophobicContact CB-CD1 4.44Å; A381-F396 HydrophobicContact CB-CD2 4.09Å; A381-F396 HydrophobicContact CB-CE1 4.26Å; A381-F396 HydrophobicContact CB-CE2 3.87Å; A381-F396 HydrophobicContact CB-CG 4.34Å; A381-F396 HydrophobicContact CB-CZ 3.96Å; Q384-F396 HydrophobicContact CB-CE2 4.04Å; Q384-F396 HydrophobicContact CB-CZ 4.19Å; Q384-F396 HydrophobicContact CG-CE2 4Å; Q384-F396 HydrophobicContact CG-CZ 4.31Å; I394-F396 HydrophobicContact CG2-CE2 4.39Å
397	V	98.5	Very high	93.7	Very high	18 Å²	18	56 Å²	56	11%	0.109	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.9	-179.8	-172.1	0	0	0	0	108.8	L342 N344 T349 K373 E374 F376	L342-V397 HydrophobicContact CB-CB 4.39Å; L342-V397 HydrophobicContact CB-CG1 4.48Å; L342-V397 HydrophobicContact CB-CG2 3.94Å; L342-V397 HydrophobicContact CD1-CG2 4.12Å; L342-V397 WeakPolarHBondContact O-CA 3.13Å; N344-V397 HydrophobicContact CB-CG1 4.48Å; T349-V397 HydrophobicContact CG2-CG1 4.37Å; T349-V397 HydrophobicContact CG2-CG2 4.17Å; K373-V397 HydrophobicContact CB-CG2 3.79Å; K373-V397 HydrophobicContact CG-CG2 4.32Å; E374-V397 PolarHBondContact O-N 2.64Å; F376-V397 WeakPolarHBondContact CB-O 3.1Å; F376-V397 PolarHBondContact N-O 3.29Å
398	T	97.7	Very high	94.3	Very high	4 Å²	4	53.2 Å²	53.2	3%	0.025	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	156.3	170.7	-165.2	0	0	0	0	112	L342 C343 N344 L352 S400 M404	L342-T398 PolarHBondContact O-N 2.95Å; C343-T398 CarbonylContact C-O 3.57Å; C343-T398 WeakPolarHBondContact CA-O 3.41Å; C343-T398 HydrophobicContact CB-CG2 3.68Å; N344-T398 PolarHBondContact N-O 2.79Å; L352-T398 HydrophobicContact CD2-CG2 4.2Å; T398-S400 PolarHBondContact OG1-O 3.19Å; T398-M404 HydrophobicContact CG2-CG 3.62Å; T398-M404 HydrophobicContact CG2-SD 3.47Å; T398-M404 WeakPolarHBondContact CG2-SD 3.29Å; T398-M404 WeakPolarHBondContact OG1-CG 3.31Å
399	E	96.5	Very high	94.9	Very high	119 Å²	119	53.4 Å²	53.4	56%	0.556	26%	0.258	S	S	*	.	S	Bend	trans	-74.8	-30.8	171	-66.5	-57.5	137.1	0	0	112.6
400	S	94.6	Very high	95.4	Very high	45 Å²	45	51.9 Å²	51.9	32%	0.315	25%	0.246	S	C	.	.			trans	-171.4	161.3	178.5	54.3	0	0	0	0	110.5	T398 E402 S403 M404	T398-S400 PolarHBondContact OG1-O 3.19Å; S400-E402 PolarHBondContact O-N 3.31Å; S400-S403 WeakPolarHBondContact O-CB 3.47Å; S400-S403 PolarHBondContact O-N 2.65Å; S400-S403 PolarHBondContact OG-N 3.4Å; S400-M404 PolarHBondContact O-N 3.49Å; S400-M404 VanDerWaalsContact O-N 3.07Å
401	I	95.1	Very high	95.7	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-36.2	171.6	-59.8	169.5	0	0	0	110.8	E214 M302 Q307 F308 S403 M404 K405	E214-I401 HydrophobicContact CB-CD1 4.31Å; E214-I401 HydrophobicContact CG-CD1 3.81Å; M302-I401 HydrophobicContact CE-CD1 3.98Å; Q307-I401 HydrophobicContact CB-CG2 3.79Å; F308-I401 HydrophobicContact CB-CD1 4.29Å; F308-I401 HydrophobicContact CB-CG2 4.49Å; F308-I401 HydrophobicContact CD2-CD1 4.34Å; F308-I401 HydrophobicContact CD2-CG1 4.46Å; I401-S403 PolarHBondContact O-N 3.13Å; I401-M404 WeakPolarHBondContact O-CB 3.42Å; I401-M404 PolarHBondContact O-N 2.99Å; I401-K405 WeakPolarHBondContact O-CG 3.35Å; I401-K405 PolarHBondContact O-N 3.2Å
402	E	95.3	Very high	95.6	Very high	110 Å²	110	47.9 Å²	47.9	51%	0.514	22%	0.221	S	C	.	.	H	α-helix	trans	-63.9	-38.2	175.5	-63.8	-172	168.9	0	0	112.8	Q307 S400 K405 R406	Q307-E402 PolarHBondContact NE2-OE1 2.82Å; S400-E402 PolarHBondContact O-N 3.31Å; E402-K405 PolarHBondContact O-N 3.05Å; E402-R406 WeakPolarHBondContact O-CB 3.4Å; E402-R406 PolarHBondContact O-N 3.16Å
403	S	95.5	Very high	95.2	Very high	11 Å²	11	51.3 Å²	51.3	8%	0.077	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-43.9	174.5	-159.4	0	0	0	0	111.5	S400 I401 K405 R406 E407	S400-S403 WeakPolarHBondContact O-CB 3.47Å; S400-S403 PolarHBondContact O-N 2.65Å; S400-S403 PolarHBondContact OG-N 3.4Å; I401-S403 PolarHBondContact O-N 3.13Å; S403-K405 VanDerWaalsContact C-N 3.33Å; S403-K405 PolarHBondContact O-N 2.88Å; S403-R406 PolarHBondContact O-N 2.93Å; S403-R406 PolarHBondContact OG-NH2 3.08Å; S403-E407 PolarHBondContact O-N 3.38Å
404	M	95.1	Very high	94.7	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-55.1	-47.8	174.8	-67.2	174.8	33	0	0	111.9	F308 F311 T337 L352 T398 S400 I401 R406 E407 L408	F308-M404 HydrophobicContact CE2-CE 4.46Å; F311-M404 HydrophobicContact CD1-CE 3.55Å; F311-M404 HydrophobicContact CD2-CB 4.03Å; F311-M404 HydrophobicContact CD2-CE 4.03Å; F311-M404 HydrophobicContact CE1-CE 3.34Å; F311-M404 HydrophobicContact CE2-CB 3.9Å; F311-M404 HydrophobicContact CE2-CE 3.84Å; F311-M404 HydrophobicContact CG-CE 3.89Å; F311-M404 HydrophobicContact CZ-CE 3.51Å; T337-M404 HydrophobicContact CG2-CE 4.11Å; L352-M404 HydrophobicContact CD2-SD 4.27Å; T398-M404 HydrophobicContact CG2-CG 3.62Å; T398-M404 HydrophobicContact CG2-SD 3.47Å; T398-M404 WeakPolarHBondContact CG2-SD 3.29Å; T398-M404 WeakPolarHBondContact OG1-CG 3.31Å; S400-M404 PolarHBondContact O-N 3.49Å; S400-M404 VanDerWaalsContact O-N 3.07Å; I401-M404 WeakPolarHBondContact O-CB 3.42Å; I401-M404 PolarHBondContact O-N 2.99Å; M404-R406 PolarHBondContact O-N 3.4Å; M404-E407 PolarHBondContact O-N 3.4Å; M404-L408 WeakPolarHBondContact O-CB 3.43Å; M404-L408 PolarHBondContact O-N 3.41Å
405	K	96.2	Very high	93.8	Very high	21 Å²	21	49.6 Å²	49.6	9%	0.091	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-45.4	177.3	-71.7	176.4	66.7	172	0	112	D310 F311 I401 E402 S403 E407 L408 R409	D310-K405 HydrophobicContact CB-CD 4.36Å; D310-K405 IonicContact OD2-NZ 2.79Å; D310-K405 PolarHBondContact OD2-NZ 3.07Å; F311-K405 HydrophobicContact CB-CD 4.4Å; F311-K405 HydrophobicContact CB-CG 3.74Å; F311-K405 HydrophobicContact CD2-CG 4.11Å; F311-K405 HydrophobicContact CG-CG 4.41Å; I401-K405 WeakPolarHBondContact O-CG 3.35Å; I401-K405 PolarHBondContact O-N 3.2Å; E402-K405 PolarHBondContact O-N 3.05Å; S403-K405 VanDerWaalsContact C-N 3.33Å; S403-K405 PolarHBondContact O-N 2.88Å; K405-E407 VanDerWaalsContact C-N 3.35Å; K405-E407 PolarHBondContact O-N 3.23Å; K405-L408 PolarHBondContact O-N 3.32Å; K405-R409 VanDerWaalsContact CE-NH2 3.26Å; K405-R409 WeakPolarHBondContact O-CB 3.17Å; K405-R409 VanDerWaalsContact O-CG 3.24Å; K405-R409 WeakPolarHBondContact O-CG 3.45Å; K405-R409 PolarHBondContact O-N 2.96Å
406	R	96	Very high	92.6	Very high	139 Å²	139	52.3 Å²	52.3	53%	0.525	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-44.1	179.8	179.1	174.8	54.9	-127.5	-6.1	111.4	E402 S403 M404 R409 N410	E402-R406 WeakPolarHBondContact O-CB 3.4Å; E402-R406 PolarHBondContact O-N 3.16Å; S403-R406 PolarHBondContact O-N 2.93Å; S403-R406 PolarHBondContact OG-NH2 3.08Å; M404-R406 PolarHBondContact O-N 3.4Å; R406-R409 PolarHBondContact O-N 2.64Å; R406-N410 VanDerWaalsContact O-CG 3.24Å; R406-N410 PolarHBondContact O-N 3.42Å; R406-N410 PolarHBondContact O-ND2 2.83Å
407	E	96.1	Very high	91.6	Very high	40 Å²	40	54.5 Å²	54.5	19%	0.187	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-45.1	176.2	-76	-173.2	-128.5	0	0	112.1	F376 I378 S403 M404 K405 R409 N410 Y411	F376-E407 WeakPolarHBondContact CD1-OE2 3.32Å; F376-E407 HydrophobicContact CE1-CB 4.16Å; F376-E407 WeakPolarHBondContact CE1-OE2 3.35Å; I378-E407 HydrophobicContact CB-CB 4.15Å; I378-E407 HydrophobicContact CD1-CB 4.24Å; I378-E407 HydrophobicContact CG2-CB 4.23Å; I378-E407 PolarHBondContact N-OE2 2.84Å; I378-E407 VanDerWaalsContact N-OE2 3.09Å; S403-E407 PolarHBondContact O-N 3.38Å; M404-E407 PolarHBondContact O-N 3.4Å; K405-E407 VanDerWaalsContact C-N 3.35Å; K405-E407 PolarHBondContact O-N 3.23Å; E407-R409 PolarHBondContact O-N 3.2Å; E407-N410 WeakPolarHBondContact O-CB 3.34Å; E407-N410 PolarHBondContact O-N 3.04Å; E407-Y411 WeakPolarHBondContact O-CB 3.45Å; E407-Y411 PolarHBondContact O-N 2.78Å
408	L	96.4	Very high	90.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.3	-45.6	176.3	-179.8	59.7	0	0	0	112.5	F311 E314 L315 L333 I378 M404 K405 N410 Y411 I412	F311-L408 HydrophobicContact CD2-CB 4.47Å; F311-L408 HydrophobicContact CD2-CD2 3.84Å; F311-L408 HydrophobicContact CE2-CB 4.05Å; F311-L408 HydrophobicContact CE2-CD2 3.66Å; F311-L408 HydrophobicContact CE2-CG 4.46Å; F311-L408 HydrophobicContact CZ-CD2 4.42Å; E314-L408 HydrophobicContact CB-CD2 3.67Å; L315-L408 HydrophobicContact CD2-CD1 3.78Å; L315-L408 HydrophobicContact CD2-CD2 3.85Å; L315-L408 HydrophobicContact CD2-CG 4.49Å; L315-L408 HydrophobicContact CG-CD2 3.73Å; L333-L408 HydrophobicContact CD1-CD1 4.44Å; I378-L408 HydrophobicContact CD1-CB 4.06Å; I378-L408 HydrophobicContact CD1-CD1 4.13Å; M404-L408 WeakPolarHBondContact O-CB 3.43Å; M404-L408 PolarHBondContact O-N 3.41Å; K405-L408 PolarHBondContact O-N 3.32Å; L408-N410 VanDerWaalsContact C-N 3.31Å; L408-N410 PolarHBondContact O-N 3.3Å; L408-Y411 WeakPolarHBondContact O-CB 3.35Å; L408-Y411 PolarHBondContact O-N 3.42Å; L408-I412 HydrophobicContact CD1-CD1 3.9Å; L408-I412 HydrophobicContact CD1-CG1 4.13Å; L408-I412 HydrophobicContact CG-CD1 3.78Å; L408-I412 HydrophobicContact CG-CG1 4.45Å; L408-I412 VanDerWaalsContact O-CG1 3.28Å; L408-I412 WeakPolarHBondContact O-CG1 3.31Å; L408-I412 PolarHBondContact O-N 3.28Å
409	R	93.5	Very high	90	Very high	111 Å²	111	58.9 Å²	58.9	42%	0.419	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-40.9	176	-69.9	166.8	-174	-174.5	-7.5	111.9	E314 K405 R406 E407 N413	E314-R409 IonicContact OE1-CZ 2.69Å; E314-R409 VanDerWaalsContact OE1-CZ 3.23Å; E314-R409 IonicContact OE1-NE 3.12Å; E314-R409 PolarHBondContact OE1-NE 2.67Å; E314-R409 IonicContact OE1-NH2 2.74Å; E314-R409 PolarHBondContact OE1-NH2 3.01Å; E314-R409 WeakPolarHBondContact OE2-CG 3.28Å; E314-R409 IonicContact OE2-NE 2.68Å; E314-R409 PolarHBondContact OE2-NE 3.18Å; K405-R409 VanDerWaalsContact CE-NH2 3.26Å; K405-R409 WeakPolarHBondContact O-CB 3.17Å; K405-R409 VanDerWaalsContact O-CG 3.24Å; K405-R409 WeakPolarHBondContact O-CG 3.45Å; K405-R409 PolarHBondContact O-N 2.96Å; R406-R409 PolarHBondContact O-N 2.64Å; E407-R409 PolarHBondContact O-N 3.2Å; R409-N413 VanDerWaalsContact O-CB 3.22Å; R409-N413 WeakPolarHBondContact O-CB 3.37Å; R409-N413 PolarHBondContact O-N 3.07Å; R409-N413 PolarHBondContact O-ND2 2.89Å
410	N	92.7	Very high	89.6	Confident	95 Å²	95	54.7 Å²	54.7	51%	0.508	29%	0.294	S	S	.	.	H	α-helix	trans	-63.2	-46.6	176.3	-71.8	-18.1	0	0	0	110.8	R406 E407 L408 I412 N413 T414	R406-N410 VanDerWaalsContact O-CG 3.24Å; R406-N410 PolarHBondContact O-N 3.42Å; R406-N410 PolarHBondContact O-ND2 2.83Å; E407-N410 WeakPolarHBondContact O-CB 3.34Å; E407-N410 PolarHBondContact O-N 3.04Å; L408-N410 VanDerWaalsContact C-N 3.31Å; L408-N410 PolarHBondContact O-N 3.3Å; N410-I412 PolarHBondContact O-N 2.8Å; N410-N413 PolarHBondContact O-N 3.13Å; N410-N413 VanDerWaalsContact O-N 3.16Å; N410-T414 WeakPolarHBondContact O-CG2 3.48Å; N410-T414 PolarHBondContact O-N 3.34Å; N410-T414 PolarHBondContact O-OG1 2.78Å
411	Y	93.3	Very high	89.5	Confident	43 Å²	43	53.3 Å²	53.3	17%	0.169	28%	0.284	C	S	.	.	H	α-helix	trans	-58.9	-47	177.6	-178.7	-95.6	0	0	0	112.4	R329 L333 I378 A382 E407 L408 N413 T414 S415	R329-Y411 WeakPolarHBondContact CD-OH 3.39Å; L333-Y411 HydrophobicContact CD1-CD1 4.29Å; L333-Y411 HydrophobicContact CD1-CE1 4.17Å; I378-Y411 HydrophobicContact CD1-CD1 4.46Å; I378-Y411 HydrophobicContact CD1-CG 3.97Å; I378-Y411 HydrophobicContact CG1-CD2 4.24Å; I378-Y411 HydrophobicContact CG1-CG 4.16Å; I378-Y411 HydrophobicContact CG2-CD2 4.24Å; A382-Y411 HydrophobicContact CB-CE2 4.37Å; E407-Y411 WeakPolarHBondContact O-CB 3.45Å; E407-Y411 PolarHBondContact O-N 2.78Å; L408-Y411 WeakPolarHBondContact O-CB 3.35Å; L408-Y411 PolarHBondContact O-N 3.42Å; Y411-N413 VanDerWaalsContact C-N 3.34Å; Y411-N413 PolarHBondContact O-N 2.93Å; Y411-T414 WeakPolarHBondContact CA-OG1 3.3Å; Y411-T414 PolarHBondContact O-N 3.29Å; Y411-T414 PolarHBondContact O-OG1 2.96Å; Y411-S415 PolarHBondContact O-N 3.11Å
412	I	90.4	Very high	89.4	Confident	33 Å²	33	55.9 Å²	55.9	17%	0.169	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-43.1	174.8	-65.4	163.5	0	0	0	110.5	A318 L408 N410 T414 S415	A318-I412 HydrophobicContact CB-CD1 3.71Å; A318-I412 HydrophobicContact CB-CG1 3.83Å; L408-I412 HydrophobicContact CD1-CD1 3.9Å; L408-I412 HydrophobicContact CD1-CG1 4.13Å; L408-I412 HydrophobicContact CG-CD1 3.78Å; L408-I412 HydrophobicContact CG-CG1 4.45Å; L408-I412 VanDerWaalsContact O-CG1 3.28Å; L408-I412 WeakPolarHBondContact O-CG1 3.31Å; L408-I412 PolarHBondContact O-N 3.28Å; N410-I412 PolarHBondContact O-N 2.8Å; I412-T414 PolarHBondContact O-N 2.83Å; I412-S415 WeakPolarHBondContact O-CB 3.1Å; I412-S415 PolarHBondContact O-N 3.31Å; I412-S415 PolarHBondContact O-OG 3.41Å
413	N	86.9	Confident	89.4	Confident	77 Å²	77	52.4 Å²	52.4	41%	0.412	28%	0.28	S	S	.	.	H	α-helix	trans	-66.6	-25	-179.6	-79.4	-41.8	0	0	0	113.2	R409 N410 Y411 R435	R409-N413 VanDerWaalsContact O-CB 3.22Å; R409-N413 WeakPolarHBondContact O-CB 3.37Å; R409-N413 PolarHBondContact O-N 3.07Å; R409-N413 PolarHBondContact O-ND2 2.89Å; N410-N413 PolarHBondContact O-N 3.13Å; N410-N413 VanDerWaalsContact O-N 3.16Å; Y411-N413 VanDerWaalsContact C-N 3.34Å; Y411-N413 PolarHBondContact O-N 2.93Å; N413-R435 PolarHBondContact O-NH1 2.82Å; N413-R435 VanDerWaalsContact O-NH1 3.15Å; N413-R435 PolarHBondContact O-NH2 3.48Å
414	T	86	Confident	89.4	Confident	108 Å²	108	54.5 Å²	54.5	66%	0.663	29%	0.29	S	S	*	.	H	α-helix	trans	-84.5	-10.2	175.8	48.9	0	0	0	0	114.7	N410 Y411 I412 G416	N410-T414 WeakPolarHBondContact O-CG2 3.48Å; N410-T414 PolarHBondContact O-N 3.34Å; N410-T414 PolarHBondContact O-OG1 2.78Å; Y411-T414 WeakPolarHBondContact CA-OG1 3.3Å; Y411-T414 PolarHBondContact O-N 3.29Å; Y411-T414 PolarHBondContact O-OG1 2.96Å; I412-T414 PolarHBondContact O-N 2.83Å; T414-G416 PolarHBondContact O-N 3.32Å
415	S	77.5	Confident	89.4	Confident	50 Å²	50	58.8 Å²	58.8	35%	0.35	32%	0.318	S	S	.	.	S	Bend	trans	-61.1	-12.9	-178.5	64.3	0	0	0	0	115.5	Y411 I412 K417	Y411-S415 PolarHBondContact O-N 3.11Å; I412-S415 WeakPolarHBondContact O-CB 3.1Å; I412-S415 PolarHBondContact O-N 3.31Å; I412-S415 PolarHBondContact O-OG 3.41Å; S415-K417 PolarHBondContact O-N 3.17Å; S415-K417 PolarHBondContact OG-N 2.92Å
416	G	72.5	Confident	89.4	Confident	57 Å²	57	65 Å²	65	59%	0.588	35%	0.351	S	S	*	.			trans	71.8	3.7	-176.8	0	0	0	0	0	114.7	T414 S418	T414-G416 PolarHBondContact O-N 3.32Å; G416-S418 PolarHBondContact O-N 3Å
417	K	78	Confident	89.4	Confident	55 Å²	55	61.6 Å²	61.6	24%	0.239	35%	0.345	C	S	.	.			trans	-62.2	129.9	176	-66.2	-172.4	-178.3	-171	0	111.4	E326 S415 T419 R435	E326-K417 VanDerWaalsContact CD-CE 3.48Å; E326-K417 WeakPolarHBondContact OE1-CE 3.09Å; E326-K417 IonicContact OE1-NZ 2.84Å; E326-K417 PolarHBondContact OE1-NZ 2.94Å; E326-K417 VanDerWaalsContact OE2-CE 3.23Å; E326-K417 WeakPolarHBondContact OE2-CE 3.42Å; E326-K417 IonicContact OE2-NZ 3.01Å; E326-K417 PolarHBondContact OE2-NZ 3.45Å; S415-K417 PolarHBondContact O-N 3.17Å; S415-K417 PolarHBondContact OG-N 2.92Å; K417-T419 VanDerWaalsContact C-N 3.34Å; K417-R435 PolarHBondContact O-NE 2.97Å
418	S	77	Confident	89.5	Confident	56 Å²	56	60.9 Å²	60.9	39%	0.392	34%	0.342	S	S	.	.	S	Bend	trans	-73.2	-28	179.7	62.9	0	0	0	0	112.5	E99 G416 S434 R435	E99-S418 WeakPolarHBondContact OE1-CB 3.35Å; G416-S418 PolarHBondContact O-N 3Å; S418-S434 WeakPolarHBondContact O-CA 3.19Å; S418-R435 PolarHBondContact O-N 2.84Å
419	T	84.9	Confident	89.5	Confident	57 Å²	57	62 Å²	62	35%	0.35	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.8	175.8	62.2	0	0	0	0	111.4	K417 K433	K417-T419 VanDerWaalsContact C-N 3.34Å; T419-K433 CarbonylContact C-O 3.5Å; T419-K433 VanDerWaalsContact CA-O 3.24Å; T419-K433 WeakPolarHBondContact CA-O 3.41Å
420	I	87.9	Confident	89.6	Confident	32 Å²	32	56.9 Å²	56.9	16%	0.164	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.9	179.4	-58.8	174.8	0	0	0	107.5	I422 K433 R435 I438	I420-I422 HydrophobicContact CG2-CD1 4.36Å; I420-K433 PolarHBondContact N-O 3.22Å; I420-K433 PolarHBondContact O-N 3.33Å; I420-R435 HydrophobicContact CD1-CG 3.95Å; I420-R435 HydrophobicContact CG1-CG 4.41Å; I420-I438 HydrophobicContact CB-CD1 3.89Å; I420-I438 HydrophobicContact CD1-CD1 4.21Å; I420-I438 HydrophobicContact CG1-CD1 4.44Å
421	P	92.3	Very high	89.6	Confident	15 Å²	15	56.6 Å²	56.6	10%	0.097	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	128.8	173.7	23.4	-26.8	0	0	0	110.6	L317 L320 V430 M432	L317-P421 HydrophobicContact CB-CG 4.26Å; L317-P421 HydrophobicContact CD2-CB 4.16Å; L317-P421 WeakPolarHBondContact O-CG 3.43Å; L320-P421 HydrophobicContact CB-CB 4.29Å; L320-P421 HydrophobicContact CB-CG 4.29Å; L320-P421 HydrophobicContact CD1-CB 4.16Å; P421-V430 HydrophobicContact CB-CG1 3.65Å; P421-M432 HydrophobicContact CB-CE 4.04Å; P421-M432 HydrophobicContact CB-SD 3.75Å; P421-M432 HydrophobicContact CG-CE 4.41Å; P421-M432 HydrophobicContact CG-SD 4.23Å
422	I	93.1	Very high	89.4	Confident	61 Å²	61	57.2 Å²	57.2	31%	0.313	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.6	175.8	-58.1	-62.3	0	0	0	108.1	I420 V430 H431 K433 I438	I420-I422 HydrophobicContact CG2-CD1 4.36Å; I422-V430 WeakPolarHBondContact O-CA 3.32Å; I422-H431 PolarHBondContact N-O 3.46Å; I422-H431 PolarHBondContact O-N 2.85Å; I422-K433 HydrophobicContact CG1-CB 4.2Å; I422-K433 HydrophobicContact CG1-CD 4.18Å; I422-K433 HydrophobicContact CG1-CG 4.15Å; I422-I438 HydrophobicContact CD1-CD1 3.95Å; I422-I438 HydrophobicContact CD1-CG1 4.4Å; I422-I438 HydrophobicContact CG1-CD1 4.12Å; I422-I438 HydrophobicContact CG1-CG1 4.35Å
423	Y	96.8	Very high	89.3	Confident	37 Å²	37	58.1 Å²	58.1	15%	0.145	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	128	173	177.9	-110.8	0	0	0	110.7	F269 P425 T429 V430	F269-Y423 HydrophobicContact CB-CE2 4.46Å; F269-Y423 HydrophobicContact CD1-CD2 4.16Å; F269-Y423 AromaticContact CD1-CE2 3.78Å; F269-Y423 HydrophobicContact CD1-CE2 3.78Å; F269-Y423 HydrophobicContact CE1-CE2 4.44Å; F269-Y423 HydrophobicContact CG-CE2 4.44Å; Y423-P425 HydrophobicContact CD1-CB 4.3Å; Y423-P425 HydrophobicContact CE1-CB 3.8Å; Y423-T429 CarbonylContact C-O 3.58Å; Y423-T429 WeakPolarHBondContact CA-O 3.41Å; Y423-T429 WeakPolarHBondContact CD2-O 3.41Å; Y423-V430 HydrophobicContact CD2-CG2 4.02Å
424	D	95.7	Very high	89.2	Confident	55 Å²	55	56 Å²	56	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	111.1	168.1	-171.4	-28.8	0	0	0	109	I426 T427 E428 T429	D424-I426 VanDerWaalsContact C-N 3.27Å; D424-I426 PolarHBondContact O-N 2.73Å; D424-I426 WeakPolarHBondContact OD1-CB 3.08Å; D424-I426 PolarHBondContact OD1-N 3.05Å; D424-T427 WeakPolarHBondContact CB-OG1 3.34Å; D424-T427 VanDerWaalsContact CG-OG1 3.22Å; D424-T427 PolarHBondContact OD1-N 3.46Å; D424-T427 PolarHBondContact OD2-OG1 3.42Å; D424-E428 VanDerWaalsContact O-CA 3.25Å; D424-E428 WeakPolarHBondContact O-CA 3.32Å; D424-E428 PolarHBondContact O-N 3.4Å; D424-T429 PolarHBondContact N-O 3.26Å; D424-T429 PolarHBondContact O-N 3.32Å
425	P	95	Very high	89.1	Confident	92 Å²	92	53.6 Å²	53.6	60%	0.597	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.2	-179.4	30.5	-35.6	0	0	0	113.9	Y423	Y423-P425 HydrophobicContact CD1-CB 4.3Å; Y423-P425 HydrophobicContact CE1-CB 3.8Å
426	I	95.6	Very high	89.5	Confident	153 Å²	153	53.5 Å²	53.5	79%	0.785	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-43.3	-179.6	-60.6	174	0	0	0	109.9	D424	D424-I426 VanDerWaalsContact C-N 3.27Å; D424-I426 PolarHBondContact O-N 2.73Å; D424-I426 WeakPolarHBondContact OD1-CB 3.08Å; D424-I426 PolarHBondContact OD1-N 3.05Å
427	T	96.6	Very high	90.1	Very high	66 Å²	66	52.2 Å²	52.2	41%	0.405	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-4	-179.5	52.1	0	0	0	0	113.5	H133 D424 T429	H133-T427 PolarHBondContact CD2-O 3.39Å; D424-T427 WeakPolarHBondContact CB-OG1 3.34Å; D424-T427 VanDerWaalsContact CG-OG1 3.22Å; D424-T427 PolarHBondContact OD1-N 3.46Å; D424-T427 PolarHBondContact OD2-OG1 3.42Å; T427-T429 PolarHBondContact O-N 3.44Å; T427-T429 PolarHBondContact OG1-OG1 2.85Å
428	E	97.3	Very high	90.6	Very high	26 Å²	26	51 Å²	51	12%	0.121	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	34.8	-178	-48.1	-170	136.3	0	0	112.9	I134 Y179 R250 F269 D424	I134-E428 HydrophobicContact CB-CB 4.06Å; I134-E428 HydrophobicContact CG2-CB 3.56Å; I134-E428 HydrophobicContact CG2-CG 4.44Å; I134-E428 WeakPolarHBondContact CG2-OE2 3.11Å; I134-E428 PolarHBondContact N-O 3.41Å; Y179-E428 PolarHBondContact OH-OE2 3.27Å; R250-E428 IonicContact CZ-OE1 3.82Å; R250-E428 IonicContact NH1-OE1 2.56Å; R250-E428 PolarHBondContact NH1-OE1 3.25Å; R250-E428 IonicContact NH1-OE2 3.8Å; R250-E428 IonicContact NH2-OE1 2.93Å; R250-E428 PolarHBondContact NH2-OE1 2.92Å; F269-E428 WeakPolarHBondContact CE1-O 2.97Å; D424-E428 VanDerWaalsContact O-CA 3.25Å; D424-E428 WeakPolarHBondContact O-CA 3.32Å; D424-E428 PolarHBondContact O-N 3.4Å
429	T	97.3	Very high	91.1	Very high	22 Å²	22	55.8 Å²	55.8	14%	0.135	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	157	-177.7	49	0	0	0	0	112.2	K132 H133 Y423 D424 T427 H431	K132-T429 CarbonylContact O-C 3.55Å; K132-T429 WeakPolarHBondContact O-CA 2.93Å; K132-T429 WeakPolarHBondContact O-CB 3.4Å; H133-T429 HydrophobicContact CB-CG2 4.23Å; Y423-T429 CarbonylContact C-O 3.58Å; Y423-T429 WeakPolarHBondContact CA-O 3.41Å; Y423-T429 WeakPolarHBondContact CD2-O 3.41Å; D424-T429 PolarHBondContact N-O 3.26Å; D424-T429 PolarHBondContact O-N 3.32Å; T427-T429 PolarHBondContact O-N 3.44Å; T427-T429 PolarHBondContact OG1-OG1 2.85Å; T429-H431 WeakPolarHBondContact CB-NE2 3.44Å; T429-H431 PolarHBondContact OG1-NE2 3.06Å
430	V	95.6	Very high	91.4	Very high	4 Å²	4	58 Å²	58	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.3	167.4	173.5	0	0	0	0	109.9	K132 F269 L317 L320 P421 I422 Y423	K132-V430 PolarHBondContact O-N 2.81Å; F269-V430 HydrophobicContact CD1-CG2 4.46Å; F269-V430 HydrophobicContact CE1-CB 4.46Å; F269-V430 HydrophobicContact CE1-CG2 3.76Å; F269-V430 HydrophobicContact CE2-CG2 3.95Å; F269-V430 HydrophobicContact CZ-CB 4.02Å; F269-V430 HydrophobicContact CZ-CG2 3.46Å; F269-V430 VanDerWaalsContact CZ-CG2 3.46Å; L317-V430 HydrophobicContact CD2-CG2 4.19Å; L320-V430 HydrophobicContact CD1-CB 4.11Å; L320-V430 HydrophobicContact CD1-CG1 3.63Å; L320-V430 HydrophobicContact CD1-CG2 3.88Å; P421-V430 HydrophobicContact CB-CG1 3.65Å; I422-V430 WeakPolarHBondContact O-CA 3.32Å; Y423-V430 HydrophobicContact CD2-CG2 4.02Å
431	H	91.7	Very high	91.4	Very high	89 Å²	89	60.9 Å²	60.9	41%	0.412	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	132.1	175.9	-57	-77.3	0	0	0	110.5	I422 T429 K433	I422-H431 PolarHBondContact N-O 3.46Å; I422-H431 PolarHBondContact O-N 2.85Å; T429-H431 WeakPolarHBondContact CB-NE2 3.44Å; T429-H431 PolarHBondContact OG1-NE2 3.06Å; H431-K433 PolarHBondContact O-N 3.44Å
432	M	89.9	Confident	91.4	Very high	57 Å²	57	65 Å²	65	28%	0.281	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	116.7	168.4	-65.4	-61.6	-177.8	0	0	109	Y130 L320 P421	Y130-M432 HydrophobicContact CD1-CE 4.35Å; Y130-M432 HydrophobicContact CD2-CE 4.27Å; Y130-M432 HydrophobicContact CE1-CE 3.82Å; Y130-M432 HydrophobicContact CE2-CE 3.74Å; Y130-M432 HydrophobicContact CE2-CG 4.49Å; Y130-M432 WeakPolarHBondContact OH-CG 3.39Å; L320-M432 HydrophobicContact CB-CE 4.06Å; P421-M432 HydrophobicContact CB-CE 4.04Å; P421-M432 HydrophobicContact CB-SD 3.75Å; P421-M432 HydrophobicContact CG-CE 4.41Å; P421-M432 HydrophobicContact CG-SD 4.23Å
433	K	86.8	Confident	91.4	Very high	52 Å²	52	67.4 Å²	67.4	23%	0.226	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	141.3	176	-64.5	-162.5	-176	-169.5	0	110.6	T419 I420 I422 H431 I438 E441	T419-K433 CarbonylContact C-O 3.5Å; T419-K433 VanDerWaalsContact CA-O 3.24Å; T419-K433 WeakPolarHBondContact CA-O 3.41Å; I420-K433 PolarHBondContact N-O 3.22Å; I420-K433 PolarHBondContact O-N 3.33Å; I422-K433 HydrophobicContact CG1-CB 4.2Å; I422-K433 HydrophobicContact CG1-CD 4.18Å; I422-K433 HydrophobicContact CG1-CG 4.15Å; H431-K433 PolarHBondContact O-N 3.44Å; K433-I438 HydrophobicContact CB-CD1 4Å; K433-I438 HydrophobicContact CB-CG1 3.72Å; K433-I438 HydrophobicContact CD-CG1 4.38Å; K433-E441 IonicContact NZ-OE1 2.83Å; K433-E441 PolarHBondContact NZ-OE1 3.36Å; K433-E441 IonicContact NZ-OE2 2.78Å; K433-E441 PolarHBondContact NZ-OE2 3.37Å
434	S	86.4	Confident	91.2	Very high	33 Å²	33	72 Å²	72	23%	0.231	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	151.7	171.9	71.5	0	0	0	0	110.5	S418 F436 S437 I438	S418-S434 WeakPolarHBondContact O-CA 3.19Å; S434-F436 PolarHBondContact O-N 2.95Å; S434-S437 WeakPolarHBondContact O-CB 3.19Å; S434-S437 PolarHBondContact O-N 3.49Å; S434-S437 VanDerWaalsContact O-N 3.07Å; S434-S437 WeakPolarHBondContact OG-CB 3.41Å; S434-S437 PolarHBondContact OG-N 3.45Å; S434-S437 VanDerWaalsContact OG-N 3.14Å; S434-I438 WeakPolarHBondContact O-CG1 3.4Å; S434-I438 PolarHBondContact O-N 3.31Å
435	R	84	Confident	91.1	Very high	56 Å²	56	74 Å²	74	21%	0.211	36%	0.363	C	S	.	.	H	α-helix	trans	-55.9	-34.4	174.4	-67.9	-179	178.2	-125.8	6.2	112.4	N413 K417 S418 I420 R439	N413-R435 PolarHBondContact O-NH1 2.82Å; N413-R435 VanDerWaalsContact O-NH1 3.15Å; N413-R435 PolarHBondContact O-NH2 3.48Å; K417-R435 PolarHBondContact O-NE 2.97Å; S418-R435 PolarHBondContact O-N 2.84Å; I420-R435 HydrophobicContact CD1-CG 3.95Å; I420-R435 HydrophobicContact CG1-CG 4.41Å; R435-R439 WeakPolarHBondContact O-CB 3.16Å; R435-R439 VanDerWaalsContact O-CG 3.25Å; R435-R439 WeakPolarHBondContact O-CG 3.31Å; R435-R439 PolarHBondContact O-N 3.31Å
436	F	85.3	Confident	91.1	Very high	49 Å²	49	73 Å²	73	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-49.1	175.3	178.8	-97.2	0	0	0	111.8	L104 S434 I438 R439 K440	L104-F436 HydrophobicContact CD2-CZ 4.21Å; S434-F436 PolarHBondContact O-N 2.95Å; F436-I438 VanDerWaalsContact C-N 3.35Å; F436-I438 PolarHBondContact O-N 3.09Å; F436-R439 PolarHBondContact O-N 2.97Å; F436-K440 HydrophobicContact CE1-CD 4.16Å; F436-K440 WeakPolarHBondContact O-CB 3.36Å; F436-K440 PolarHBondContact O-N 2.93Å
437	S	85.8	Confident	91.1	Very high	29 Å²	29	72.8 Å²	72.8	20%	0.203	35%	0.348	C	S	.	.	H	α-helix	trans	-59.1	-45.7	177.7	174.3	0	0	0	0	111.4	S434 R439 K440 E441	S434-S437 WeakPolarHBondContact O-CB 3.19Å; S434-S437 PolarHBondContact O-N 3.49Å; S434-S437 VanDerWaalsContact O-N 3.07Å; S434-S437 WeakPolarHBondContact OG-CB 3.41Å; S434-S437 PolarHBondContact OG-N 3.45Å; S434-S437 VanDerWaalsContact OG-N 3.14Å; S437-R439 PolarHBondContact O-N 3.18Å; S437-K440 PolarHBondContact O-N 3.5Å; S437-E441 WeakPolarHBondContact O-CG 3.44Å; S437-E441 PolarHBondContact O-N 3.11Å
438	I	87.5	Confident	91.1	Very high	30 Å²	30	74.2 Å²	74.2	15%	0.154	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-47.6	177.3	-65.5	165.1	0	0	0	111	I420 I422 K433 S434 F436 K440 E441 L442	I420-I438 HydrophobicContact CB-CD1 3.89Å; I420-I438 HydrophobicContact CD1-CD1 4.21Å; I420-I438 HydrophobicContact CG1-CD1 4.44Å; I422-I438 HydrophobicContact CD1-CD1 3.95Å; I422-I438 HydrophobicContact CD1-CG1 4.4Å; I422-I438 HydrophobicContact CG1-CD1 4.12Å; I422-I438 HydrophobicContact CG1-CG1 4.35Å; K433-I438 HydrophobicContact CB-CD1 4Å; K433-I438 HydrophobicContact CB-CG1 3.72Å; K433-I438 HydrophobicContact CD-CG1 4.38Å; S434-I438 WeakPolarHBondContact O-CG1 3.4Å; S434-I438 PolarHBondContact O-N 3.31Å; F436-I438 VanDerWaalsContact C-N 3.35Å; F436-I438 PolarHBondContact O-N 3.09Å; I438-K440 VanDerWaalsContact C-N 3.32Å; I438-K440 PolarHBondContact O-N 3.15Å; I438-E441 PolarHBondContact O-N 3.46Å; I438-L442 HydrophobicContact CG2-CD1 3.81Å; I438-L442 HydrophobicContact CG2-CG 4.34Å; I438-L442 WeakPolarHBondContact O-CB 3.42Å; I438-L442 WeakPolarHBondContact O-CG 3.24Å; I438-L442 PolarHBondContact O-N 2.9Å
439	R	88.6	Confident	91	Very high	156 Å²	156	77.6 Å²	77.6	59%	0.589	37%	0.366	S	S	*	.	H	α-helix	trans	-59.6	-43.1	177.9	-74.5	172.8	-170.1	166.2	3.1	111.8	R435 F436 S437 L442 L443	R435-R439 WeakPolarHBondContact O-CB 3.16Å; R435-R439 VanDerWaalsContact O-CG 3.25Å; R435-R439 WeakPolarHBondContact O-CG 3.31Å; R435-R439 PolarHBondContact O-N 3.31Å; F436-R439 PolarHBondContact O-N 2.97Å; S437-R439 PolarHBondContact O-N 3.18Å; R439-L442 PolarHBondContact O-N 3.26Å; R439-L443 VanDerWaalsContact O-CB 3.29Å; R439-L443 WeakPolarHBondContact O-CB 2.73Å; R439-L443 WeakPolarHBondContact O-CD1 3.28Å; R439-L443 VanDerWaalsContact O-CG 3.25Å; R439-L443 WeakPolarHBondContact O-CG 3.18Å; R439-L443 PolarHBondContact O-N 3.29Å
440	K	89.8	Confident	90.9	Very high	105 Å²	105	81.6 Å²	81.6	46%	0.457	39%	0.385	S	S	.	.	H	α-helix	trans	-63.7	-43.8	179.4	-173.7	179.2	178.6	-179.9	0	111.5	E107 F436 S437 I438 K444	E107-K440 VanDerWaalsContact CD-NZ 3.33Å; E107-K440 IonicContact OE1-NZ 3.99Å; E107-K440 PolarHBondContact OE1-NZ 2.85Å; E107-K440 IonicContact OE2-NZ 2.96Å; E107-K440 PolarHBondContact OE2-NZ 3.35Å; F436-K440 HydrophobicContact CE1-CD 4.16Å; F436-K440 WeakPolarHBondContact O-CB 3.36Å; F436-K440 PolarHBondContact O-N 2.93Å; S437-K440 PolarHBondContact O-N 3.5Å; I438-K440 VanDerWaalsContact C-N 3.32Å; I438-K440 PolarHBondContact O-N 3.15Å; K440-K444 WeakPolarHBondContact O-CB 3.38Å; K440-K444 PolarHBondContact O-N 3.19Å
441	E	89.4	Confident	90.8	Very high	92 Å²	92	83 Å²	83	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-64.5	-47.1	175.9	-72.7	177	-179.9	0	0	111.9	K433 S437 I438 L443 K444 H445	K433-E441 IonicContact NZ-OE1 2.83Å; K433-E441 PolarHBondContact NZ-OE1 3.36Å; K433-E441 IonicContact NZ-OE2 2.78Å; K433-E441 PolarHBondContact NZ-OE2 3.37Å; S437-E441 WeakPolarHBondContact O-CG 3.44Å; S437-E441 PolarHBondContact O-N 3.11Å; I438-E441 PolarHBondContact O-N 3.46Å; E441-L443 PolarHBondContact O-N 3.3Å; E441-K444 WeakPolarHBondContact O-CB 3.29Å; E441-K444 PolarHBondContact O-N 3.27Å; E441-H445 WeakPolarHBondContact O-CB 3.38Å; E441-H445 PolarHBondContact O-N 3.03Å
442	L	90.6	Very high	90.8	Very high	102 Å²	102	85 Å²	85	53%	0.534	41%	0.41	S	S	.	.	H	α-helix	trans	-60.6	-45.2	176.4	-74.1	171.9	0	0	0	111.8	I438 R439 K444 H445 V446	I438-L442 HydrophobicContact CG2-CD1 3.81Å; I438-L442 HydrophobicContact CG2-CG 4.34Å; I438-L442 WeakPolarHBondContact O-CB 3.42Å; I438-L442 WeakPolarHBondContact O-CG 3.24Å; I438-L442 PolarHBondContact O-N 2.9Å; R439-L442 PolarHBondContact O-N 3.26Å; L442-K444 VanDerWaalsContact C-N 3.31Å; L442-K444 PolarHBondContact O-N 2.9Å; L442-H445 PolarHBondContact O-N 3.44Å; L442-V446 WeakPolarHBondContact O-CB 3.44Å; L442-V446 VanDerWaalsContact O-CG2 3.31Å; L442-V446 WeakPolarHBondContact O-CG2 3.3Å; L442-V446 PolarHBondContact O-N 3.49Å
443	L	93.4	Very high	91	Very high	110 Å²	110	87 Å²	87	58%	0.576	42%	0.421	S	S	*	.	H	α-helix	trans	-60.8	-40.3	176.2	-80.1	163	0	0	0	111.9	R439 E441 K447	R439-L443 VanDerWaalsContact O-CB 3.29Å; R439-L443 WeakPolarHBondContact O-CB 2.73Å; R439-L443 WeakPolarHBondContact O-CD1 3.28Å; R439-L443 VanDerWaalsContact O-CG 3.25Å; R439-L443 WeakPolarHBondContact O-CG 3.18Å; R439-L443 PolarHBondContact O-N 3.29Å; E441-L443 PolarHBondContact O-N 3.3Å; L443-K447 WeakPolarHBondContact O-CB 3.4Å; L443-K447 VanDerWaalsContact O-CG 3.25Å; L443-K447 WeakPolarHBondContact O-CG 3.36Å; L443-K447 PolarHBondContact O-N 3.46Å; L443-K447 VanDerWaalsContact O-N 3.1Å
444	K	93.7	Very high	91.2	Very high	135 Å²	135	88.8 Å²	88.8	59%	0.587	43%	0.433	S	S	*	.	H	α-helix	trans	-64.1	-48	175.8	-176.4	-176.6	172.8	-170.5	0	110.7	K440 E441 L442 K447 E448	K440-K444 WeakPolarHBondContact O-CB 3.38Å; K440-K444 PolarHBondContact O-N 3.19Å; E441-K444 WeakPolarHBondContact O-CB 3.29Å; E441-K444 PolarHBondContact O-N 3.27Å; L442-K444 VanDerWaalsContact C-N 3.31Å; L442-K444 PolarHBondContact O-N 2.9Å; K444-K447 WeakPolarHBondContact O-CB 3.39Å; K444-K447 PolarHBondContact O-N 3.4Å; K444-E448 WeakPolarHBondContact CE-OE1 3.06Å; K444-E448 IonicContact NZ-OE1 3.32Å; K444-E448 WeakPolarHBondContact O-CG 3.45Å; K444-E448 PolarHBondContact O-N 2.79Å
445	H	92.8	Very high	91.5	Very high	97 Å²	97	90.8 Å²	90.8	45%	0.449	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-47.6	-179.8	-173.5	53.9	0	0	0	112.2	E441 L442 K447 E448 E449	E441-H445 WeakPolarHBondContact O-CB 3.38Å; E441-H445 PolarHBondContact O-N 3.03Å; L442-H445 PolarHBondContact O-N 3.44Å; H445-K447 VanDerWaalsContact C-N 3.29Å; H445-K447 PolarHBondContact O-N 2.96Å; H445-E448 WeakPolarHBondContact O-CB 3.44Å; H445-E448 PolarHBondContact O-N 2.97Å; H445-E448 VanDerWaalsContact O-N 3.08Å; H445-E449 IonicContact CE1-OE1 2.93Å; H445-E449 IonicContact NE2-OE1 3.59Å; H445-E449 PolarHBondContact NE2-OE1 3.03Å; H445-E449 PolarHBondContact O-N 2.86Å
446	V	96	Very high	91.8	Very high	69 Å²	69	93.9 Å²	93.9	42%	0.418	47%	0.465	S	S	.	.	H	α-helix	trans	-60.9	-38	176.7	170.8	0	0	0	0	111.5	L442 E449 I450	L442-V446 WeakPolarHBondContact O-CB 3.44Å; L442-V446 VanDerWaalsContact O-CG2 3.31Å; L442-V446 WeakPolarHBondContact O-CG2 3.3Å; L442-V446 PolarHBondContact O-N 3.49Å; V446-E449 PolarHBondContact O-N 3.48Å; V446-I450 HydrophobicContact CG1-CD1 3.77Å; V446-I450 HydrophobicContact CG1-CG1 4.36Å; V446-I450 WeakPolarHBondContact O-CB 3.34Å; V446-I450 VanDerWaalsContact O-CG1 3.22Å; V446-I450 WeakPolarHBondContact O-CG1 3.39Å; V446-I450 PolarHBondContact O-N 3.48Å
447	K	95	Very high	92	Very high	149 Å²	149	96.6 Å²	96.6	65%	0.648	48%	0.481	S	S	*	.	H	α-helix	trans	-63.8	-40.4	174.2	-77.7	176.1	178.9	-173.9	0	112.2	L443 K444 H445 I450 G451	L443-K447 WeakPolarHBondContact O-CB 3.4Å; L443-K447 VanDerWaalsContact O-CG 3.25Å; L443-K447 WeakPolarHBondContact O-CG 3.36Å; L443-K447 PolarHBondContact O-N 3.46Å; L443-K447 VanDerWaalsContact O-N 3.1Å; K444-K447 WeakPolarHBondContact O-CB 3.39Å; K444-K447 PolarHBondContact O-N 3.4Å; H445-K447 VanDerWaalsContact C-N 3.29Å; H445-K447 PolarHBondContact O-N 2.96Å; K447-I450 PolarHBondContact O-N 3.21Å; K447-G451 PolarHBondContact O-N 2.8Å
448	E	95.6	Very high	91.9	Very high	96 Å²	96	101 Å²	101	45%	0.449	50%	0.502	S	S	.	.	H	α-helix	trans	-64.8	-43.8	176.1	-71	169.5	179.4	0	0	111.3	K444 H445 G451 Q452	K444-E448 WeakPolarHBondContact CE-OE1 3.06Å; K444-E448 IonicContact NZ-OE1 3.32Å; K444-E448 WeakPolarHBondContact O-CG 3.45Å; K444-E448 PolarHBondContact O-N 2.79Å; H445-E448 WeakPolarHBondContact O-CB 3.44Å; H445-E448 PolarHBondContact O-N 2.97Å; H445-E448 VanDerWaalsContact O-N 3.08Å; E448-G451 PolarHBondContact O-N 2.49Å; E448-Q452 WeakPolarHBondContact O-CG 3.2Å; E448-Q452 PolarHBondContact O-N 3.3Å
449	E	94.9	Very high	91.4	Very high	98 Å²	98	107.2 Å²	107.2	46%	0.458	53%	0.53	S	S	.	.	H	α-helix	trans	-62.8	-42.8	175.3	-69.5	-172.4	149.1	0	0	112.3	H445 V446 G451 Q452 L453	H445-E449 IonicContact CE1-OE1 2.93Å; H445-E449 IonicContact NE2-OE1 3.59Å; H445-E449 PolarHBondContact NE2-OE1 3.03Å; H445-E449 PolarHBondContact O-N 2.86Å; V446-E449 PolarHBondContact O-N 3.48Å; E449-G451 VanDerWaalsContact C-N 3.32Å; E449-G451 PolarHBondContact O-N 3.2Å; E449-Q452 PolarHBondContact O-N 3.34Å; E449-L453 PolarHBondContact O-N 2.73Å
450	I	95.3	Very high	90.2	Very high	105 Å²	105	101.5 Å²	101.5	54%	0.538	51%	0.514	S	S	.	.	H	α-helix	trans	-61.9	-41.1	174.6	-70.6	168.3	0	0	0	110.8	V446 K447 Q452 L453 D454	V446-I450 HydrophobicContact CG1-CD1 3.77Å; V446-I450 HydrophobicContact CG1-CG1 4.36Å; V446-I450 WeakPolarHBondContact O-CB 3.34Å; V446-I450 VanDerWaalsContact O-CG1 3.22Å; V446-I450 WeakPolarHBondContact O-CG1 3.39Å; V446-I450 PolarHBondContact O-N 3.48Å; K447-I450 PolarHBondContact O-N 3.21Å; I450-Q452 VanDerWaalsContact C-N 3.35Å; I450-L453 WeakPolarHBondContact O-CB 3.4Å; I450-L453 PolarHBondContact O-N 3.06Å; I450-D454 PolarHBondContact O-N 3.08Å
451	G	94	Very high	88.9	Confident	34 Å²	34	104.7 Å²	104.7	35%	0.351	54%	0.536	S	S	.	.	H	α-helix	trans	-64	-37.7	175.7	0	0	0	0	0	113.2	K447 E448 E449 T455	K447-G451 PolarHBondContact O-N 2.8Å; E448-G451 PolarHBondContact O-N 2.49Å; E449-G451 VanDerWaalsContact C-N 3.32Å; E449-G451 PolarHBondContact O-N 3.2Å; G451-T455 PolarHBondContact O-N 2.85Å; G451-T455 PolarHBondContact O-OG1 3.22Å
452	Q	92.6	Very high	87.4	Confident	130 Å²	130	110 Å²	110	61%	0.607	55%	0.554	S	S	*	*	H	α-helix	trans	-65.3	-42.3	172.9	-71.1	179.7	25.4	0	0	111.6	E448 E449 I450 T455 L456	E448-Q452 WeakPolarHBondContact O-CG 3.2Å; E448-Q452 PolarHBondContact O-N 3.3Å; E449-Q452 PolarHBondContact O-N 3.34Å; I450-Q452 VanDerWaalsContact C-N 3.35Å; Q452-T455 WeakPolarHBondContact O-CB 3.35Å; Q452-T455 PolarHBondContact O-N 2.93Å; Q452-L456 WeakPolarHBondContact O-CG 3.44Å; Q452-L456 PolarHBondContact O-N 3.34Å
453	L	93	Very high	85.5	Confident	99 Å²	99	111.3 Å²	111.3	52%	0.518	57%	0.566	S	S	.	*	H	α-helix	trans	-60.5	-45.5	176.2	-179.3	62.2	0	0	0	111.7	E449 I450 T455 L456 L457	E449-L453 PolarHBondContact O-N 2.73Å; I450-L453 WeakPolarHBondContact O-CB 3.4Å; I450-L453 PolarHBondContact O-N 3.06Å; L453-T455 VanDerWaalsContact C-N 3.34Å; L453-T455 PolarHBondContact O-N 3.41Å; L453-L456 PolarHBondContact O-N 2.78Å; L453-L457 HydrophobicContact CD1-CD1 4.41Å; L453-L457 HydrophobicContact CD1-CG 4.44Å; L453-L457 HydrophobicContact CG-CD1 4.15Å; L453-L457 WeakPolarHBondContact O-CG 3.31Å; L453-L457 PolarHBondContact O-N 2.88Å
454	D	92.1	Very high	83.6	Confident	90 Å²	90	113.8 Å²	113.8	48%	0.481	58%	0.579	S	S	.	*	H	α-helix	trans	-61.8	-41.5	176.8	-175	55.2	0	0	0	112.1	I450 L456 L457 N458	I450-D454 PolarHBondContact O-N 3.08Å; D454-L456 VanDerWaalsContact C-N 3.32Å; D454-L456 PolarHBondContact O-N 3.02Å; D454-L457 PolarHBondContact O-N 3.1Å; D454-N458 VanDerWaalsContact CG-ND2 3.3Å; D454-N458 WeakPolarHBondContact O-CB 3.49Å; D454-N458 PolarHBondContact O-N 3.21Å; D454-N458 PolarHBondContact O-ND2 3.02Å; D454-N458 VanDerWaalsContact O-ND2 3.13Å; D454-N458 PolarHBondContact OD1-ND2 3.12Å; D454-N458 VanDerWaalsContact OD1-ND2 3.08Å; D454-N458 PolarHBondContact OD2-ND2 2.84Å
455	T	91.3	Very high	81.6	Confident	75 Å²	75	116.7 Å²	116.7	46%	0.46	61%	0.612	S	S	.	*	H	α-helix	trans	-59.6	-43.3	174.5	-56.7	0	0	0	0	111.5	G451 Q452 L453 H459	G451-T455 PolarHBondContact O-N 2.85Å; G451-T455 PolarHBondContact O-OG1 3.22Å; Q452-T455 WeakPolarHBondContact O-CB 3.35Å; Q452-T455 PolarHBondContact O-N 2.93Å; L453-T455 VanDerWaalsContact C-N 3.34Å; L453-T455 PolarHBondContact O-N 3.41Å; T455-H459 PolarHBondContact O-CD2 2.83Å; T455-H459 VanDerWaalsContact O-CD2 3.24Å; T455-H459 PolarHBondContact O-N 2.67Å
456	L	90.8	Very high	81	Confident	122 Å²	122	117.7 Å²	117.7	64%	0.639	62%	0.62	S	S	*	*	H	α-helix	trans	-65.4	-39.2	177.1	-71.7	170.9	0	0	0	112.1	Q452 L453 D454 S460	Q452-L456 WeakPolarHBondContact O-CG 3.44Å; Q452-L456 PolarHBondContact O-N 3.34Å; L453-L456 PolarHBondContact O-N 2.78Å; D454-L456 VanDerWaalsContact C-N 3.32Å; D454-L456 PolarHBondContact O-N 3.02Å; L456-S460 WeakPolarHBondContact O-CB 3.37Å; L456-S460 PolarHBondContact O-N 2.74Å; L456-S460 PolarHBondContact O-OG 3.42Å
457	L	89.5	Confident	80.2	Confident	106 Å²	106	120.3 Å²	120.3	56%	0.555	63%	0.631	S	S	*	*	H	α-helix	trans	-69.9	-37.8	178.5	-70	172.9	0	0	0	112.7	L453 D454 S460	L453-L457 HydrophobicContact CD1-CD1 4.41Å; L453-L457 HydrophobicContact CD1-CG 4.44Å; L453-L457 HydrophobicContact CG-CD1 4.15Å; L453-L457 WeakPolarHBondContact O-CG 3.31Å; L453-L457 PolarHBondContact O-N 2.88Å; D454-L457 PolarHBondContact O-N 3.1Å; L457-S460 WeakPolarHBondContact CA-OG 3.38Å; L457-S460 PolarHBondContact O-OG 2.85Å
458	N	84.4	Confident	79.4	Confident	120 Å²	120	118.7 Å²	118.7	64%	0.642	63%	0.63	S	S	*	*	H	α-helix	trans	-77.9	-24.9	-179	-70.5	-40.5	0	0	0	113.6	D454	D454-N458 VanDerWaalsContact CG-ND2 3.3Å; D454-N458 WeakPolarHBondContact O-CB 3.49Å; D454-N458 PolarHBondContact O-N 3.21Å; D454-N458 PolarHBondContact O-ND2 3.02Å; D454-N458 VanDerWaalsContact O-ND2 3.13Å; D454-N458 PolarHBondContact OD1-ND2 3.12Å; D454-N458 VanDerWaalsContact OD1-ND2 3.08Å; D454-N458 PolarHBondContact OD2-ND2 2.84Å
459	H	75.7	Confident	78.4	Confident	161 Å²	161	120 Å²	120	75%	0.745	64%	0.64	S	S	*	*	H	α-helix	trans	-88	-12.5	174.3	-77.5	-58.8	0	0	0	114	T455	T455-H459 PolarHBondContact O-CD2 2.83Å; T455-H459 VanDerWaalsContact O-CD2 3.24Å; T455-H459 PolarHBondContact O-N 2.67Å
460	S	64.6	Low	77.4	Confident	37 Å²	37	121.4 Å²	121.4	26%	0.259	65%	0.652	S	S	.	*			trans	-88.9	113.3	177.4	39.8	0	0	0	0	110.5	L456 L457 Y462	L456-S460 WeakPolarHBondContact O-CB 3.37Å; L456-S460 PolarHBondContact O-N 2.74Å; L456-S460 PolarHBondContact O-OG 3.42Å; L457-S460 WeakPolarHBondContact CA-OG 3.38Å; L457-S460 PolarHBondContact O-OG 2.85Å; S460-Y462 PolarHBondContact O-N 3.18Å
461	N	61.4	Low	76.2	Confident	171 Å²	171	122.5 Å²	122.5	91%	0.914	66%	0.659	S	S	*	*			trans	-68	46.1	155.1	-80.9	-30.6	0	0	0	110	T463	N461-T463 PolarHBondContact O-N 2.84Å
462	Y	57.9	Low	74.9	Confident	205 Å²	205	128.8 Å²	128.8	80%	0.804	68%	0.681	S	S	*	*			trans	-86.6	92.7	177.6	-92.2	-108.9	0	0	0	108.3	S460 L464	S460-Y462 PolarHBondContact O-N 3.18Å; Y462-L464 PolarHBondContact O-N 3.28Å
463	T	51.8	Low	73.6	Confident	129 Å²	129	128.7 Å²	128.7	79%	0.791	69%	0.687	S	S	*	*			trans	-63.4	116.6	150.1	35.2	0	0	0	0	107.5	N461	N461-T463 PolarHBondContact O-N 2.84Å
464	L	53	Low	71.9	Confident	162 Å²	162	131.2 Å²	131.2	85%	0.848	70%	0.701	S	S	*	*			trans	-51	135.3	166.1	-78.8	157.6	0	0	0	108.7	Y462	Y462-L464 PolarHBondContact O-N 3.28Å
465	P	50.9	Low	70.1	Confident	196 Å²	196	134.9 Å²	134.9	100%	1.273	72%	0.721	S	S	*	*			trans	-62.4	0	179.4	25.6	-32.8	0	0	0	113

Retrieved 465 of 465 residues in 156.2 ms (Link to these results)

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