A0A087YMJ4_POEFO Loading...

Trimethyllysine dioxygenase, mitochondrial

Converts trimethyllysine (TML) into hydroxytrimethyllysine (HTML).

AlphaFold DB , UniProt , Accession A0A087YMJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	32.2	Very low	229 Å²	229	143.3 Å²	143.3	100%	1.128	84%	0.844	S	S	*	*				0	112.2	0	-60.4	173.1	-175.2	0	0	105.5
2	F	27.3	Very low	32.2	Very low	203 Å²	203	139 Å²	139	89%	0.89	84%	0.837	S	S	*	*				54.4	132.6	82.7	-64.8	-64.6	0	0	0	111.3
3	S	28.5	Very low	32.1	Very low	104 Å²	104	143.6 Å²	143.6	73%	0.727	85%	0.848	S	S	*	*			cis	-179.9	160.1	1.2	53.6	0	0	0	0	107.7
4	V	31.1	Very low	32	Very low	144 Å²	144	148.7 Å²	148.7	87%	0.873	85%	0.845	S	S	*	*			cis	-163.7	163.2	5.8	99	0	0	0	0	111.7
5	L	35.5	Very low	32	Very low	151 Å²	151	148.9 Å²	148.9	79%	0.791	84%	0.836	S	S	*	*			trans	-78.3	167.2	167.9	-100.5	167	0	0	0	110.7
6	P	46	Very low	31.8	Very low	103 Å²	103	153.2 Å²	153.2	67%	0.669	84%	0.844	S	S	*	*				-167.6	166.5	64.8	44.5	-21.5	0	0	0	121.7
7	R	33.1	Very low	31.6	Very low	241 Å²	241	153.9 Å²	153.9	91%	0.909	84%	0.839	S	S	*	*			trans	53.4	158.5	136.6	-68.9	175.6	172.5	-177.8	-3.5	120.6
8	A	31.6	Very low	31.4	Very low	86 Å²	86	153.4 Å²	153.4	71%	0.711	84%	0.835	S	S	*	*			cis	-144.3	150.9	20.1	0	0	0	0	0	112.1
9	A	29.8	Very low	32	Very low	108 Å²	108	150.9 Å²	150.9	89%	0.893	83%	0.827	S	S	*	*				66.4	139.8	97.2	0	0	0	0	0	115.2
10	G	26.2	Very low	31.8	Very low	74 Å²	74	153.3 Å²	153.3	76%	0.763	83%	0.829	S	S	*	*			cis	-166	168.6	-1.7	0	0	0	0	0	108.8
11	S	28.9	Very low	32.1	Very low	133 Å²	133	150.7 Å²	150.7	93%	0.93	83%	0.828	S	S	*	*				176.3	153.8	95.8	-177.5	0	0	0	0	109.4
12	A	32.3	Very low	31.7	Very low	92 Å²	92	150.9 Å²	150.9	76%	0.76	82%	0.817	S	S	*	*			trans	-123.7	145.4	174.6	0	0	0	0	0	110.4
13	M	29.9	Very low	32	Very low	199 Å²	199	146.9 Å²	146.9	98%	0.98	81%	0.814	S	S	*	*			trans	-142.9	154.5	158.8	-104.3	-172.2	178.5	0	0	111.7
14	R	31.6	Very low	32	Very low	215 Å²	215	150.4 Å²	150.4	81%	0.811	82%	0.819	S	S	*	*			trans	-106.2	156.1	-165.3	-77.9	178.5	165.2	-155.5	3	112.6
15	Q	31.3	Very low	32	Very low	152 Å²	152	148.9 Å²	148.9	71%	0.71	81%	0.812	S	S	*	*			trans	52.2	131.7	142.9	-69	171.2	-67.1	0	0	119.7
16	F	28.3	Very low	31.8	Very low	217 Å²	217	153.8 Å²	153.8	95%	0.952	82%	0.82	S	S	*	*				-161.9	164.7	115.4	-105.9	-70.9	0	0	0	110.9
17	Q	29	Very low	31	Very low	165 Å²	165	154.5 Å²	154.5	77%	0.771	82%	0.823	S	S	*	*			trans	-123.7	144.7	-169.1	-114.8	-177.4	-27.7	0	0	111.9
18	L	27.7	Very low	31	Very low	146 Å²	146	148.1 Å²	148.1	76%	0.764	82%	0.815	S	S	*	*			trans	67.4	173.2	152.2	-59.8	168.6	0	0	0	116.2
19	P	42.6	Very low	31	Very low	105 Å²	105	151.3 Å²	151.3	68%	0.682	82%	0.82	S	S	*	*				-129.9	157.1	-90.3	33.5	-13.8	0	0	0	113.6
20	F	28.3	Very low	31.1	Very low	199 Å²	199	153.3 Å²	153.3	87%	0.873	81%	0.814	S	S	*	*			trans	-133.4	112.4	167.2	-103.3	-86.2	0	0	0	112.4
21	A	37.8	Very low	31.2	Very low	98 Å²	98	157.8 Å²	157.8	81%	0.81	82%	0.816	S	S	*	*			trans	-67.9	133.9	160.7	0	0	0	0	0	109
22	R	29	Very low	31.3	Very low	233 Å²	233	156.1 Å²	156.1	88%	0.879	80%	0.799	S	S	*	*			trans	-121.2	119.4	159.8	-78.2	-171.8	173.3	-172.7	-1.4	108.3	E24	R22-E24 PolarHBondContact O-N 2.82Å
23	S	33.2	Very low	31.2	Very low	120 Å²	120	162.3 Å²	162.3	84%	0.839	80%	0.803	S	S	*	*			trans	-72.4	111.6	170.1	50.2	0	0	0	0	109.3
24	E	29.9	Very low	31.6	Very low	177 Å²	177	161.6 Å²	161.6	83%	0.827	80%	0.795	S	S	*	*			trans	-83.3	142	162.5	-67.1	-157.4	156	0	0	110.2	R22 R26	R22-E24 PolarHBondContact O-N 2.82Å; E24-R26 PolarHBondContact O-N 3.48Å
25	P	29.4	Very low	32.4	Very low	113 Å²	113	155.7 Å²	155.7	73%	0.734	79%	0.792	S	S	*	*			trans	-70.3	132.5	-178.6	28.8	-33.7	0	0	0	110.5	T27	P25-T27 VanDerWaalsContact C-N 3.31Å; P25-T27 PolarHBondContact O-N 2.86Å
26	R	31.6	Very low	33.7	Very low	253 Å²	253	150.6 Å²	150.6	96%	0.955	78%	0.776	S	S	*	*			trans	-66.7	88.3	168.5	-76.5	-177.9	171.7	-179	-2.7	110.1	E24 S28	E24-R26 PolarHBondContact O-N 3.48Å; R26-S28 PolarHBondContact O-N 3.37Å
27	T	30	Very low	35.9	Very low	119 Å²	119	145.3 Å²	145.3	73%	0.73	77%	0.765	S	S	*	*			trans	-71	103.1	156.8	34.6	0	0	0	0	108.1	P25 L29	P25-T27 VanDerWaalsContact C-N 3.31Å; P25-T27 PolarHBondContact O-N 2.86Å; T27-L29 PolarHBondContact O-N 2.8Å
28	S	33.1	Very low	38.8	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	74%	0.735	S	S	*	*			trans	-68.9	85.8	168.9	58	0	0	0	0	109.1	R26 L30	R26-S28 PolarHBondContact O-N 3.37Å; S28-L30 VanDerWaalsContact C-N 3.32Å; S28-L30 PolarHBondContact O-N 3.05Å
29	L	30.8	Very low	41.8	Very low	154 Å²	154	135.2 Å²	135.2	81%	0.806	72%	0.723	S	S	*	*			trans	-62.6	100.1	161.1	-77.2	168.7	0	0	0	107.3	T27 Q31	T27-L29 PolarHBondContact O-N 2.8Å; L29-Q31 PolarHBondContact O-N 2.93Å
30	L	31.5	Very low	44.3	Very low	150 Å²	150	132.7 Å²	132.7	79%	0.785	70%	0.703	S	S	*	*			trans	-55.9	97.2	155.8	-91.3	126.6	0	0	0	106.8	S28 V32	S28-L30 VanDerWaalsContact C-N 3.32Å; S28-L30 PolarHBondContact O-N 3.05Å; L30-V32 PolarHBondContact O-N 2.91Å
31	Q	29	Very low	47.5	Very low	168 Å²	168	130.3 Å²	130.3	79%	0.785	69%	0.689	S	S	*	*			trans	-65.5	85.4	159.3	-88.4	-170.4	-18.3	0	0	107.2	L29 R33	L29-Q31 PolarHBondContact O-N 2.93Å; Q31-R33 PolarHBondContact O-N 3.03Å
32	V	30.2	Very low	50.1	Low	97 Å²	97	130.1 Å²	130.1	59%	0.588	67%	0.674	S	S	*	*			trans	-60.5	95.7	155.2	179.9	0	0	0	0	105.1	L30 F34	L30-V32 PolarHBondContact O-N 2.91Å; V32-F34 VanDerWaalsContact C-N 3.26Å; V32-F34 PolarHBondContact O-N 2.94Å
33	R	31.1	Very low	53.2	Low	223 Å²	223	121 Å²	121	84%	0.842	64%	0.642	S	S	*	*			trans	-62.2	98.4	163.7	-73.8	-175.3	175.4	-169.1	-2.3	105.6	Q31 A35	Q31-R33 PolarHBondContact O-N 3.03Å; R33-A35 PolarHBondContact O-N 2.98Å; R33-A35 VanDerWaalsContact O-N 3.11Å
34	F	38.7	Very low	56	Low	184 Å²	184	122.1 Å²	122.1	81%	0.807	63%	0.634	S	S	*	*			trans	-53.2	120.5	162.5	-75.6	-89.1	0	0	0	106.3	V32 A36	V32-F34 VanDerWaalsContact C-N 3.26Å; V32-F34 PolarHBondContact O-N 2.94Å; F34-A36 PolarHBondContact O-N 3.19Å
35	A	48.3	Very low	59	Low	91 Å²	91	118.7 Å²	118.7	75%	0.752	62%	0.622	S	S	*	*			trans	-53.4	130.5	172.1	0	0	0	0	0	107.4	R33 S37	R33-A35 PolarHBondContact O-N 2.98Å; R33-A35 VanDerWaalsContact O-N 3.11Å; A35-S37 PolarHBondContact O-N 2.93Å
36	A	57.4	Low	62.2	Low	44 Å²	44	113.9 Å²	113.9	36%	0.364	59%	0.59	S	S	.	*			trans	-58.8	105.7	180	0	0	0	0	0	108.1	F34 A38 Y51 E52	F34-A36 PolarHBondContact O-N 3.19Å; A36-A38 PolarHBondContact O-N 3.4Å; A36-Y51 HydrophobicContact CB-CD2 4.42Å; A36-Y51 HydrophobicContact CB-CE2 3.71Å; A36-E52 HydrophobicContact CB-CG 3.97Å
37	S	76.1	Confident	65.3	Low	106 Å²	106	101.8 Å²	101.8	74%	0.741	55%	0.545	S	S	*	.			trans	-70.5	101.3	-170.8	-173.4	0	0	0	0	109	A35	A35-S37 PolarHBondContact O-N 2.93Å
38	A	88.4	Confident	68.5	Low	16 Å²	16	97.9 Å²	97.9	13%	0.132	52%	0.518	C	S	.	.			trans	-74.4	137.2	171.3	0	0	0	0	0	109.9	A36 S50 Y51 V98 L117	A36-A38 PolarHBondContact O-N 3.4Å; A38-S50 WeakPolarHBondContact CA-O 3.33Å; A38-Y51 HydrophobicContact CB-CD2 4.23Å; A38-V98 HydrophobicContact CB-CG1 4.41Å; A38-V98 HydrophobicContact CB-CG2 4.15Å; A38-L117 HydrophobicContact CB-CD1 3.69Å; A38-L117 HydrophobicContact CB-CD2 3.71Å; A38-L117 HydrophobicContact CB-CG 4.36Å
39	T	92.3	Very high	71.4	Confident	84 Å²	84	92.9 Å²	92.9	52%	0.515	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	140.1	170	62.5	0	0	0	0	110.1	V49 S50	T39-V49 WeakPolarHBondContact O-CA 3.38Å; T39-S50 PolarHBondContact N-O 3.44Å; T39-S50 PolarHBondContact O-N 3.48Å; T39-S50 WeakPolarHBondContact OG1-CB 3.45Å
40	L	94.6	Very high	74.4	Confident	51 Å²	51	87.1 Å²	87.1	27%	0.267	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.7	177.2	-58.6	-174.3	0	0	0	109.8	L47 V49 V98 L103	L40-L47 HydrophobicContact CB-CD1 4.45Å; L40-L47 HydrophobicContact CD2-CD2 4.42Å; L40-V49 HydrophobicContact CD2-CB 4.36Å; L40-V49 HydrophobicContact CD2-CG1 4.05Å; L40-V49 HydrophobicContact CD2-CG2 3.84Å; L40-V98 HydrophobicContact CD1-CG2 3.79Å; L40-V98 HydrophobicContact CD2-CG2 3.88Å; L40-V98 HydrophobicContact CG-CG2 3.73Å; L40-L103 HydrophobicContact CD1-CD1 3.8Å; L40-L103 HydrophobicContact CD2-CD1 3.89Å
41	R	94.6	Very high	77.3	Confident	149 Å²	149	82 Å²	82	56%	0.562	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	110.9	167.9	-177.6	-175.5	-175.4	-168.4	0.8	109.1	L43 E48	R41-L43 HydrophobicContact CG-CD2 3.88Å; R41-L43 HydrophobicContact CG-CG 4.42Å; R41-L43 PolarHBondContact O-N 3.31Å; R41-E48 HydrophobicContact CB-CB 4.22Å; R41-E48 WeakPolarHBondContact CD-OE1 3.4Å; R41-E48 PolarHBondContact N-O 3.05Å; R41-E48 IonicContact NH1-OE1 2.7Å; R41-E48 PolarHBondContact NH1-OE1 3.2Å; R41-E48 PolarHBondContact O-N 2.9Å
42	L	93.3	Very high	80.1	Confident	95 Å²	95	80.8 Å²	80.8	50%	0.497	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	116.4	174.7	-157	73.5	0	0	0	108.4	L47 Y60 P93	L42-L47 HydrophobicContact CD1-CD1 3.93Å; L42-Y60 HydrophobicContact CD1-CE1 3.8Å; L42-Y60 WeakPolarHBondContact CD1-OH 3.47Å; L42-Y60 VanDerWaalsContact CG-OH 3.29Å; L42-Y60 WeakPolarHBondContact CG-OH 3.31Å; L42-P93 HydrophobicContact CD1-CG 3.9Å
43	L	94.3	Very high	82.7	Confident	42 Å²	42	79.3 Å²	79.3	22%	0.22	43%	0.425	C	S	.	.			trans	-106.1	178	173.6	-55.7	175.5	0	0	0	109.7	R41 C46 E48 Y60	R41-L43 HydrophobicContact CG-CD2 3.88Å; R41-L43 HydrophobicContact CG-CG 4.42Å; R41-L43 PolarHBondContact O-N 3.31Å; L43-C46 CarbonylContact C-O 3.4Å; L43-C46 WeakPolarHBondContact CA-O 3.45Å; L43-C46 VanDerWaalsContact CB-O 3.24Å; L43-C46 WeakPolarHBondContact CB-O 3.44Å; L43-C46 PolarHBondContact N-O 2.86Å; L43-E48 HydrophobicContact CD1-CB 4.04Å; L43-E48 HydrophobicContact CG-CB 4.48Å; L43-Y60 PolarHBondContact N-OH 3.31Å; L43-Y60 PolarHBondContact O-OH 3.02Å
44	E	91.6	Very high	85.4	Confident	143 Å²	143	71.9 Å²	71.9	67%	0.668	41%	0.405	S	S	*	.	S	Bend	trans	-67.2	-39.7	-175.3	-170.4	170.4	-174.7	0	0	113	R92	E44-R92 PolarHBondContact O-NE 3.37Å; E44-R92 PolarHBondContact O-NH2 2.94Å; E44-R92 IonicContact OE1-NH2 3.45Å
45	D	92.7	Very high	87.9	Confident	105 Å²	105	66.9 Å²	66.9	56%	0.561	39%	0.39	S	S	*	.	S	Bend	trans	-113.6	-14.2	-172	63.7	-23	0	0	0	114	N59	D45-N59 PolarHBondContact O-ND2 3.44Å; D45-N59 VanDerWaalsContact O-ND2 3.16Å
46	C	96.3	Very high	90.2	Very high	11 Å²	11	62.6 Å²	62.6	7%	0.074	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	161.7	-176	61.2	0	0	0	0	113.3	L43 F58 Y60	L43-C46 CarbonylContact C-O 3.4Å; L43-C46 WeakPolarHBondContact CA-O 3.45Å; L43-C46 VanDerWaalsContact CB-O 3.24Å; L43-C46 WeakPolarHBondContact CB-O 3.44Å; L43-C46 PolarHBondContact N-O 2.86Å; C46-F58 CarbonylContact C-O 3.4Å; C46-F58 WeakPolarHBondContact CA-O 3.27Å; C46-F58 WeakPolarHBondContact CB-O 3.26Å; C46-Y60 PolarHBondContact O-OH 3.2Å
47	L	96.9	Very high	92	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.8	164.4	-177	70.3	0	0	0	109.1	L40 L42 V49 F58 Y60 L63 L103 L105	L40-L47 HydrophobicContact CB-CD1 4.45Å; L40-L47 HydrophobicContact CD2-CD2 4.42Å; L42-L47 HydrophobicContact CD1-CD1 3.93Å; L47-V49 HydrophobicContact CD2-CG2 3.67Å; L47-V49 HydrophobicContact CG-CG2 3.8Å; L47-F58 PolarHBondContact N-O 2.77Å; L47-F58 PolarHBondContact O-N 2.9Å; L47-Y60 HydrophobicContact CB-CE1 3.93Å; L47-L63 HydrophobicContact CB-CD1 4.15Å; L47-L63 HydrophobicContact CD2-CD1 4.38Å; L47-L103 HydrophobicContact CD2-CD1 3.68Å; L47-L103 HydrophobicContact CD2-CD2 3.47Å; L47-L103 VanDerWaalsContact CD2-CD2 3.47Å; L47-L103 HydrophobicContact CD2-CG 4.23Å; L47-L105 HydrophobicContact CD2-CD2 4.25Å
48	E	96.4	Very high	93	Very high	37 Å²	37	62.9 Å²	62.9	17%	0.173	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	121.7	168.7	-177.7	169.9	86.1	0	0	108.6	R41 L43 M56 R57	R41-E48 HydrophobicContact CB-CB 4.22Å; R41-E48 WeakPolarHBondContact CD-OE1 3.4Å; R41-E48 PolarHBondContact N-O 3.05Å; R41-E48 IonicContact NH1-OE1 2.7Å; R41-E48 PolarHBondContact NH1-OE1 3.2Å; R41-E48 PolarHBondContact O-N 2.9Å; L43-E48 HydrophobicContact CD1-CB 4.04Å; L43-E48 HydrophobicContact CG-CB 4.48Å; E48-M56 WeakPolarHBondContact CA-O 3.32Å; E48-R57 HydrophobicContact CB-CG 4.31Å; E48-R57 HydrophobicContact CG-CG 4.35Å; E48-R57 IonicContact OE2-CZ 3.56Å; E48-R57 VanDerWaalsContact OE2-CZ 3.23Å; E48-R57 IonicContact OE2-NE 3.07Å; E48-R57 PolarHBondContact OE2-NE 3.47Å; E48-R57 IonicContact OE2-NH2 2.94Å; E48-R57 PolarHBondContact OE2-NH2 3.23Å
49	V	95.6	Very high	93.4	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	119.5	179.7	-176.2	0	0	0	0	107.8	T39 L40 L47 M56 F58 L117	T39-V49 WeakPolarHBondContact O-CA 3.38Å; L40-V49 HydrophobicContact CD2-CB 4.36Å; L40-V49 HydrophobicContact CD2-CG1 4.05Å; L40-V49 HydrophobicContact CD2-CG2 3.84Å; L47-V49 HydrophobicContact CD2-CG2 3.67Å; L47-V49 HydrophobicContact CG-CG2 3.8Å; V49-M56 HydrophobicContact CB-CE 4.38Å; V49-M56 HydrophobicContact CG1-CE 4.22Å; V49-M56 PolarHBondContact N-O 3.45Å; V49-M56 PolarHBondContact O-N 2.91Å; V49-F58 HydrophobicContact CB-CD2 4.35Å; V49-F58 HydrophobicContact CB-CE2 4.13Å; V49-F58 HydrophobicContact CG2-CD2 3.92Å; V49-F58 HydrophobicContact CG2-CE2 4.13Å; V49-L117 HydrophobicContact CG1-CD2 4.08Å
50	S	93.8	Very high	93.7	Very high	33 Å²	33	61.9 Å²	61.9	23%	0.231	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.1	168.7	-167.7	0	0	0	0	109.3	A38 T39 T54	A38-S50 WeakPolarHBondContact CA-O 3.33Å; T39-S50 PolarHBondContact N-O 3.44Å; T39-S50 PolarHBondContact O-N 3.48Å; T39-S50 WeakPolarHBondContact OG1-CB 3.45Å; S50-T54 WeakPolarHBondContact CA-O 3.38Å
51	Y	91.7	Very high	93.8	Very high	43 Å²	43	60.6 Å²	60.6	17%	0.169	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	132.6	177	-179.3	-106.9	0	0	0	109.7	A36 A38 G53 T54 L117 A121	A36-Y51 HydrophobicContact CB-CD2 4.42Å; A36-Y51 HydrophobicContact CB-CE2 3.71Å; A38-Y51 HydrophobicContact CB-CD2 4.23Å; Y51-G53 PolarHBondContact O-N 3.41Å; Y51-T54 PolarHBondContact N-O 3.4Å; Y51-T54 PolarHBondContact O-N 3.08Å; Y51-L117 HydrophobicContact CD1-CB 4.33Å; Y51-L117 HydrophobicContact CD2-CB 3.61Å; Y51-L117 HydrophobicContact CD2-CD1 3.76Å; Y51-L117 HydrophobicContact CD2-CD2 4.34Å; Y51-L117 HydrophobicContact CD2-CG 4.11Å; Y51-L117 HydrophobicContact CE1-CB 4.38Å; Y51-L117 HydrophobicContact CE2-CB 3.62Å; Y51-L117 HydrophobicContact CE2-CD1 3.77Å; Y51-L117 HydrophobicContact CE2-CG 4.3Å; Y51-L117 HydrophobicContact CG-CB 3.97Å; Y51-A121 HydrophobicContact CD1-CB 4.3Å
52	E	88.4	Confident	93.9	Very high	142 Å²	142	56.9 Å²	56.9	66%	0.664	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	31.9	-176	-67.3	178.3	-167.1	0	0	114	A36 T54	A36-E52 HydrophobicContact CB-CG 3.97Å; E52-T54 VanDerWaalsContact C-N 3.31Å; E52-T54 PolarHBondContact O-N 2.83Å
53	G	84.4	Confident	94.1	Very high	66 Å²	66	52.4 Å²	52.4	68%	0.68	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-2.3	-178.4	0	0	0	0	0	115.3	Y51 P55	Y51-G53 PolarHBondContact O-N 3.41Å; G53-P55 WeakPolarHBondContact O-CD 3.47Å
54	T	86.8	Confident	94.3	Very high	68 Å²	68	52.2 Å²	52.2	42%	0.417	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	112.3	175.1	-55.7	0	0	0	0	110.2	S50 Y51 E52 M56	S50-T54 WeakPolarHBondContact CA-O 3.38Å; Y51-T54 PolarHBondContact N-O 3.4Å; Y51-T54 PolarHBondContact O-N 3.08Å; E52-T54 VanDerWaalsContact C-N 3.31Å; E52-T54 PolarHBondContact O-N 2.83Å; T54-M56 HydrophobicContact CG2-CG 4.09Å
55	P	92.8	Very high	94.6	Very high	78 Å²	78	46 Å²	46	51%	0.506	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	131.7	169.8	31.9	-32.8	0	0	0	110	G53	G53-P55 WeakPolarHBondContact O-CD 3.47Å
56	M	95	Very high	94.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147.8	-178.8	-58.4	167.2	-73	0	0	109.4	E48 V49 T54 F58 A121 S124	E48-M56 WeakPolarHBondContact CA-O 3.32Å; V49-M56 HydrophobicContact CB-CE 4.38Å; V49-M56 HydrophobicContact CG1-CE 4.22Å; V49-M56 PolarHBondContact N-O 3.45Å; V49-M56 PolarHBondContact O-N 2.91Å; T54-M56 HydrophobicContact CG2-CG 4.09Å; M56-F58 HydrophobicContact CB-CD2 4.4Å; M56-F58 HydrophobicContact CB-CE2 3.56Å; M56-F58 HydrophobicContact CB-CZ 3.86Å; M56-F58 HydrophobicContact CE-CE2 4.33Å; M56-F58 HydrophobicContact SD-CE2 4.26Å; M56-F58 HydrophobicContact SD-CZ 4Å; M56-A121 VanDerWaalsContact SD-CA 3.56Å; M56-A121 HydrophobicContact SD-CB 4.18Å; M56-S124 VanDerWaalsContact SD-CB 3.58Å
57	R	95.7	Very high	94.8	Very high	148 Å²	148	42.3 Å²	42.3	56%	0.558	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.7	177.2	-69.7	-176.4	179.4	172	1.1	111.4	E48	E48-R57 HydrophobicContact CB-CG 4.31Å; E48-R57 HydrophobicContact CG-CG 4.35Å; E48-R57 IonicContact OE2-CZ 3.56Å; E48-R57 VanDerWaalsContact OE2-CZ 3.23Å; E48-R57 IonicContact OE2-NE 3.07Å; E48-R57 PolarHBondContact OE2-NE 3.47Å; E48-R57 IonicContact OE2-NH2 2.94Å; E48-R57 PolarHBondContact OE2-NH2 3.23Å
58	F	97.4	Very high	94.7	Very high	7 Å²	7	47.3 Å²	47.3	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.9	179.5	-59.8	-81.4	0	0	0	109.9	C46 L47 V49 M56 W62 L63 L120	C46-F58 CarbonylContact C-O 3.4Å; C46-F58 WeakPolarHBondContact CA-O 3.27Å; C46-F58 WeakPolarHBondContact CB-O 3.26Å; L47-F58 PolarHBondContact N-O 2.77Å; L47-F58 PolarHBondContact O-N 2.9Å; V49-F58 HydrophobicContact CB-CD2 4.35Å; V49-F58 HydrophobicContact CB-CE2 4.13Å; V49-F58 HydrophobicContact CG2-CD2 3.92Å; V49-F58 HydrophobicContact CG2-CE2 4.13Å; M56-F58 HydrophobicContact CB-CD2 4.4Å; M56-F58 HydrophobicContact CB-CE2 3.56Å; M56-F58 HydrophobicContact CB-CZ 3.86Å; M56-F58 HydrophobicContact CE-CE2 4.33Å; M56-F58 HydrophobicContact SD-CE2 4.26Å; M56-F58 HydrophobicContact SD-CZ 4Å; F58-W62 AromaticContact CD1-CE3 3.9Å; F58-W62 HydrophobicContact CD1-CE3 3.9Å; F58-W62 HydrophobicContact CD1-CH2 4.18Å; F58-W62 AromaticContact CD1-CZ3 3.54Å; F58-W62 HydrophobicContact CD1-CZ3 3.54Å; F58-W62 HydrophobicContact CE1-CH2 4.25Å; F58-W62 HydrophobicContact CE1-CZ3 4.01Å; F58-L63 HydrophobicContact CB-CD1 3.67Å; F58-L63 HydrophobicContact CB-CD2 3.97Å; F58-L63 HydrophobicContact CB-CG 3.77Å; F58-L63 HydrophobicContact CG-CD2 4.34Å; F58-L120 HydrophobicContact CD1-CD2 4.18Å; F58-L120 HydrophobicContact CD2-CD2 4.5Å; F58-L120 HydrophobicContact CE1-CB 4.3Å; F58-L120 HydrophobicContact CE1-CD2 3.89Å; F58-L120 HydrophobicContact CE2-CB 4.08Å; F58-L120 HydrophobicContact CE2-CD2 4.23Å; F58-L120 HydrophobicContact CG-CD2 4.47Å; F58-L120 HydrophobicContact CZ-CB 3.65Å; F58-L120 HydrophobicContact CZ-CD2 3.93Å; F58-L120 HydrophobicContact CZ-CG 4.3Å; F58-L120 WeakPolarHBondContact CZ-O 3.26Å
59	N	97.3	Very high	94.7	Very high	75 Å²	75	47.1 Å²	47.1	40%	0.401	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	142.1	172.5	177.9	-85.6	0	0	0	110.3	D45 V61 W62 L63	D45-N59 PolarHBondContact O-ND2 3.44Å; D45-N59 VanDerWaalsContact O-ND2 3.16Å; N59-V61 VanDerWaalsContact C-N 3.35Å; N59-V61 PolarHBondContact O-N 2.85Å; N59-V61 WeakPolarHBondContact OD1-CA 3.46Å; N59-V61 WeakPolarHBondContact OD1-CB 3.36Å; N59-V61 PolarHBondContact OD1-N 2.85Å; N59-W62 HydrophobicContact CB-CB 4.31Å; N59-W62 WeakPolarHBondContact O-CB 3.3Å; N59-W62 PolarHBondContact O-N 2.84Å; N59-W62 VanDerWaalsContact O-N 3.16Å; N59-W62 PolarHBondContact OD1-N 2.94Å; N59-L63 PolarHBondContact O-N 2.87Å
60	Y	97.8	Very high	94.6	Very high	5 Å²	5	51.9 Å²	51.9	2%	0.02	28%	0.284	C	S	.	.	H	α-helix	trans	-63.2	-37	-176.6	-61.8	-57.7	0	0	0	113.6	L42 L43 C46 L47 W62 L63 R64 L91 R92 P93 W107	L42-Y60 HydrophobicContact CD1-CE1 3.8Å; L42-Y60 WeakPolarHBondContact CD1-OH 3.47Å; L42-Y60 VanDerWaalsContact CG-OH 3.29Å; L42-Y60 WeakPolarHBondContact CG-OH 3.31Å; L43-Y60 PolarHBondContact N-OH 3.31Å; L43-Y60 PolarHBondContact O-OH 3.02Å; C46-Y60 PolarHBondContact O-OH 3.2Å; L47-Y60 HydrophobicContact CB-CE1 3.93Å; Y60-W62 VanDerWaalsContact C-N 3.35Å; Y60-L63 HydrophobicContact CD1-CD1 4.42Å; Y60-L63 PolarHBondContact O-N 3.11Å; Y60-R64 PolarHBondContact O-N 3.29Å; Y60-L91 WeakPolarHBondContact CB-O 3.35Å; Y60-R92 HydrophobicContact CD2-CG 3.95Å; Y60-R92 HydrophobicContact CE2-CG 4.01Å; Y60-P93 HydrophobicContact CD1-CG 4.09Å; Y60-P93 VanDerWaalsContact CE1-CD 3.45Å; Y60-P93 HydrophobicContact CE1-CG 3.88Å; Y60-W107 VanDerWaalsContact O-CH2 3.28Å; Y60-W107 WeakPolarHBondContact O-CH2 3.48Å
61	V	97.1	Very high	94.6	Very high	23 Å²	23	54.2 Å²	54.2	14%	0.139	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-44	174.6	-175.9	0	0	0	0	109.9	N59 L63 R64 D65 I87 L89	N59-V61 VanDerWaalsContact C-N 3.35Å; N59-V61 PolarHBondContact O-N 2.85Å; N59-V61 WeakPolarHBondContact OD1-CA 3.46Å; N59-V61 WeakPolarHBondContact OD1-CB 3.36Å; N59-V61 PolarHBondContact OD1-N 2.85Å; V61-L63 PolarHBondContact O-N 3.05Å; V61-R64 PolarHBondContact O-N 2.79Å; V61-D65 VanDerWaalsContact O-CB 3.26Å; V61-D65 WeakPolarHBondContact O-CB 3.2Å; V61-D65 PolarHBondContact O-N 3.38Å; V61-I87 HydrophobicContact CB-CG2 4.44Å; V61-I87 HydrophobicContact CG1-CB 4.18Å; V61-I87 HydrophobicContact CG1-CD1 4.41Å; V61-I87 HydrophobicContact CG1-CG2 3.82Å; V61-L89 HydrophobicContact CG1-CD2 4.16Å; V61-L89 HydrophobicContact CG2-CD2 4.09Å
62	W	97.3	Very high	94.8	Very high	72 Å²	72	52.2 Å²	52.2	27%	0.273	29%	0.292	S	S	.	.	H	α-helix	trans	-61.5	-44.1	177.1	-175.5	94.2	0	0	0	112.1	F58 N59 Y60 R64 D65 H66 W119 L120 N123	F58-W62 AromaticContact CD1-CE3 3.9Å; F58-W62 HydrophobicContact CD1-CE3 3.9Å; F58-W62 HydrophobicContact CD1-CH2 4.18Å; F58-W62 AromaticContact CD1-CZ3 3.54Å; F58-W62 HydrophobicContact CD1-CZ3 3.54Å; F58-W62 HydrophobicContact CE1-CH2 4.25Å; F58-W62 HydrophobicContact CE1-CZ3 4.01Å; N59-W62 HydrophobicContact CB-CB 4.31Å; N59-W62 WeakPolarHBondContact O-CB 3.3Å; N59-W62 PolarHBondContact O-N 2.84Å; N59-W62 VanDerWaalsContact O-N 3.16Å; N59-W62 PolarHBondContact OD1-N 2.94Å; Y60-W62 VanDerWaalsContact C-N 3.35Å; W62-R64 VanDerWaalsContact C-N 3.34Å; W62-R64 PolarHBondContact O-N 2.87Å; W62-D65 PolarHBondContact O-N 2.95Å; W62-H66 AromaticContact CD1-CE1 3.49Å; W62-H66 VanDerWaalsContact CD1-CE1 3.49Å; W62-H66 AromaticContact CD1-ND1 3.54Å; W62-H66 AromaticContact CD2-ND1 3.7Å; W62-H66 AromaticContact CE2-CE1 3.91Å; W62-H66 AromaticContact CE2-CG 3.89Å; W62-H66 AromaticContact CE2-ND1 3.58Å; W62-H66 AromaticContact CG-ND1 3.7Å; W62-H66 AromaticContact NE1-CE1 3.34Å; W62-H66 PolarHBondContact NE1-CE1 2.81Å; W62-H66 VanDerWaalsContact NE1-CE1 3.34Å; W62-H66 AromaticContact NE1-ND1 3.45Å; W62-H66 PolarHBondContact NE1-ND1 2.86Å; W62-H66 AromaticContact NE1-NE2 3.91Å; W62-H66 WeakPolarHBondContact O-CB 3.18Å; W62-H66 PolarHBondContact O-N 2.92Å; W62-H66 PolarHBondContact O-ND1 3.2Å; W62-W119 AromaticContact CH2-CH2 3.39Å; W62-W119 HydrophobicContact CH2-CH2 3.39Å; W62-W119 HydrophobicContact CH2-CZ2 4.47Å; W62-W119 AromaticContact CH2-CZ3 3.51Å; W62-W119 HydrophobicContact CH2-CZ3 3.51Å; W62-W119 HydrophobicContact CZ2-CH2 4.01Å; W62-W119 HydrophobicContact CZ3-CH2 4.08Å; W62-W119 AromaticContact CZ3-CZ3 3.89Å; W62-W119 HydrophobicContact CZ3-CZ3 3.89Å; W62-L120 HydrophobicContact CZ3-CD2 4.31Å; W62-N123 HydrophobicContact CH2-CB 4.12Å; W62-N123 HydrophobicContact CZ2-CB 4.28Å
63	L	97.8	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-42.2	174.5	-73.3	161.5	0	0	0	111.1	L47 F58 N59 Y60 V61 C67 L103 L105 W107 F115 L120	L47-L63 HydrophobicContact CB-CD1 4.15Å; L47-L63 HydrophobicContact CD2-CD1 4.38Å; F58-L63 HydrophobicContact CB-CD1 3.67Å; F58-L63 HydrophobicContact CB-CD2 3.97Å; F58-L63 HydrophobicContact CB-CG 3.77Å; F58-L63 HydrophobicContact CG-CD2 4.34Å; N59-L63 PolarHBondContact O-N 2.87Å; Y60-L63 HydrophobicContact CD1-CD1 4.42Å; Y60-L63 PolarHBondContact O-N 3.11Å; V61-L63 PolarHBondContact O-N 3.05Å; L63-C67 PolarHBondContact O-N 3.24Å; L63-L103 HydrophobicContact CD2-CD2 4.18Å; L63-L105 HydrophobicContact CB-CD1 4.07Å; L63-L105 HydrophobicContact CD1-CD1 3.87Å; L63-L105 HydrophobicContact CD2-CD1 4.3Å; L63-L105 HydrophobicContact CG-CD1 4.3Å; L63-W107 HydrophobicContact CB-CH2 3.95Å; L63-W107 HydrophobicContact CB-CZ2 4Å; L63-F115 HydrophobicContact CB-CE2 4.48Å; L63-F115 HydrophobicContact CD2-CD2 4.1Å; L63-F115 HydrophobicContact CD2-CE2 3.94Å; L63-F115 HydrophobicContact CD2-CZ 4.43Å; L63-F115 WeakPolarHBondContact O-CZ 3.21Å; L63-L120 HydrophobicContact CD2-CD2 4.12Å
64	R	97.5	Very high	95.8	Very high	38 Å²	38	46.9 Å²	46.9	14%	0.143	25%	0.25	C	S	.	.	H	α-helix	trans	-66.9	-40.4	177.1	-178.8	63.9	-170.4	90.5	-1.7	112.7	Y60 V61 W62 C67 S72 L82 I87 L91 W107	Y60-R64 PolarHBondContact O-N 3.29Å; V61-R64 PolarHBondContact O-N 2.79Å; W62-R64 VanDerWaalsContact C-N 3.34Å; W62-R64 PolarHBondContact O-N 2.87Å; R64-C67 VanDerWaalsContact O-CB 3.3Å; R64-C67 WeakPolarHBondContact O-CB 3.11Å; R64-S72 PolarHBondContact NH1-OG 3.12Å; R64-L82 HydrophobicContact CG-CD2 4.49Å; R64-L82 VanDerWaalsContact NH1-CD2 3.31Å; R64-L82 WeakPolarHBondContact O-CD2 3.29Å; R64-I87 HydrophobicContact CB-CD1 4.45Å; R64-I87 HydrophobicContact CB-CG2 4.09Å; R64-I87 HydrophobicContact CG-CD1 4.19Å; R64-I87 HydrophobicContact CG-CG1 4.3Å; R64-I87 HydrophobicContact CG-CG2 3.88Å; R64-L91 HydrophobicContact CB-CD2 3.66Å; R64-L91 HydrophobicContact CG-CD2 3.55Å; R64-W107 HydrophobicContact CB-CH2 4.18Å; R64-W107 HydrophobicContact CB-CZ2 4.02Å
65	D	97.2	Very high	96.2	Very high	13 Å²	13	48 Å²	48	7%	0.07	26%	0.261	C	S	.	.	H	α-helix	trans	-67	-37	-178.9	-173.8	48.1	0	0	0	112.9	V61 W62 R80 T84 I87	V61-D65 VanDerWaalsContact O-CB 3.26Å; V61-D65 WeakPolarHBondContact O-CB 3.2Å; V61-D65 PolarHBondContact O-N 3.38Å; W62-D65 PolarHBondContact O-N 2.95Å; D65-R80 IonicContact OD1-CZ 3.58Å; D65-R80 IonicContact OD1-NH1 3.63Å; D65-R80 IonicContact OD1-NH2 2.73Å; D65-R80 IonicContact OD2-CZ 3.85Å; D65-R80 IonicContact OD2-NH1 3.76Å; D65-R80 PolarHBondContact OD2-NH1 3.45Å; D65-R80 IonicContact OD2-NH2 3.99Å; D65-T84 WeakPolarHBondContact OD1-CB 3.12Å; D65-T84 WeakPolarHBondContact OD1-CG2 3.33Å; D65-T84 PolarHBondContact OD1-OG1 3.28Å; D65-I87 HydrophobicContact CB-CD1 3.61Å
66	H	96.9	Very high	96.4	Very high	36 Å²	36	48.4 Å²	48.4	17%	0.167	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	7.4	-177.3	-65.2	77.6	0	0	0	114	W62 R68 R80 W119	W62-H66 AromaticContact CD1-CE1 3.49Å; W62-H66 VanDerWaalsContact CD1-CE1 3.49Å; W62-H66 AromaticContact CD1-ND1 3.54Å; W62-H66 AromaticContact CD2-ND1 3.7Å; W62-H66 AromaticContact CE2-CE1 3.91Å; W62-H66 AromaticContact CE2-CG 3.89Å; W62-H66 AromaticContact CE2-ND1 3.58Å; W62-H66 AromaticContact CG-ND1 3.7Å; W62-H66 AromaticContact NE1-CE1 3.34Å; W62-H66 PolarHBondContact NE1-CE1 2.81Å; W62-H66 VanDerWaalsContact NE1-CE1 3.34Å; W62-H66 AromaticContact NE1-ND1 3.45Å; W62-H66 PolarHBondContact NE1-ND1 2.86Å; W62-H66 AromaticContact NE1-NE2 3.91Å; W62-H66 WeakPolarHBondContact O-CB 3.18Å; W62-H66 PolarHBondContact O-N 2.92Å; W62-H66 PolarHBondContact O-ND1 3.2Å; H66-R68 WeakPolarHBondContact O-CD 3.14Å; H66-R68 PolarHBondContact O-N 2.62Å; H66-R68 PolarHBondContact O-NE 3.34Å; H66-R80 PolarHBondContact CE1-NH1 3.02Å; H66-R80 PolarHBondContact NE2-NH1 3.36Å; H66-R80 VanDerWaalsContact NE2-NH1 3.15Å; H66-W119 HydrophobicContact CB-CH2 3.9Å
67	C	96.8	Very high	96.4	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.014	29%	0.29	C	S	.	.			trans	-51.9	129.5	176.1	-178.3	0	0	0	0	112	L63 R64 S69 S72 H111 S113 F115	L63-C67 PolarHBondContact O-N 3.24Å; R64-C67 VanDerWaalsContact O-CB 3.3Å; R64-C67 WeakPolarHBondContact O-CB 3.11Å; C67-S69 PolarHBondContact SG-OG 3.19Å; C67-S72 VanDerWaalsContact O-CB 3.26Å; C67-S72 WeakPolarHBondContact O-CB 3.28Å; C67-H111 PolarHBondContact SG-NE2 3.43Å; C67-H111 VanDerWaalsContact SG-NE2 3.41Å; C67-S113 WeakPolarHBondContact CB-OG 3.29Å; C67-S113 PolarHBondContact SG-OG 2.99Å; C67-F115 HydrophobicContact CB-CZ 4.5Å
68	R	95.8	Very high	96.4	Very high	105 Å²	105	51.2 Å²	51.2	40%	0.396	30%	0.295	S	S	.	.			trans	-100	19.1	-178.6	-55.7	-56.9	178.8	124.6	3.3	114.3	H66 Y73	H66-R68 WeakPolarHBondContact O-CD 3.14Å; H66-R68 PolarHBondContact O-N 2.62Å; H66-R68 PolarHBondContact O-NE 3.34Å; R68-Y73 PolarHBondContact NH1-OH 3.24Å
69	S	95.1	Very high	96.3	Very high	33 Å²	33	56.6 Å²	56.6	23%	0.231	32%	0.32	C	S	.	.	S	Bend	trans	-67.9	154.7	169.8	66.6	0	0	0	0	110.8	C67 S71 S72 Y73 H111	C67-S69 PolarHBondContact SG-OG 3.19Å; S69-S71 PolarHBondContact O-N 2.84Å; S69-S72 PolarHBondContact O-N 2.92Å; S69-S72 PolarHBondContact OG-OG 3.44Å; S69-Y73 PolarHBondContact O-N 3.49Å; S69-H111 PolarHBondContact OG-CE1 3.35Å; S69-H111 VanDerWaalsContact OG-CE1 3.23Å; S69-H111 PolarHBondContact OG-NE2 3.38Å
70	A	94.7	Very high	96.3	Very high	101 Å²	101	58.8 Å²	58.8	84%	0.835	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.4	-174.6	0	0	0	0	0	114.4
71	S	93.6	Very high	96.1	Very high	81 Å²	81	61.9 Å²	61.9	57%	0.566	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-13.7	174	60.9	0	0	0	0	114.1	S69	S69-S71 PolarHBondContact O-N 2.84Å
72	S	95.4	Very high	96	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.007	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	-18.7	179.4	-57.8	0	0	0	0	113.1	R64 C67 S69 S81 L82	R64-S72 PolarHBondContact NH1-OG 3.12Å; C67-S72 VanDerWaalsContact O-CB 3.26Å; C67-S72 WeakPolarHBondContact O-CB 3.28Å; S69-S72 PolarHBondContact O-N 2.92Å; S69-S72 PolarHBondContact OG-OG 3.44Å; S72-S81 PolarHBondContact O-N 2.93Å; S72-L82 PolarHBondContact O-N 3.37Å
73	Y	97.3	Very high	95.9	Very high	32 Å²	32	63.8 Å²	63.8	13%	0.125	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	128.9	-177.1	-173.3	-107.5	0	0	0	112.5	R68 S69 S75 H78 Q79 R80	R68-Y73 PolarHBondContact NH1-OH 3.24Å; S69-Y73 PolarHBondContact O-N 3.49Å; Y73-S75 PolarHBondContact O-N 2.86Å; Y73-H78 VanDerWaalsContact CE2-C 3.41Å; Y73-H78 WeakPolarHBondContact CE2-O 3.1Å; Y73-H78 VanDerWaalsContact CZ-C 3.41Å; Y73-H78 WeakPolarHBondContact OH-CA 3.16Å; Y73-H78 VanDerWaalsContact OH-CB 3.28Å; Y73-H78 WeakPolarHBondContact OH-CB 3.28Å; Y73-H78 PolarHBondContact OH-ND1 3.07Å; Y73-H78 PolarHBondContact OH-O 2.85Å; Y73-Q79 WeakPolarHBondContact CD2-O 3.09Å; Y73-R80 HydrophobicContact CD2-CG 4.36Å
74	N	96.5	Very high	95.8	Very high	64 Å²	64	66.5 Å²	66.5	34%	0.342	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	107.1	171.4	-175.4	-25.4	0	0	0	109.6	A76 T77 H78 Q79 S81	N74-A76 VanDerWaalsContact C-N 3.29Å; N74-A76 PolarHBondContact O-N 3.5Å; N74-A76 WeakPolarHBondContact OD1-CB 3.44Å; N74-A76 PolarHBondContact OD1-N 2.87Å; N74-T77 PolarHBondContact OD1-N 2.9Å; N74-H78 VanDerWaalsContact O-CA 3.27Å; N74-H78 WeakPolarHBondContact O-CA 3.16Å; N74-H78 PolarHBondContact O-N 3Å; N74-Q79 PolarHBondContact N-O 3.23Å; N74-Q79 PolarHBondContact O-N 3.16Å; N74-S81 PolarHBondContact N-OG 3.24Å
75	S	95.4	Very high	95.7	Very high	91 Å²	91	68 Å²	68	64%	0.636	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.8	-179.7	53.9	0	0	0	0	114.6	Y73	Y73-S75 PolarHBondContact O-N 2.86Å
76	A	96.2	Very high	95.6	Very high	87 Å²	87	71 Å²	71	72%	0.719	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-33.3	178.6	0	0	0	0	0	112.8	N74	N74-A76 VanDerWaalsContact C-N 3.29Å; N74-A76 PolarHBondContact O-N 3.5Å; N74-A76 WeakPolarHBondContact OD1-CB 3.44Å; N74-A76 PolarHBondContact OD1-N 2.87Å
77	T	95.7	Very high	95.6	Very high	69 Å²	69	70 Å²	70	42%	0.423	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-5	175.3	66.7	0	0	0	0	113.5	N74 Q79	N74-T77 PolarHBondContact OD1-N 2.9Å; T77-Q79 VanDerWaalsContact CB-OE1 3.31Å; T77-Q79 PolarHBondContact O-N 3.25Å; T77-Q79 PolarHBondContact OG1-OE1 2.96Å
78	H	95.2	Very high	95.5	Very high	140 Å²	140	76.4 Å²	76.4	65%	0.648	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	22.3	-173.1	-64.8	-68.7	0	0	0	115.7	Y73 N74	Y73-H78 VanDerWaalsContact CE2-C 3.41Å; Y73-H78 WeakPolarHBondContact CE2-O 3.1Å; Y73-H78 VanDerWaalsContact CZ-C 3.41Å; Y73-H78 WeakPolarHBondContact OH-CA 3.16Å; Y73-H78 VanDerWaalsContact OH-CB 3.28Å; Y73-H78 WeakPolarHBondContact OH-CB 3.28Å; Y73-H78 PolarHBondContact OH-ND1 3.07Å; Y73-H78 PolarHBondContact OH-O 2.85Å; N74-H78 VanDerWaalsContact O-CA 3.27Å; N74-H78 WeakPolarHBondContact O-CA 3.16Å; N74-H78 PolarHBondContact O-N 3Å
79	Q	96.5	Very high	95.5	Very high	121 Å²	121	78.4 Å²	78.4	57%	0.565	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	148.2	-176.5	-68.6	162.8	-29.1	0	0	112.9	Y73 N74 T77	Y73-Q79 WeakPolarHBondContact CD2-O 3.09Å; N74-Q79 PolarHBondContact N-O 3.23Å; N74-Q79 PolarHBondContact O-N 3.16Å; T77-Q79 VanDerWaalsContact CB-OE1 3.31Å; T77-Q79 PolarHBondContact O-N 3.25Å; T77-Q79 PolarHBondContact OG1-OE1 2.96Å
80	R	95.8	Very high	95.5	Very high	120 Å²	120	82.3 Å²	82.3	45%	0.453	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	145.2	166.4	-61.4	-168.7	-57.4	-175.2	21.6	109.8	D65 H66 Y73 T84	D65-R80 IonicContact OD1-CZ 3.58Å; D65-R80 IonicContact OD1-NH1 3.63Å; D65-R80 IonicContact OD1-NH2 2.73Å; D65-R80 IonicContact OD2-CZ 3.85Å; D65-R80 IonicContact OD2-NH1 3.76Å; D65-R80 PolarHBondContact OD2-NH1 3.45Å; D65-R80 IonicContact OD2-NH2 3.99Å; H66-R80 PolarHBondContact CE1-NH1 3.02Å; H66-R80 PolarHBondContact NE2-NH1 3.36Å; H66-R80 VanDerWaalsContact NE2-NH1 3.15Å; Y73-R80 HydrophobicContact CD2-CG 4.36Å; R80-T84 PolarHBondContact NH2-OG1 3.12Å
81	S	95.3	Very high	95.6	Very high	70 Å²	70	79 Å²	79	49%	0.49	46%	0.459	S	S	.	.			trans	-123.7	-14.2	-179.3	-52.5	0	0	0	0	113	S72 N74	S72-S81 PolarHBondContact O-N 2.93Å; N74-S81 PolarHBondContact N-OG 3.24Å
82	L	94.3	Very high	95.7	Very high	30 Å²	30	80.6 Å²	80.6	16%	0.157	45%	0.453	C	S	.	.	S	Bend	trans	-71.9	137.7	170	-174.8	70.7	0	0	0	110.5	R64 S72 T84 I87	R64-L82 HydrophobicContact CG-CD2 4.49Å; R64-L82 VanDerWaalsContact NH1-CD2 3.31Å; R64-L82 WeakPolarHBondContact O-CD2 3.29Å; S72-L82 PolarHBondContact O-N 3.37Å; L82-T84 PolarHBondContact O-N 3.18Å; L82-I87 HydrophobicContact CD2-CD1 3.65Å; L82-I87 HydrophobicContact CD2-CG1 4.01Å
83	D	94.5	Very high	95.8	Very high	105 Å²	105	81 Å²	81	56%	0.561	46%	0.456	S	S	*	.			trans	-75	109.5	163.8	178.5	12	0	0	0	109.7	G85 S86	D83-G85 PolarHBondContact O-N 3.35Å; D83-G85 WeakPolarHBondContact OD1-CA 3.44Å; D83-G85 PolarHBondContact OD1-N 2.8Å; D83-S86 PolarHBondContact O-N 2.93Å; D83-S86 VanDerWaalsContact O-N 3.12Å; D83-S86 PolarHBondContact O-OG 2.95Å
84	T	95.3	Very high	95.7	Very high	58 Å²	58	85.9 Å²	85.9	36%	0.356	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-57	-31.8	175.3	-50.3	0	0	0	0	111.8	D65 R80 L82 S86 I87	D65-T84 WeakPolarHBondContact OD1-CB 3.12Å; D65-T84 WeakPolarHBondContact OD1-CG2 3.33Å; D65-T84 PolarHBondContact OD1-OG1 3.28Å; R80-T84 PolarHBondContact NH2-OG1 3.12Å; L82-T84 PolarHBondContact O-N 3.18Å; T84-S86 VanDerWaalsContact C-N 3.26Å; T84-S86 PolarHBondContact O-N 3.39Å; T84-I87 HydrophobicContact CG2-CD1 4.46Å; T84-I87 PolarHBondContact O-N 3.24Å
85	G	96.4	Very high	95.7	Very high	69 Å²	69	85.8 Å²	85.8	71%	0.711	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-70.7	-18.4	179.8	0	0	0	0	0	114.2	D83 I87	D83-G85 PolarHBondContact O-N 3.35Å; D83-G85 WeakPolarHBondContact OD1-CA 3.44Å; D83-G85 PolarHBondContact OD1-N 2.8Å; G85-I87 VanDerWaalsContact C-N 3.35Å
86	S	95	Very high	95.7	Very high	77 Å²	77	83.3 Å²	83.3	54%	0.538	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-91.5	8	177.5	91.9	0	0	0	0	113.5	D83 T84	D83-S86 PolarHBondContact O-N 2.93Å; D83-S86 VanDerWaalsContact O-N 3.12Å; D83-S86 PolarHBondContact O-OG 2.95Å; T84-S86 VanDerWaalsContact C-N 3.26Å; T84-S86 PolarHBondContact O-N 3.39Å
87	I	96.3	Very high	95.7	Very high	14 Å²	14	81 Å²	81	7%	0.072	45%	0.447	C	S	.	.	S	Bend	trans	-90.9	116	178.2	-51.4	172.6	0	0	0	109.1	V61 R64 D65 L82 T84 G85 L89 L91	V61-I87 HydrophobicContact CB-CG2 4.44Å; V61-I87 HydrophobicContact CG1-CB 4.18Å; V61-I87 HydrophobicContact CG1-CD1 4.41Å; V61-I87 HydrophobicContact CG1-CG2 3.82Å; R64-I87 HydrophobicContact CB-CD1 4.45Å; R64-I87 HydrophobicContact CB-CG2 4.09Å; R64-I87 HydrophobicContact CG-CD1 4.19Å; R64-I87 HydrophobicContact CG-CG1 4.3Å; R64-I87 HydrophobicContact CG-CG2 3.88Å; D65-I87 HydrophobicContact CB-CD1 3.61Å; L82-I87 HydrophobicContact CD2-CD1 3.65Å; L82-I87 HydrophobicContact CD2-CG1 4.01Å; T84-I87 HydrophobicContact CG2-CD1 4.46Å; T84-I87 PolarHBondContact O-N 3.24Å; G85-I87 VanDerWaalsContact C-N 3.35Å; I87-L89 PolarHBondContact O-N 3.04Å; I87-L91 HydrophobicContact CG2-CD2 3.89Å
88	E	95.6	Very high	95.7	Very high	137 Å²	137	80.5 Å²	80.5	64%	0.64	44%	0.444	S	S	*	.			trans	-55.5	123.3	172.9	-68.7	-61.4	158	0	0	111.1	T90 L91	E88-T90 PolarHBondContact O-N 2.91Å; E88-T90 VanDerWaalsContact O-N 3.16Å; E88-L91 HydrophobicContact CB-CB 4.33Å; E88-L91 WeakPolarHBondContact O-CB 3.34Å; E88-L91 PolarHBondContact O-N 2.86Å
89	L	95.9	Very high	95.6	Very high	147 Å²	147	78.2 Å²	78.2	77%	0.77	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-16	-176.3	-62.1	-178.5	0	0	0	113.4	V61 I87	V61-L89 HydrophobicContact CG1-CD2 4.16Å; V61-L89 HydrophobicContact CG2-CD2 4.09Å; I87-L89 PolarHBondContact O-N 3.04Å
90	T	95.5	Very high	95.3	Very high	115 Å²	115	80.7 Å²	80.7	71%	0.706	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	1.9	174.5	55	0	0	0	0	113.2	E88 R92	E88-T90 PolarHBondContact O-N 2.91Å; E88-T90 VanDerWaalsContact O-N 3.16Å; T90-R92 PolarHBondContact O-N 2.93Å
91	L	95.1	Very high	95.2	Very high	30 Å²	30	76.9 Å²	76.9	16%	0.157	45%	0.449	C	S	.	.			trans	-55.7	133.1	-178.3	-179.4	68	0	0	0	111.7	Y60 R64 I87 E88 W107 P108	Y60-L91 WeakPolarHBondContact CB-O 3.35Å; R64-L91 HydrophobicContact CB-CD2 3.66Å; R64-L91 HydrophobicContact CG-CD2 3.55Å; I87-L91 HydrophobicContact CG2-CD2 3.89Å; E88-L91 HydrophobicContact CB-CB 4.33Å; E88-L91 WeakPolarHBondContact O-CB 3.34Å; E88-L91 PolarHBondContact O-N 2.86Å; L91-W107 HydrophobicContact CD1-CE3 4.05Å; L91-W107 HydrophobicContact CD2-CD2 4.29Å; L91-W107 HydrophobicContact CD2-CE3 3.71Å; L91-W107 HydrophobicContact CD2-CZ3 3.94Å; L91-W107 HydrophobicContact CG-CE3 3.67Å; L91-W107 HydrophobicContact CG-CZ3 3.89Å; L91-P108 HydrophobicContact CD1-CG 4.18Å
92	R	96.3	Very high	95.2	Very high	115 Å²	115	76.9 Å²	76.9	43%	0.434	44%	0.441	S	S	.	.			trans	-132.6	150.9	171.3	-60.9	-174.8	-171	177.2	4	109.2	E44 Y60 T90 P108	E44-R92 PolarHBondContact O-NE 3.37Å; E44-R92 PolarHBondContact O-NH2 2.94Å; E44-R92 IonicContact OE1-NH2 3.45Å; Y60-R92 HydrophobicContact CD2-CG 3.95Å; Y60-R92 HydrophobicContact CE2-CG 4.01Å; T90-R92 PolarHBondContact O-N 2.93Å; R92-P108 WeakPolarHBondContact O-CD 3.33Å
93	P	96.9	Very high	95.3	Very high	10 Å²	10	75.5 Å²	75.5	7%	0.065	43%	0.434	C	S	.	.			trans	-70.2	144.2	171.2	31.4	-35.1	0	0	0	110.5	L42 Y60 L105 T106 W107	L42-P93 HydrophobicContact CD1-CG 3.9Å; Y60-P93 HydrophobicContact CD1-CG 4.09Å; Y60-P93 VanDerWaalsContact CE1-CD 3.45Å; Y60-P93 HydrophobicContact CE1-CG 3.88Å; P93-L105 HydrophobicContact CB-CB 4.35Å; P93-L105 HydrophobicContact CB-CD2 4.16Å; P93-L105 HydrophobicContact CG-CD2 4.19Å; P93-T106 CarbonylContact C-O 3.57Å; P93-T106 WeakPolarHBondContact CA-O 3.35Å; P93-T106 WeakPolarHBondContact CB-O 3.34Å; P93-W107 HydrophobicContact CB-CE3 4.12Å; P93-W107 HydrophobicContact CB-CZ3 4.18Å; P93-W107 HydrophobicContact CG-CZ3 4.44Å
94	E	96.8	Very high	95.5	Very high	134 Å²	134	71 Å²	71	63%	0.626	41%	0.411	S	S	*	.	S	Bend	trans	-74.5	-30.4	170.1	-64.6	178.9	153.3	0	0	111.1	T106 P108	E94-T106 PolarHBondContact N-O 3.42Å; E94-P108 HydrophobicContact CG-CG 4.01Å; E94-P108 WeakPolarHBondContact OE1-CA 3.45Å
95	S	95.9	Very high	95.6	Very high	63 Å²	63	68.3 Å²	68.3	44%	0.441	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	149.7	173.1	70.3	0	0	0	0	112.5	L105 T106	S95-L105 WeakPolarHBondContact O-CA 3.46Å; S95-T106 PolarHBondContact N-O 2.96Å; S95-T106 PolarHBondContact O-N 3.01Å; S95-T106 WeakPolarHBondContact OG-CB 3.11Å; S95-T106 PolarHBondContact OG-OG1 3.47Å
96	S	96	Very high	95.7	Very high	39 Å²	39	66.7 Å²	66.7	27%	0.273	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	128.6	176	62.9	0	0	0	0	110.8	V104 L105	S96-V104 WeakPolarHBondContact CA-O 3.33Å; S96-L105 VanDerWaalsContact CB-CD2 3.48Å
97	A	95.6	Very high	95.8	Very high	37 Å²	37	63.2 Å²	63.2	31%	0.306	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	163.3	178.9	0	0	0	0	0	111.5	E99 V104	A97-E99 HydrophobicContact CB-CG 4.32Å; A97-V104 PolarHBondContact N-O 2.66Å; A97-V104 PolarHBondContact O-N 3.36Å
98	V	95.3	Very high	95.7	Very high	59 Å²	59	65.9 Å²	65.9	36%	0.358	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.8	165.1	-178.5	0	0	0	0	108.1	A38 L40 Q102 L117	A38-V98 HydrophobicContact CB-CG1 4.41Å; A38-V98 HydrophobicContact CB-CG2 4.15Å; L40-V98 HydrophobicContact CD1-CG2 3.79Å; L40-V98 HydrophobicContact CD2-CG2 3.88Å; L40-V98 HydrophobicContact CG-CG2 3.73Å; V98-Q102 CarbonylContact C-O 3.6Å; V98-Q102 VanDerWaalsContact CA-O 3.29Å; V98-Q102 WeakPolarHBondContact CA-O 3.47Å; V98-L117 HydrophobicContact CG1-CD1 3.97Å
99	E	94.1	Very high	95.6	Very high	93 Å²	93	63.3 Å²	63.3	44%	0.435	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.4	-178	-63.1	174.8	-179.6	0	0	108.1	A97 G101 Q102 V104 K114	A97-E99 HydrophobicContact CB-CG 4.32Å; E99-G101 PolarHBondContact O-N 3.4Å; E99-Q102 PolarHBondContact N-O 3.16Å; E99-Q102 WeakPolarHBondContact O-CA 3.05Å; E99-Q102 WeakPolarHBondContact O-CB 3.49Å; E99-Q102 PolarHBondContact O-N 2.85Å; E99-V104 HydrophobicContact CB-CG2 3.99Å; E99-V104 HydrophobicContact CG-CG2 4.19Å; E99-K114 IonicContact OE2-NZ 3.79Å
100	D	90.4	Very high	95.6	Very high	172 Å²	172	58.7 Å²	58.7	92%	0.92	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	36.5	175.8	-58.1	-35.1	0	0	0	115.5	Q102	D100-Q102 VanDerWaalsContact C-N 3.3Å
101	G	91.8	Very high	95.7	Very high	40 Å²	40	55.3 Å²	55.3	41%	0.412	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	16.1	-177.9	0	0	0	0	0	114.5	E99 L117	E99-G101 PolarHBondContact O-N 3.4Å; G101-L117 WeakPolarHBondContact O-CG 3.17Å; G101-L117 PolarHBondContact O-N 2.94Å
102	Q	96	Very high	95.8	Very high	71 Å²	71	56.7 Å²	56.7	33%	0.332	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.5	175	-55	-167.2	-29.9	0	0	111.5	V98 E99 D100 F115	V98-Q102 CarbonylContact C-O 3.6Å; V98-Q102 VanDerWaalsContact CA-O 3.29Å; V98-Q102 WeakPolarHBondContact CA-O 3.47Å; E99-Q102 PolarHBondContact N-O 3.16Å; E99-Q102 WeakPolarHBondContact O-CA 3.05Å; E99-Q102 WeakPolarHBondContact O-CB 3.49Å; E99-Q102 PolarHBondContact O-N 2.85Å; D100-Q102 VanDerWaalsContact C-N 3.3Å; Q102-F115 CarbonylContact C-O 3.59Å; Q102-F115 WeakPolarHBondContact CA-O 3.26Å; Q102-F115 WeakPolarHBondContact CB-O 3.46Å
103	L	97.1	Very high	95.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124.9	159.3	172.6	65.2	0	0	0	108.6	L40 L47 L63 L105 K114 F115 L120	L40-L103 HydrophobicContact CD1-CD1 3.8Å; L40-L103 HydrophobicContact CD2-CD1 3.89Å; L47-L103 HydrophobicContact CD2-CD1 3.68Å; L47-L103 HydrophobicContact CD2-CD2 3.47Å; L47-L103 VanDerWaalsContact CD2-CD2 3.47Å; L47-L103 HydrophobicContact CD2-CG 4.23Å; L63-L103 HydrophobicContact CD2-CD2 4.18Å; L103-L105 HydrophobicContact CD1-CD2 3.88Å; L103-L105 HydrophobicContact CD1-CG 4.28Å; L103-L105 HydrophobicContact CD2-CD1 4.14Å; L103-L105 HydrophobicContact CD2-CD2 4.41Å; L103-L105 HydrophobicContact CD2-CG 4.24Å; L103-L105 HydrophobicContact CG-CD1 4.48Å; L103-L105 HydrophobicContact CG-CD2 4.19Å; L103-L105 HydrophobicContact CG-CG 4.05Å; L103-K114 WeakPolarHBondContact O-CA 3.38Å; L103-F115 HydrophobicContact CB-CB 4.48Å; L103-F115 HydrophobicContact CD2-CD2 4.31Å; L103-F115 PolarHBondContact N-O 2.95Å; L103-F115 PolarHBondContact O-N 3.16Å; L103-L120 HydrophobicContact CB-CD1 3.77Å; L103-L120 HydrophobicContact CD2-CD1 3.73Å; L103-L120 HydrophobicContact CG-CD1 4.41Å
104	V	97.8	Very high	95.9	Very high	12 Å²	12	55.6 Å²	55.6	7%	0.073	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.3	174.5	-176.4	0	0	0	0	108.8	S96 A97 E99 V112 K114	S96-V104 WeakPolarHBondContact CA-O 3.33Å; A97-V104 PolarHBondContact N-O 2.66Å; A97-V104 PolarHBondContact O-N 3.36Å; E99-V104 HydrophobicContact CB-CG2 3.99Å; E99-V104 HydrophobicContact CG-CG2 4.19Å; V104-V112 HydrophobicContact CG1-CG1 3.89Å; V104-K114 HydrophobicContact CG1-CG 4.34Å; V104-K114 HydrophobicContact CG2-CD 4.05Å; V104-K114 HydrophobicContact CG2-CG 4.11Å
105	L	97.9	Very high	95.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.4	179.9	-61.7	176.7	0	0	0	110.1	L47 L63 P93 S95 S96 L103 W107 V112 S113 F115	L47-L105 HydrophobicContact CD2-CD2 4.25Å; L63-L105 HydrophobicContact CB-CD1 4.07Å; L63-L105 HydrophobicContact CD1-CD1 3.87Å; L63-L105 HydrophobicContact CD2-CD1 4.3Å; L63-L105 HydrophobicContact CG-CD1 4.3Å; P93-L105 HydrophobicContact CB-CB 4.35Å; P93-L105 HydrophobicContact CB-CD2 4.16Å; P93-L105 HydrophobicContact CG-CD2 4.19Å; S95-L105 WeakPolarHBondContact O-CA 3.46Å; S96-L105 VanDerWaalsContact CB-CD2 3.48Å; L103-L105 HydrophobicContact CD1-CD2 3.88Å; L103-L105 HydrophobicContact CD1-CG 4.28Å; L103-L105 HydrophobicContact CD2-CD1 4.14Å; L103-L105 HydrophobicContact CD2-CD2 4.41Å; L103-L105 HydrophobicContact CD2-CG 4.24Å; L103-L105 HydrophobicContact CG-CD1 4.48Å; L103-L105 HydrophobicContact CG-CD2 4.19Å; L103-L105 HydrophobicContact CG-CG 4.05Å; L105-W107 HydrophobicContact CB-CZ2 4.19Å; L105-W107 HydrophobicContact CD1-CH2 3.99Å; L105-W107 HydrophobicContact CD1-CZ2 3.64Å; L105-V112 CarbonylContact O-C 3.46Å; L105-V112 VanDerWaalsContact O-CA 3.31Å; L105-V112 WeakPolarHBondContact O-CA 3.24Å; L105-S113 PolarHBondContact N-O 3.47Å; L105-S113 PolarHBondContact O-N 2.88Å; L105-F115 HydrophobicContact CD1-CE2 4.35Å
106	T	97.8	Very high	95.9	Very high	36 Å²	36	49 Å²	49	22%	0.221	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.1	167.8	-48.8	0	0	0	0	108.7	P93 E94 S95 V112	P93-T106 CarbonylContact C-O 3.57Å; P93-T106 WeakPolarHBondContact CA-O 3.35Å; P93-T106 WeakPolarHBondContact CB-O 3.34Å; E94-T106 PolarHBondContact N-O 3.42Å; S95-T106 PolarHBondContact N-O 2.96Å; S95-T106 PolarHBondContact O-N 3.01Å; S95-T106 WeakPolarHBondContact OG-CB 3.11Å; S95-T106 PolarHBondContact OG-OG1 3.47Å; T106-V112 HydrophobicContact CG2-CG2 4.47Å
107	W	97.1	Very high	95.9	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.015	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	157.3	178.7	-53.8	98.4	0	0	0	111.1	Y60 L63 R64 L91 P93 L105 G109 G110 H111 S113	Y60-W107 VanDerWaalsContact O-CH2 3.28Å; Y60-W107 WeakPolarHBondContact O-CH2 3.48Å; L63-W107 HydrophobicContact CB-CH2 3.95Å; L63-W107 HydrophobicContact CB-CZ2 4Å; R64-W107 HydrophobicContact CB-CH2 4.18Å; R64-W107 HydrophobicContact CB-CZ2 4.02Å; L91-W107 HydrophobicContact CD1-CE3 4.05Å; L91-W107 HydrophobicContact CD2-CD2 4.29Å; L91-W107 HydrophobicContact CD2-CE3 3.71Å; L91-W107 HydrophobicContact CD2-CZ3 3.94Å; L91-W107 HydrophobicContact CG-CE3 3.67Å; L91-W107 HydrophobicContact CG-CZ3 3.89Å; P93-W107 HydrophobicContact CB-CE3 4.12Å; P93-W107 HydrophobicContact CB-CZ3 4.18Å; P93-W107 HydrophobicContact CG-CZ3 4.44Å; L105-W107 HydrophobicContact CB-CZ2 4.19Å; L105-W107 HydrophobicContact CD1-CH2 3.99Å; L105-W107 HydrophobicContact CD1-CZ2 3.64Å; W107-G109 PolarHBondContact O-N 3.37Å; W107-G110 WeakPolarHBondContact O-CA 3.34Å; W107-G110 PolarHBondContact O-N 3.15Å; W107-H111 HydrophobicContact CB-CB 4.35Å; W107-H111 AromaticContact CD1-CD2 3.7Å; W107-H111 VanDerWaalsContact CD1-O 3.29Å; W107-H111 PolarHBondContact N-O 2.68Å; W107-S113 PolarHBondContact NE1-OG 2.9Å
108	P	95.7	Very high	95.8	Very high	69 Å²	69	47 Å²	47	45%	0.448	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.2	132.6	168.5	-30.5	35.8	0	0	0	112.7	L91 R92 E94	L91-P108 HydrophobicContact CD1-CG 4.18Å; R92-P108 WeakPolarHBondContact O-CD 3.33Å; E94-P108 HydrophobicContact CG-CG 4.01Å; E94-P108 WeakPolarHBondContact OE1-CA 3.45Å
109	G	93.1	Very high	95.7	Very high	84 Å²	84	46.4 Å²	46.4	87%	0.866	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	7.5	-170.8	0	0	0	0	0	114.7	W107 H111	W107-G109 PolarHBondContact O-N 3.37Å; G109-H111 PolarHBondContact O-N 3.43Å
110	G	95.5	Very high	95.8	Very high	49 Å²	49	42 Å²	42	51%	0.505	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	12.2	170.7	0	0	0	0	0	115.8	W107	W107-G110 WeakPolarHBondContact O-CA 3.34Å; W107-G110 PolarHBondContact O-N 3.15Å
111	H	96.6	Very high	96	Very high	45 Å²	45	35.2 Å²	35.2	21%	0.208	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.2	172.1	-173	71.1	0	0	0	110.1	C67 S69 W107 G109	C67-H111 PolarHBondContact SG-NE2 3.43Å; C67-H111 VanDerWaalsContact SG-NE2 3.41Å; S69-H111 PolarHBondContact OG-CE1 3.35Å; S69-H111 VanDerWaalsContact OG-CE1 3.23Å; S69-H111 PolarHBondContact OG-NE2 3.38Å; W107-H111 HydrophobicContact CB-CB 4.35Å; W107-H111 AromaticContact CD1-CD2 3.7Å; W107-H111 VanDerWaalsContact CD1-O 3.29Å; W107-H111 PolarHBondContact N-O 2.68Å; G109-H111 PolarHBondContact O-N 3.43Å
112	V	97.6	Very high	95.9	Very high	59 Å²	59	39.6 Å²	39.6	36%	0.358	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.5	178.8	179.9	0	0	0	0	110.8	V104 L105 T106 K114	V104-V112 HydrophobicContact CG1-CG1 3.89Å; L105-V112 CarbonylContact O-C 3.46Å; L105-V112 VanDerWaalsContact O-CA 3.31Å; L105-V112 WeakPolarHBondContact O-CA 3.24Å; T106-V112 HydrophobicContact CG2-CG2 4.47Å; V112-K114 HydrophobicContact CG1-CG 4.28Å
113	S	97.9	Very high	95.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.7	168.6	-60.7	0	0	0	0	110.5	C67 L105 W107	C67-S113 WeakPolarHBondContact CB-OG 3.29Å; C67-S113 PolarHBondContact SG-OG 2.99Å; L105-S113 PolarHBondContact N-O 3.47Å; L105-S113 PolarHBondContact O-N 2.88Å; W107-S113 PolarHBondContact NE1-OG 2.9Å
114	K	97.4	Very high	95.7	Very high	101 Å²	101	39.4 Å²	39.4	44%	0.439	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.5	173.6	-59.3	-159.4	174.4	-152.7	0	110.6	E99 L103 V104 V112	E99-K114 IonicContact OE2-NZ 3.79Å; L103-K114 WeakPolarHBondContact O-CA 3.38Å; V104-K114 HydrophobicContact CG1-CG 4.34Å; V104-K114 HydrophobicContact CG2-CD 4.05Å; V104-K114 HydrophobicContact CG2-CG 4.11Å; V112-K114 HydrophobicContact CG1-CG 4.28Å
115	F	97.5	Very high	95.4	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	131.8	178.4	-55.8	-80.6	0	0	0	109.8	L63 C67 Q102 L103 L105 W119 L120	L63-F115 HydrophobicContact CB-CE2 4.48Å; L63-F115 HydrophobicContact CD2-CD2 4.1Å; L63-F115 HydrophobicContact CD2-CE2 3.94Å; L63-F115 HydrophobicContact CD2-CZ 4.43Å; L63-F115 WeakPolarHBondContact O-CZ 3.21Å; C67-F115 HydrophobicContact CB-CZ 4.5Å; Q102-F115 CarbonylContact C-O 3.59Å; Q102-F115 WeakPolarHBondContact CA-O 3.26Å; Q102-F115 WeakPolarHBondContact CB-O 3.46Å; L103-F115 HydrophobicContact CB-CB 4.48Å; L103-F115 HydrophobicContact CD2-CD2 4.31Å; L103-F115 PolarHBondContact N-O 2.95Å; L103-F115 PolarHBondContact O-N 3.16Å; L105-F115 HydrophobicContact CD1-CE2 4.35Å; F115-W119 HydrophobicContact CB-CE3 4.32Å; F115-W119 AromaticContact CD1-CE3 3.71Å; F115-W119 HydrophobicContact CD1-CE3 3.71Å; F115-W119 HydrophobicContact CD1-CH2 4.4Å; F115-W119 AromaticContact CD1-CZ3 3.49Å; F115-W119 HydrophobicContact CD1-CZ3 3.49Å; F115-W119 VanDerWaalsContact CD1-CZ3 3.49Å; F115-W119 AromaticContact CE1-CZ3 3.97Å; F115-W119 HydrophobicContact CE1-CZ3 3.97Å; F115-W119 HydrophobicContact CG-CE3 4.42Å; F115-W119 HydrophobicContact CG-CZ3 4.4Å; F115-L120 HydrophobicContact CB-CD1 4.04Å; F115-L120 HydrophobicContact CB-CD2 3.91Å; F115-L120 HydrophobicContact CB-CG 3.82Å; F115-L120 HydrophobicContact CG-CD2 4.13Å
116	S	96.1	Very high	95	Very high	54 Å²	54	46.4 Å²	46.4	38%	0.378	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	144.3	169	63.6	0	0	0	0	110.2	G118 W119 L120	S116-G118 VanDerWaalsContact C-N 3.25Å; S116-G118 PolarHBondContact O-N 2.83Å; S116-W119 PolarHBondContact O-N 2.86Å; S116-W119 VanDerWaalsContact O-N 3.12Å; S116-W119 WeakPolarHBondContact OG-CB 3.48Å; S116-W119 PolarHBondContact OG-N 3.04Å; S116-L120 PolarHBondContact O-N 3.16Å
117	L	95.1	Very high	94.5	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.026	28%	0.279	C	S	.	.	H	α-helix	trans	-62.3	-34.7	179.9	-67.4	163	0	0	0	112.1	A38 V49 Y51 V98 G101 L120 A121	A38-L117 HydrophobicContact CB-CD1 3.69Å; A38-L117 HydrophobicContact CB-CD2 3.71Å; A38-L117 HydrophobicContact CB-CG 4.36Å; V49-L117 HydrophobicContact CG1-CD2 4.08Å; Y51-L117 HydrophobicContact CD1-CB 4.33Å; Y51-L117 HydrophobicContact CD2-CB 3.61Å; Y51-L117 HydrophobicContact CD2-CD1 3.76Å; Y51-L117 HydrophobicContact CD2-CD2 4.34Å; Y51-L117 HydrophobicContact CD2-CG 4.11Å; Y51-L117 HydrophobicContact CE1-CB 4.38Å; Y51-L117 HydrophobicContact CE2-CB 3.62Å; Y51-L117 HydrophobicContact CE2-CD1 3.77Å; Y51-L117 HydrophobicContact CE2-CG 4.3Å; Y51-L117 HydrophobicContact CG-CB 3.97Å; V98-L117 HydrophobicContact CG1-CD1 3.97Å; G101-L117 WeakPolarHBondContact O-CG 3.17Å; G101-L117 PolarHBondContact O-N 2.94Å; L117-L120 HydrophobicContact CD2-CD1 4.48Å; L117-L120 PolarHBondContact O-N 3.41Å; L117-A121 PolarHBondContact O-N 3.4Å
118	G	93.6	Very high	94.1	Very high	28 Å²	28	49.3 Å²	49.3	29%	0.289	29%	0.294	S	S	.	.	H	α-helix	trans	-62.6	-43.1	171.9	0	0	0	0	0	113.1	S116 L120 A121 E122	S116-G118 VanDerWaalsContact C-N 3.25Å; S116-G118 PolarHBondContact O-N 2.83Å; G118-L120 VanDerWaalsContact C-N 3.33Å; G118-L120 PolarHBondContact O-N 2.84Å; G118-A121 WeakPolarHBondContact O-CB 3.32Å; G118-A121 PolarHBondContact O-N 3.38Å; G118-E122 WeakPolarHBondContact O-CG 3.13Å; G118-E122 PolarHBondContact O-N 2.68Å
119	W	94.4	Very high	93.8	Very high	47 Å²	47	50.7 Å²	50.7	18%	0.178	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-39	176.1	-176.5	84.4	0	0	0	111.5	W62 H66 F115 S116 E122 N123	W62-W119 AromaticContact CH2-CH2 3.39Å; W62-W119 HydrophobicContact CH2-CH2 3.39Å; W62-W119 HydrophobicContact CH2-CZ2 4.47Å; W62-W119 AromaticContact CH2-CZ3 3.51Å; W62-W119 HydrophobicContact CH2-CZ3 3.51Å; W62-W119 HydrophobicContact CZ2-CH2 4.01Å; W62-W119 HydrophobicContact CZ3-CH2 4.08Å; W62-W119 AromaticContact CZ3-CZ3 3.89Å; W62-W119 HydrophobicContact CZ3-CZ3 3.89Å; H66-W119 HydrophobicContact CB-CH2 3.9Å; F115-W119 HydrophobicContact CB-CE3 4.32Å; F115-W119 AromaticContact CD1-CE3 3.71Å; F115-W119 HydrophobicContact CD1-CE3 3.71Å; F115-W119 HydrophobicContact CD1-CH2 4.4Å; F115-W119 AromaticContact CD1-CZ3 3.49Å; F115-W119 HydrophobicContact CD1-CZ3 3.49Å; F115-W119 VanDerWaalsContact CD1-CZ3 3.49Å; F115-W119 AromaticContact CE1-CZ3 3.97Å; F115-W119 HydrophobicContact CE1-CZ3 3.97Å; F115-W119 HydrophobicContact CG-CE3 4.42Å; F115-W119 HydrophobicContact CG-CZ3 4.4Å; S116-W119 PolarHBondContact O-N 2.86Å; S116-W119 VanDerWaalsContact O-N 3.12Å; S116-W119 WeakPolarHBondContact OG-CB 3.48Å; S116-W119 PolarHBondContact OG-N 3.04Å; W119-E122 PolarHBondContact O-N 2.71Å; W119-N123 HydrophobicContact CH2-CB 4.29Å; W119-N123 HydrophobicContact CZ2-CB 4.15Å; W119-N123 PolarHBondContact NE1-ND2 3.06Å; W119-N123 WeakPolarHBondContact O-CB 3.47Å; W119-N123 PolarHBondContact O-N 3.45Å; W119-N123 PolarHBondContact O-ND2 3.03Å
120	L	95.7	Very high	93.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.8	-44.8	172.1	-70	174.8	0	0	0	111.3	F58 W62 L63 L103 F115 S116 L117 G118 N123 S124	F58-L120 HydrophobicContact CD1-CD2 4.18Å; F58-L120 HydrophobicContact CD2-CD2 4.5Å; F58-L120 HydrophobicContact CE1-CB 4.3Å; F58-L120 HydrophobicContact CE1-CD2 3.89Å; F58-L120 HydrophobicContact CE2-CB 4.08Å; F58-L120 HydrophobicContact CE2-CD2 4.23Å; F58-L120 HydrophobicContact CG-CD2 4.47Å; F58-L120 HydrophobicContact CZ-CB 3.65Å; F58-L120 HydrophobicContact CZ-CD2 3.93Å; F58-L120 HydrophobicContact CZ-CG 4.3Å; F58-L120 WeakPolarHBondContact CZ-O 3.26Å; W62-L120 HydrophobicContact CZ3-CD2 4.31Å; L63-L120 HydrophobicContact CD2-CD2 4.12Å; L103-L120 HydrophobicContact CB-CD1 3.77Å; L103-L120 HydrophobicContact CD2-CD1 3.73Å; L103-L120 HydrophobicContact CG-CD1 4.41Å; F115-L120 HydrophobicContact CB-CD1 4.04Å; F115-L120 HydrophobicContact CB-CD2 3.91Å; F115-L120 HydrophobicContact CB-CG 3.82Å; F115-L120 HydrophobicContact CG-CD2 4.13Å; S116-L120 PolarHBondContact O-N 3.16Å; L117-L120 HydrophobicContact CD2-CD1 4.48Å; L117-L120 PolarHBondContact O-N 3.41Å; G118-L120 VanDerWaalsContact C-N 3.33Å; G118-L120 PolarHBondContact O-N 2.84Å; L120-N123 CarbonylContact O-C 3.54Å; L120-N123 PolarHBondContact O-N 2.87Å; L120-S124 WeakPolarHBondContact O-CB 3.43Å; L120-S124 PolarHBondContact O-N 2.73Å
121	A	93.3	Very high	93.1	Very high	30 Å²	30	53.1 Å²	53.1	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-50.7	176.4	0	0	0	0	0	112.4	Y51 M56 L117 G118 N123 S124	Y51-A121 HydrophobicContact CD1-CB 4.3Å; M56-A121 VanDerWaalsContact SD-CA 3.56Å; M56-A121 HydrophobicContact SD-CB 4.18Å; L117-A121 PolarHBondContact O-N 3.4Å; G118-A121 WeakPolarHBondContact O-CB 3.32Å; G118-A121 PolarHBondContact O-N 3.38Å; A121-N123 VanDerWaalsContact C-N 3.25Å; A121-N123 PolarHBondContact O-N 3.09Å; A121-S124 PolarHBondContact O-N 3.25Å; A121-S124 PolarHBondContact O-OG 3.17Å
122	E	91.7	Very high	92.7	Very high	131 Å²	131	55.2 Å²	55.2	61%	0.612	29%	0.292	S	S	*	.	H	α-helix	trans	-60.3	-30.7	178.3	-71.7	167.9	-175.1	0	0	113.7	G118 W119 R128	G118-E122 WeakPolarHBondContact O-CG 3.13Å; G118-E122 PolarHBondContact O-N 2.68Å; W119-E122 PolarHBondContact O-N 2.71Å; E122-R128 VanDerWaalsContact O-CD 3.26Å; E122-R128 WeakPolarHBondContact O-CD 3.2Å
123	N	93.6	Very high	92.4	Very high	66 Å²	66	54.1 Å²	54.1	35%	0.353	28%	0.283	S	S	.	.	H	α-helix	trans	-109.1	8.7	-174.6	-64.2	-99.1	0	0	0	113.1	W62 W119 L120 A121	W62-N123 HydrophobicContact CH2-CB 4.12Å; W62-N123 HydrophobicContact CZ2-CB 4.28Å; W119-N123 HydrophobicContact CH2-CB 4.29Å; W119-N123 HydrophobicContact CZ2-CB 4.15Å; W119-N123 PolarHBondContact NE1-ND2 3.06Å; W119-N123 WeakPolarHBondContact O-CB 3.47Å; W119-N123 PolarHBondContact O-N 3.45Å; W119-N123 PolarHBondContact O-ND2 3.03Å; L120-N123 CarbonylContact O-C 3.54Å; L120-N123 PolarHBondContact O-N 2.87Å; A121-N123 VanDerWaalsContact C-N 3.25Å; A121-N123 PolarHBondContact O-N 3.09Å
124	S	93.8	Very high	92.1	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.014	29%	0.285	C	S	.	.	S	Bend	trans	-77	147.5	174.8	66.2	0	0	0	0	111.9	M56 L120 A121 E126 G127 R128	M56-S124 VanDerWaalsContact SD-CB 3.58Å; L120-S124 WeakPolarHBondContact O-CB 3.43Å; L120-S124 PolarHBondContact O-N 2.73Å; A121-S124 PolarHBondContact O-N 3.25Å; A121-S124 PolarHBondContact O-OG 3.17Å; S124-E126 PolarHBondContact O-N 2.85Å; S124-G127 PolarHBondContact O-N 3.34Å; S124-G127 WeakPolarHBondContact OG-CA 3.16Å; S124-G127 PolarHBondContact OG-N 3.21Å; S124-R128 WeakPolarHBondContact O-CB 3.49Å; S124-R128 VanDerWaalsContact O-CG 3.23Å; S124-R128 WeakPolarHBondContact O-CG 3.33Å; S124-R128 PolarHBondContact O-N 2.9Å
125	H	91.9	Very high	91.9	Very high	98 Å²	98	51.8 Å²	51.8	45%	0.454	28%	0.277	S	S	.	.	H	α-helix	trans	-63	-34.3	175.2	-179	56.1	0	0	0	111.9	K129	H125-K129 PolarHBondContact CD2-NZ 3Å; H125-K129 WeakPolarHBondContact NE2-CE 3.39Å; H125-K129 PolarHBondContact NE2-NZ 3.12Å; H125-K129 WeakPolarHBondContact O-CG 3.28Å; H125-K129 PolarHBondContact O-N 3.3Å
126	E	89.2	Confident	91.8	Very high	61 Å²	61	52.8 Å²	52.8	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-65.4	-46	176.2	-70.9	61.5	-125	0	0	112	S124 K129	S124-E126 PolarHBondContact O-N 2.85Å; E126-K129 PolarHBondContact O-N 2.86Å
127	G	86.9	Confident	91.9	Very high	16 Å²	16	53.3 Å²	53.3	17%	0.165	28%	0.279	C	S	.	.	H	α-helix	trans	-65.8	-40.1	175.4	0	0	0	0	0	112.6	S124 K129 T130 V131	S124-G127 PolarHBondContact O-N 3.34Å; S124-G127 WeakPolarHBondContact OG-CA 3.16Å; S124-G127 PolarHBondContact OG-N 3.21Å; G127-K129 PolarHBondContact O-N 3.29Å; G127-T130 PolarHBondContact O-N 3.09Å; G127-T130 PolarHBondContact O-OG1 3.49Å; G127-T130 VanDerWaalsContact O-OG1 3.1Å; G127-V131 WeakPolarHBondContact O-CG2 3.5Å; G127-V131 PolarHBondContact O-N 2.92Å
128	R	90.3	Very high	92	Very high	84 Å²	84	55.9 Å²	55.9	32%	0.317	29%	0.292	S	S	.	.	H	α-helix	trans	-68.9	-16.7	179.6	-65	-57.9	-62.4	-160.9	-12.7	114.4	E122 S124 T130 E133	E122-R128 VanDerWaalsContact O-CD 3.26Å; E122-R128 WeakPolarHBondContact O-CD 3.2Å; S124-R128 WeakPolarHBondContact O-CB 3.49Å; S124-R128 VanDerWaalsContact O-CG 3.23Å; S124-R128 WeakPolarHBondContact O-CG 3.33Å; S124-R128 PolarHBondContact O-N 2.9Å; R128-T130 VanDerWaalsContact C-N 3.32Å; R128-E133 IonicContact CZ-OE1 2.82Å; R128-E133 IonicContact CZ-OE2 3.17Å; R128-E133 IonicContact NE-OE1 3.4Å; R128-E133 IonicContact NH2-OE1 3.81Å; R128-E133 PolarHBondContact NH2-OE1 3.44Å; R128-E133 IonicContact NH2-OE2 3.51Å; R128-E133 PolarHBondContact NH2-OE2 3.37Å
129	K	88.6	Confident	92.3	Very high	99 Å²	99	54.6 Å²	54.6	43%	0.43	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-27.6	172.9	-81.5	166.6	-179.8	158.5	0	113.9	H125 E126 G127 W311	H125-K129 PolarHBondContact CD2-NZ 3Å; H125-K129 WeakPolarHBondContact NE2-CE 3.39Å; H125-K129 PolarHBondContact NE2-NZ 3.12Å; H125-K129 WeakPolarHBondContact O-CG 3.28Å; H125-K129 PolarHBondContact O-N 3.3Å; E126-K129 PolarHBondContact O-N 2.86Å; G127-K129 PolarHBondContact O-N 3.29Å; K129-W311 WeakPolarHBondContact CG-O 3.45Å
130	T	83.9	Confident	92.5	Very high	123 Å²	123	53.4 Å²	53.4	76%	0.755	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-15.3	-172.4	59.6	0	0	0	0	113.3	G127 R128	G127-T130 PolarHBondContact O-N 3.09Å; G127-T130 PolarHBondContact O-OG1 3.49Å; G127-T130 VanDerWaalsContact O-OG1 3.1Å; R128-T130 VanDerWaalsContact C-N 3.32Å
131	V	89.2	Confident	92.6	Very high	60 Å²	60	53.9 Å²	53.9	36%	0.364	28%	0.28	S	S	.	.			trans	-82.7	132.1	176.6	173.9	0	0	0	0	110.4	G127 N312	G127-V131 WeakPolarHBondContact O-CG2 3.5Å; G127-V131 PolarHBondContact O-N 2.92Å; V131-N312 PolarHBondContact O-ND2 3.14Å
132	M	89.3	Confident	92.8	Very high	90 Å²	90	57 Å²	57	44%	0.443	29%	0.292	S	S	.	.			trans	-77.5	133.8	164.9	-66.4	-178.6	69.3	0	0	109.7	Q134 E314 Q407	M132-Q134 WeakPolarHBondContact CE-O 3.32Å; M132-E314 WeakPolarHBondContact CA-OE2 3.3Å; M132-Q407 PolarHBondContact O-NE2 3.06Å
133	E	90.9	Very high	93.1	Very high	36 Å²	36	53.4 Å²	53.4	17%	0.168	28%	0.279	C	S	.	.	S	Bend	trans	-65	-48.7	173.3	-59	-56.6	156.5	0	0	110.4	R128 Y309 W311 E314	R128-E133 IonicContact CZ-OE1 2.82Å; R128-E133 IonicContact CZ-OE2 3.17Å; R128-E133 IonicContact NE-OE1 3.4Å; R128-E133 IonicContact NH2-OE1 3.81Å; R128-E133 PolarHBondContact NH2-OE1 3.44Å; R128-E133 IonicContact NH2-OE2 3.51Å; R128-E133 PolarHBondContact NH2-OE2 3.37Å; E133-Y309 HydrophobicContact CB-CD2 4.38Å; E133-Y309 HydrophobicContact CB-CE2 3.86Å; E133-Y309 HydrophobicContact CG-CD2 3.65Å; E133-Y309 HydrophobicContact CG-CE2 3.55Å; E133-W311 HydrophobicContact CG-CZ2 4.12Å; E133-W311 WeakPolarHBondContact OE1-CZ2 3.26Å; E133-W311 PolarHBondContact OE1-NE1 3.48Å; E133-E314 PolarHBondContact N-OE2 2.73Å
134	Q	91.3	Very high	93.3	Very high	10 Å²	10	51.2 Å²	51.2	5%	0.047	27%	0.266	C	S	.	.	S	Bend	trans	-126.6	110.2	179.6	-70	-177.5	-11.9	0	0	109.9	M132 R136 E314 L398 A408	M132-Q134 WeakPolarHBondContact CE-O 3.32Å; Q134-R136 WeakPolarHBondContact O-CG 3.34Å; Q134-R136 PolarHBondContact O-N 3.28Å; Q134-E314 PolarHBondContact N-OE1 2.87Å; Q134-L398 VanDerWaalsContact NE2-CD2 3.33Å; Q134-A408 WeakPolarHBondContact CG-OXT 3.34Å; Q134-A408 PolarHBondContact NE2-OXT 3.14Å
135	P	93.2	Very high	93.5	Very high	41 Å²	41	56.7 Å²	56.7	27%	0.266	29%	0.291	S	S	.	.			trans	-59.6	123.4	173.5	-24.9	34.9	0	0	0	111.2	Q407	P135-Q407 HydrophobicContact CG-CB 4.02Å; P135-Q407 HydrophobicContact CG-CG 3.86Å; P135-Q407 VanDerWaalsContact CG-OE1 3.27Å
136	R	95.4	Very high	93.7	Very high	28 Å²	28	56.8 Å²	56.8	11%	0.106	30%	0.295	C	S	.	.			trans	-137.2	143.7	-176.1	-67.3	168.3	-161.2	134.4	-10.5	110.1	Q134 L173 E314 L315	Q134-R136 WeakPolarHBondContact O-CG 3.34Å; Q134-R136 PolarHBondContact O-N 3.28Å; R136-L173 WeakPolarHBondContact CA-O 3.43Å; R136-E314 IonicContact CZ-OE1 3.42Å; R136-E314 IonicContact NH1-OE1 3.1Å; R136-E314 PolarHBondContact NH1-OE1 3.05Å; R136-E314 IonicContact NH2-OE1 3.33Å; R136-L315 PolarHBondContact NH1-O 2.81Å; R136-L315 PolarHBondContact NH2-O 2.85Å
137	I	97.9	Very high	94.1	Very high	65 Å²	65	55.8 Å²	55.8	33%	0.333	30%	0.297	S	S	.	.			trans	-100.6	108.9	166.7	-66.3	167.9	0	0	0	106.3	V143 L173 Y174 R373	I137-V143 HydrophobicContact CG2-CG1 4.3Å; I137-L173 HydrophobicContact CD1-CD2 4.32Å; I137-L173 HydrophobicContact CG1-CD2 4.32Å; I137-L173 PolarHBondContact N-O 2.97Å; I137-Y174 HydrophobicContact CB-CD1 4.26Å; I137-Y174 HydrophobicContact CB-CE1 3.88Å; I137-Y174 HydrophobicContact CD1-CE1 4.18Å; I137-Y174 HydrophobicContact CD1-CE2 4.03Å; I137-Y174 VanDerWaalsContact CD1-OH 3.28Å; I137-Y174 WeakPolarHBondContact CD1-OH 3.29Å; I137-Y174 HydrophobicContact CG2-CD1 4.29Å; I137-Y174 HydrophobicContact CG2-CE1 3.65Å; I137-R373 PolarHBondContact O-NH2 2.74Å
138	L	98.5	Very high	94.4	Very high	58 Å²	58	65 Å²	65	30%	0.304	33%	0.327	S	S	.	.			trans	-74.4	131.1	175.9	-58.1	-176.2	0	0	0	109.8	D260 F262 Y263 E266	L138-D260 WeakPolarHBondContact CA-OD2 3.48Å; L138-F262 HydrophobicContact CD2-CB 3.59Å; L138-Y263 HydrophobicContact CB-CD2 4.13Å; L138-E266 HydrophobicContact CD1-CB 4.34Å; L138-E266 HydrophobicContact CD1-CG 3.37Å
139	W	98.8	Very high	94.6	Very high	1 Å²	1	63 Å²	63	0%	0.004	32%	0.322	C	S	.	.			trans	-132.4	149.5	-168.8	58.3	-95.6	0	0	0	114.7	V143 Y144 Y174 I176 L258 D260 Y263 L357 V374	W139-V143 HydrophobicContact CB-CB 3.95Å; W139-V143 HydrophobicContact CB-CG1 3.75Å; W139-Y144 HydrophobicContact CD2-CD2 4.05Å; W139-Y144 HydrophobicContact CD2-CG 4.42Å; W139-Y144 HydrophobicContact CG-CD2 4.18Å; W139-Y174 AromaticContact CD1-CD1 3.8Å; W139-Y174 HydrophobicContact CG-CD1 4.45Å; W139-Y174 PolarHBondContact NE1-O 3.34Å; W139-I176 HydrophobicContact CH2-CD1 4.21Å; W139-I176 HydrophobicContact CZ2-CD1 3.85Å; W139-I176 HydrophobicContact CZ2-CG1 4.2Å; W139-L258 HydrophobicContact CH2-CB 4.11Å; W139-D260 HydrophobicContact CD2-CB 3.77Å; W139-D260 HydrophobicContact CE3-CB 4.14Å; W139-D260 HydrophobicContact CG-CB 4.17Å; W139-D260 HydrophobicContact CH2-CB 4.31Å; W139-D260 HydrophobicContact CZ2-CB 3.97Å; W139-D260 HydrophobicContact CZ3-CB 4.39Å; W139-D260 PolarHBondContact N-OD2 3.23Å; W139-D260 VanDerWaalsContact O-CB 3.32Å; W139-D260 WeakPolarHBondContact O-CB 3.3Å; W139-Y263 WeakPolarHBondContact O-CB 3.38Å; W139-L357 HydrophobicContact CH2-CB 4.28Å; W139-L357 HydrophobicContact CH2-CD2 4.34Å; W139-L357 HydrophobicContact CZ3-CB 3.84Å; W139-L357 HydrophobicContact CZ3-CD2 4.32Å; W139-V374 HydrophobicContact CH2-CG1 4.24Å; W139-V374 HydrophobicContact CZ2-CG1 4Å; W139-V374 HydrophobicContact CZ2-CG2 4.04Å
140	N	98.6	Very high	94.8	Very high	23 Å²	23	62.1 Å²	62.1	12%	0.123	33%	0.328	C	S	.	.			trans	-107.8	180	154.9	78.3	-6.8	0	0	0	109	N142 V143 Y144 Y263 E354 N355	N140-N142 VanDerWaalsContact C-N 3.28Å; N140-N142 PolarHBondContact O-N 3.44Å; N140-N142 PolarHBondContact OD1-N 3.32Å; N140-V143 PolarHBondContact O-N 3.38Å; N140-V143 VanDerWaalsContact O-N 3.14Å; N140-V143 WeakPolarHBondContact OD1-CG2 3.4Å; N140-V143 PolarHBondContact OD1-N 2.96Å; N140-Y144 PolarHBondContact O-N 2.8Å; N140-Y263 HydrophobicContact CB-CD1 4.37Å; N140-Y263 HydrophobicContact CB-CE1 3.9Å; N140-Y263 HydrophobicContact CB-CE2 4.44Å; N140-E354 VanDerWaalsContact CB-O 3.31Å; N140-E354 WeakPolarHBondContact CB-O 3.18Å; N140-N355 WeakPolarHBondContact CB-OD1 3.41Å
141	A	97.9	Very high	95.4	Very high	10 Å²	10	57.4 Å²	57.4	8%	0.083	30%	0.302	C	S	.	.	H	α-helix	trans	-56.7	-42	-174.3	0	0	0	0	0	112.6	Y144 Q145 E354 E356	A141-Y144 PolarHBondContact O-N 2.89Å; A141-Q145 WeakPolarHBondContact O-CB 3.46Å; A141-Q145 WeakPolarHBondContact O-CG 3.42Å; A141-Q145 PolarHBondContact O-N 3.5Å; A141-E354 WeakPolarHBondContact CB-O 3.48Å; A141-E354 PolarHBondContact N-O 3.43Å; A141-E356 WeakPolarHBondContact CB-O 3.24Å
142	N	98.1	Very high	95.8	Very high	95 Å²	95	54.7 Å²	54.7	51%	0.508	29%	0.286	S	S	.	.	H	α-helix	trans	-66	-42.5	177.9	176	74.2	0	0	0	112.5	N140 N146	N140-N142 VanDerWaalsContact C-N 3.28Å; N140-N142 PolarHBondContact O-N 3.44Å; N140-N142 PolarHBondContact OD1-N 3.32Å; N142-N146 VanDerWaalsContact CG-ND2 3.29Å; N142-N146 PolarHBondContact ND2-ND2 2.88Å; N142-N146 WeakPolarHBondContact O-CB 3.33Å; N142-N146 PolarHBondContact O-N 2.72Å; N142-N146 PolarHBondContact O-ND2 2.93Å; N142-N146 PolarHBondContact OD1-ND2 2.76Å
143	V	98.3	Very high	96.2	Very high	55 Å²	55	54.4 Å²	54.4	33%	0.333	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-47	176.7	171.5	0	0	0	0	110.6	I137 W139 N140 N146 A147	I137-V143 HydrophobicContact CG2-CG1 4.3Å; W139-V143 HydrophobicContact CB-CB 3.95Å; W139-V143 HydrophobicContact CB-CG1 3.75Å; N140-V143 PolarHBondContact O-N 3.38Å; N140-V143 VanDerWaalsContact O-N 3.14Å; N140-V143 WeakPolarHBondContact OD1-CG2 3.4Å; N140-V143 PolarHBondContact OD1-N 2.96Å; V143-N146 PolarHBondContact O-N 2.9Å; V143-A147 PolarHBondContact O-N 2.83Å
144	Y	98.1	Very high	96.6	Very high	20 Å²	20	54.2 Å²	54.2	8%	0.078	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-44.5	-179.5	-170.3	-87.6	0	0	0	112.4	W139 N140 A141 N146 A147 I149 Y174 I176 L357	W139-Y144 HydrophobicContact CD2-CD2 4.05Å; W139-Y144 HydrophobicContact CD2-CG 4.42Å; W139-Y144 HydrophobicContact CG-CD2 4.18Å; N140-Y144 PolarHBondContact O-N 2.8Å; A141-Y144 PolarHBondContact O-N 2.89Å; Y144-N146 PolarHBondContact O-N 3.3Å; Y144-A147 WeakPolarHBondContact O-CB 3.32Å; Y144-A147 PolarHBondContact O-N 3.48Å; Y144-I149 HydrophobicContact CD2-CD1 4.16Å; Y144-I149 HydrophobicContact CE2-CD1 3.53Å; Y144-Y174 AromaticContact CD2-CD1 3.83Å; Y144-Y174 HydrophobicContact CD2-CD1 3.83Å; Y144-Y174 HydrophobicContact CD2-CG 4.29Å; Y144-Y174 HydrophobicContact CE2-CD1 4.12Å; Y144-Y174 HydrophobicContact CE2-CG 4.11Å; Y144-I176 HydrophobicContact CD2-CD1 4.09Å; Y144-I176 HydrophobicContact CD2-CG1 4.37Å; Y144-I176 HydrophobicContact CE1-CD1 4.13Å; Y144-I176 HydrophobicContact CE2-CD1 3.47Å; Y144-I176 VanDerWaalsContact CE2-CD1 3.47Å; Y144-I176 HydrophobicContact CE2-CG1 3.5Å; Y144-I176 VanDerWaalsContact CE2-CG1 3.5Å; Y144-I176 VanDerWaalsContact CZ-CD1 3.49Å; Y144-L357 HydrophobicContact CD1-CD1 4.28Å; Y144-L357 HydrophobicContact CD1-CD2 3.41Å; Y144-L357 VanDerWaalsContact CD1-CD2 3.41Å; Y144-L357 HydrophobicContact CD1-CG 4.5Å; Y144-L357 HydrophobicContact CE1-CD2 3.73Å; Y144-L357 HydrophobicContact CG-CD2 3.86Å
145	Q	96.6	Very high	96.8	Very high	118 Å²	118	59.6 Å²	59.6	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-64	-40.4	179	-72.2	169	4.4	0	0	112.3	A141 A147 R148 L357	A141-Q145 WeakPolarHBondContact O-CB 3.46Å; A141-Q145 WeakPolarHBondContact O-CG 3.42Å; A141-Q145 PolarHBondContact O-N 3.5Å; Q145-A147 VanDerWaalsContact C-N 3.29Å; Q145-A147 PolarHBondContact O-N 3.34Å; Q145-R148 PolarHBondContact O-N 3.45Å; Q145-L357 HydrophobicContact CG-CD1 4.22Å
146	N	97.6	Very high	97	Very high	100 Å²	100	64 Å²	64	54%	0.535	32%	0.324	S	S	.	.	H	α-helix	trans	-70.2	-23.1	178.2	-74.8	-50.4	0	0	0	113.6	N142 V143 Y144 R148	N142-N146 VanDerWaalsContact CG-ND2 3.29Å; N142-N146 PolarHBondContact ND2-ND2 2.88Å; N142-N146 WeakPolarHBondContact O-CB 3.33Å; N142-N146 PolarHBondContact O-N 2.72Å; N142-N146 PolarHBondContact O-ND2 2.93Å; N142-N146 PolarHBondContact OD1-ND2 2.76Å; V143-N146 PolarHBondContact O-N 2.9Å; Y144-N146 PolarHBondContact O-N 3.3Å; N146-R148 PolarHBondContact O-N 2.73Å
147	A	96.2	Very high	97.2	Very high	40 Å²	40	62.6 Å²	62.6	33%	0.331	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-17.7	173.4	0	0	0	0	0	113.7	V143 Y144 Q145 I149 Y174	V143-A147 PolarHBondContact O-N 2.83Å; Y144-A147 WeakPolarHBondContact O-CB 3.32Å; Y144-A147 PolarHBondContact O-N 3.48Å; Q145-A147 VanDerWaalsContact C-N 3.29Å; Q145-A147 PolarHBondContact O-N 3.34Å; A147-I149 HydrophobicContact CB-CD1 4.35Å; A147-I149 HydrophobicContact CB-CG1 3.89Å; A147-I149 PolarHBondContact O-N 3.21Å; A147-I149 VanDerWaalsContact O-N 3.13Å; A147-Y174 HydrophobicContact CB-CE1 3.99Å; A147-Y174 WeakPolarHBondContact CB-OH 3.35Å
148	R	93.8	Very high	97.2	Very high	209 Å²	209	62 Å²	62	79%	0.789	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	37.5	176	-62.3	178.6	-179.4	-174.4	0.2	114	Q145 N146 S150	Q145-R148 PolarHBondContact O-N 3.45Å; N146-R148 PolarHBondContact O-N 2.73Å; R148-S150 PolarHBondContact O-N 3Å
149	I	94.1	Very high	97.1	Very high	42 Å²	42	63.9 Å²	63.9	22%	0.215	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-60.4	122.1	-179.9	-50	176.1	0	0	0	108.9	Y144 A147 N170 Y174	Y144-I149 HydrophobicContact CD2-CD1 4.16Å; Y144-I149 HydrophobicContact CE2-CD1 3.53Å; A147-I149 HydrophobicContact CB-CD1 4.35Å; A147-I149 HydrophobicContact CB-CG1 3.89Å; A147-I149 PolarHBondContact O-N 3.21Å; A147-I149 VanDerWaalsContact O-N 3.13Å; I149-N170 HydrophobicContact CG2-CB 4.05Å; I149-Y174 HydrophobicContact CD1-CD1 3.82Å; I149-Y174 HydrophobicContact CD1-CD2 3.27Å; I149-Y174 HydrophobicContact CD1-CE1 3.93Å; I149-Y174 HydrophobicContact CD1-CE2 3.4Å; I149-Y174 HydrophobicContact CD1-CG 3.49Å; I149-Y174 VanDerWaalsContact CD1-CG 3.49Å; I149-Y174 HydrophobicContact CG1-CD2 4.42Å; I149-Y174 HydrophobicContact CG1-CE2 4.15Å
150	S	92.6	Very high	97.1	Very high	80 Å²	80	65.5 Å²	65.5	56%	0.559	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-85.3	135.8	176.5	-55.8	0	0	0	0	110.3	R148	R148-S150 PolarHBondContact O-N 3Å
151	A	96.8	Very high	97.1	Very high	25 Å²	25	68.8 Å²	68.8	21%	0.207	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-60	146.4	166.2	0	0	0	0	0	110.4	F178 D180	A151-F178 WeakPolarHBondContact CA-O 3.38Å; A151-F178 HydrophobicContact CB-CB 3.68Å; A151-D180 HydrophobicContact CB-CB 4.35Å
152	A	97.9	Very high	97.1	Very high	3 Å²	3	72.4 Å²	72.4	3%	0.025	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	153.4	166.1	0	0	0	0	0	109.2	F157 E163 F167 F178 V179 D180	A152-F157 HydrophobicContact CB-CB 4.15Å; A152-F157 HydrophobicContact CB-CD2 3.7Å; A152-F157 HydrophobicContact CB-CG 4.24Å; A152-E163 HydrophobicContact CB-CG 4.09Å; A152-F167 HydrophobicContact CB-CD2 4.33Å; A152-F178 PolarHBondContact N-O 3.21Å; A152-V179 HydrophobicContact CB-CG2 4.38Å; A152-V179 WeakPolarHBondContact O-CA 3.38Å; A152-D180 PolarHBondContact O-N 2.91Å
153	K	98.1	Very high	97	Very high	83 Å²	83	69.4 Å²	69.4	36%	0.361	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.9	173.7	-63.8	-47.6	-151.4	163.8	0	109.7	D155 K156 F157 D180 D181	K153-D155 PolarHBondContact O-N 3.38Å; K153-K156 PolarHBondContact O-N 3.08Å; K153-F157 WeakPolarHBondContact O-CB 3.48Å; K153-F157 PolarHBondContact O-N 2.88Å; K153-D180 HydrophobicContact CD-CB 3.7Å; K153-D180 IonicContact NZ-OD2 3.45Å; K153-D180 PolarHBondContact NZ-OD2 3.06Å; K153-D181 VanDerWaalsContact CD-OD2 3.23Å; K153-D181 WeakPolarHBondContact CD-OD2 3.39Å; K153-D181 WeakPolarHBondContact CE-OD2 3.4Å; K153-D181 IonicContact NZ-OD1 2.61Å; K153-D181 IonicContact NZ-OD2 3.67Å; K153-D181 PolarHBondContact NZ-OD2 3.09Å
154	W	98.1	Very high	97	Very high	33 Å²	33	67 Å²	67	13%	0.125	36%	0.355	C	S	.	.	H	α-helix	trans	-38.3	-59.4	-174.9	164.5	-97.5	0	0	0	113.8	K156 F157 M158 D180 D181 V182 P183 A188 E191 V192	W154-K156 VanDerWaalsContact C-N 3.3Å; W154-K156 PolarHBondContact O-N 3.4Å; W154-F157 WeakPolarHBondContact O-CB 3.48Å; W154-F157 PolarHBondContact O-N 2.86Å; W154-M158 HydrophobicContact CD2-CG 3.94Å; W154-M158 HydrophobicContact CE3-CG 3.93Å; W154-M158 HydrophobicContact CE3-SD 4.27Å; W154-M158 HydrophobicContact CH2-CG 4.22Å; W154-M158 HydrophobicContact CH2-SD 4.39Å; W154-M158 HydrophobicContact CZ2-CG 4.17Å; W154-M158 HydrophobicContact CZ3-CG 4.09Å; W154-M158 HydrophobicContact CZ3-SD 4.05Å; W154-M158 WeakPolarHBondContact O-CG 3.39Å; W154-M158 PolarHBondContact O-N 2.86Å; W154-D180 PolarHBondContact N-O 3.43Å; W154-D181 WeakPolarHBondContact CB-O 3.44Å; W154-V182 HydrophobicContact CB-CG2 4.25Å; W154-V182 HydrophobicContact CD2-CG1 4.47Å; W154-V182 HydrophobicContact CE3-CB 4.14Å; W154-V182 HydrophobicContact CE3-CG1 3.71Å; W154-V182 HydrophobicContact CE3-CG2 3.93Å; W154-V182 HydrophobicContact CZ3-CG1 3.86Å; W154-P183 HydrophobicContact CZ2-CG 4.41Å; W154-A188 HydrophobicContact CH2-CB 3.98Å; W154-A188 HydrophobicContact CZ3-CB 4.29Å; W154-A188 WeakPolarHBondContact CZ3-O 3.49Å; W154-E191 HydrophobicContact CH2-CB 3.99Å; W154-E191 HydrophobicContact CH2-CG 3.82Å; W154-E191 WeakPolarHBondContact CH2-OE2 3.45Å; W154-E191 HydrophobicContact CZ3-CB 4.47Å; W154-E191 HydrophobicContact CZ3-CG 4.46Å; W154-V192 HydrophobicContact CE3-CB 4.11Å; W154-V192 HydrophobicContact CZ3-CB 3.8Å
155	D	97.3	Very high	97.1	Very high	123 Å²	123	69.8 Å²	69.8	66%	0.658	37%	0.368	S	S	*	.	H	α-helix	trans	-55.2	-43.2	-177.2	-61.3	-31.8	0	0	0	113.1	K153 S159	K153-D155 PolarHBondContact O-N 3.38Å; D155-S159 VanDerWaalsContact O-CB 3.32Å; D155-S159 WeakPolarHBondContact O-CB 3.43Å; D155-S159 PolarHBondContact O-N 3.49Å; D155-S159 VanDerWaalsContact O-N 3.16Å; D155-S159 PolarHBondContact O-OG 2.92Å
156	K	97.4	Very high	97.1	Very high	132 Å²	132	68.1 Å²	68.1	57%	0.574	36%	0.359	S	S	*	.	H	α-helix	trans	-75.2	-35.9	179.5	-68.2	-171.9	177.7	-175.8	0	112	K153 W154 S159 S160 E163	K153-K156 PolarHBondContact O-N 3.08Å; W154-K156 VanDerWaalsContact C-N 3.3Å; W154-K156 PolarHBondContact O-N 3.4Å; K156-S159 PolarHBondContact O-N 2.84Å; K156-S160 WeakPolarHBondContact O-CA 3.35Å; K156-S160 WeakPolarHBondContact O-CB 3.44Å; K156-S160 PolarHBondContact O-N 3.1Å; K156-E163 HydrophobicContact CB-CG 4.32Å
157	F	97.9	Very high	97.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-66.1	-43.1	179.6	-176	-98.4	0	0	0	111.5	A152 K153 W154 L164 F167 V179 V192 R195 V196	A152-F157 HydrophobicContact CB-CB 4.15Å; A152-F157 HydrophobicContact CB-CD2 3.7Å; A152-F157 HydrophobicContact CB-CG 4.24Å; K153-F157 WeakPolarHBondContact O-CB 3.48Å; K153-F157 PolarHBondContact O-N 2.88Å; W154-F157 WeakPolarHBondContact O-CB 3.48Å; W154-F157 PolarHBondContact O-N 2.86Å; F157-L164 HydrophobicContact CE2-CB 4.43Å; F157-L164 HydrophobicContact CE2-CD1 3.67Å; F157-L164 HydrophobicContact CZ-CD1 3.61Å; F157-F167 HydrophobicContact CD2-CB 4.21Å; F157-F167 HydrophobicContact CD2-CD2 4.42Å; F157-F167 HydrophobicContact CD2-CG 4.3Å; F157-F167 HydrophobicContact CE2-CB 3.67Å; F157-F167 AromaticContact CE2-CD1 3.74Å; F157-F167 HydrophobicContact CE2-CD1 3.74Å; F157-F167 AromaticContact CE2-CD2 3.81Å; F157-F167 HydrophobicContact CE2-CD2 3.81Å; F157-F167 HydrophobicContact CE2-CE1 4.34Å; F157-F167 HydrophobicContact CE2-CE2 4.39Å; F157-F167 AromaticContact CE2-CG 3.46Å; F157-F167 HydrophobicContact CE2-CG 3.46Å; F157-F167 VanDerWaalsContact CE2-CG 3.46Å; F157-F167 HydrophobicContact CZ-CD1 4.1Å; F157-F167 HydrophobicContact CZ-CD2 4.48Å; F157-F167 HydrophobicContact CZ-CE1 4.31Å; F157-F167 HydrophobicContact CZ-CG 4.22Å; F157-V179 HydrophobicContact CB-CG1 4.25Å; F157-V179 HydrophobicContact CD1-CG1 4.36Å; F157-V179 HydrophobicContact CD1-CG2 4.28Å; F157-V179 HydrophobicContact CD2-CG2 4.32Å; F157-V179 HydrophobicContact CE1-CG2 4.3Å; F157-V179 HydrophobicContact CE2-CG2 4.34Å; F157-V179 HydrophobicContact CG-CG1 4.26Å; F157-V179 HydrophobicContact CG-CG2 4.27Å; F157-V179 HydrophobicContact CZ-CG2 4.31Å; F157-V192 HydrophobicContact CD1-CG2 3.66Å; F157-V192 HydrophobicContact CE1-CG2 3.46Å; F157-V192 VanDerWaalsContact CE1-CG2 3.46Å; F157-V192 HydrophobicContact CZ-CG2 4.44Å; F157-R195 HydrophobicContact CD1-CG 3.96Å; F157-R195 HydrophobicContact CE1-CB 3.95Å; F157-R195 HydrophobicContact CE1-CG 3.56Å; F157-R195 HydrophobicContact CZ-CG 4.21Å; F157-R195 PolarHBondContact O-NE 3.38Å; F157-R195 VanDerWaalsContact O-NE 3.09Å; F157-V196 HydrophobicContact CE1-CG2 4.27Å; F157-V196 HydrophobicContact CZ-CG2 3.65Å
158	M	98.3	Very high	97.3	Very high	51 Å²	51	61.8 Å²	61.8	25%	0.251	32%	0.319	S	S	.	.	H	α-helix	trans	-69.2	-37.6	175.5	-63.5	-50.3	-59.1	0	0	112.3	W154 E191 R195	W154-M158 HydrophobicContact CD2-CG 3.94Å; W154-M158 HydrophobicContact CE3-CG 3.93Å; W154-M158 HydrophobicContact CE3-SD 4.27Å; W154-M158 HydrophobicContact CH2-CG 4.22Å; W154-M158 HydrophobicContact CH2-SD 4.39Å; W154-M158 HydrophobicContact CZ2-CG 4.17Å; W154-M158 HydrophobicContact CZ3-CG 4.09Å; W154-M158 HydrophobicContact CZ3-SD 4.05Å; W154-M158 WeakPolarHBondContact O-CG 3.39Å; W154-M158 PolarHBondContact O-N 2.86Å; M158-E191 HydrophobicContact CE-CG 3.5Å; M158-E191 VanDerWaalsContact CE-CG 3.5Å; M158-E191 HydrophobicContact SD-CG 4.39Å; M158-R195 HydrophobicContact CE-CB 3.89Å; M158-R195 HydrophobicContact CE-CG 4.22Å; M158-R195 HydrophobicContact SD-CB 3.78Å; M158-R195 HydrophobicContact SD-CG 3.9Å
159	S	97.6	Very high	97.4	Very high	98 Å²	98	56 Å²	56	69%	0.685	30%	0.301	S	S	*	.	H	α-helix	trans	-94.4	-10.5	-175.1	65.3	0	0	0	0	116.8	D155 K156	D155-S159 VanDerWaalsContact O-CB 3.32Å; D155-S159 WeakPolarHBondContact O-CB 3.43Å; D155-S159 PolarHBondContact O-N 3.49Å; D155-S159 VanDerWaalsContact O-N 3.16Å; D155-S159 PolarHBondContact O-OG 2.92Å; K156-S159 PolarHBondContact O-N 2.84Å
160	S	98	Very high	97.6	Very high	36 Å²	36	55.6 Å²	55.6	25%	0.252	30%	0.299	S	S	.	.			trans	-130.3	120.3	-172.8	-168.6	0	0	0	0	114.3	K156 S162 E163 L164 R195	K156-S160 WeakPolarHBondContact O-CA 3.35Å; K156-S160 WeakPolarHBondContact O-CB 3.44Å; K156-S160 PolarHBondContact O-N 3.1Å; S160-S162 VanDerWaalsContact C-N 3.26Å; S160-S162 PolarHBondContact O-N 3.41Å; S160-S162 PolarHBondContact OG-N 3Å; S160-S162 PolarHBondContact OG-OG 3.24Å; S160-E163 PolarHBondContact O-N 3.25Å; S160-L164 PolarHBondContact O-N 3.25Å; S160-L164 VanDerWaalsContact O-N 3.09Å; S160-R195 PolarHBondContact O-NH2 3.42Å; S160-R195 VanDerWaalsContact O-NH2 3.17Å
161	D	98.1	Very high	97.9	Very high	92 Å²	92	52 Å²	52	49%	0.492	27%	0.273	S	S	.	.	H	α-helix	trans	-65.1	-27.2	170.3	-77.8	-16.6	0	0	0	113.3	K165 R195 F404	D161-K165 VanDerWaalsContact O-CB 3.26Å; D161-K165 WeakPolarHBondContact O-CB 3.42Å; D161-K165 PolarHBondContact O-N 2.94Å; D161-R195 IonicContact OD1-CZ 3.74Å; D161-R195 VanDerWaalsContact OD1-CZ 3.26Å; D161-R195 IonicContact OD1-NH1 3.55Å; D161-R195 PolarHBondContact OD1-NH1 2.65Å; D161-R195 IonicContact OD1-NH2 2.68Å; D161-R195 PolarHBondContact OD1-NH2 2.83Å; D161-F404 HydrophobicContact CB-CE1 3.81Å; D161-F404 HydrophobicContact CB-CZ 4.29Å
162	S	97.6	Very high	97.9	Very high	85 Å²	85	51.4 Å²	51.4	59%	0.594	27%	0.266	S	S	*	.	H	α-helix	trans	-69.4	-33.9	174	67.2	0	0	0	0	112.6	S160 K166	S160-S162 VanDerWaalsContact C-N 3.26Å; S160-S162 PolarHBondContact O-N 3.41Å; S160-S162 PolarHBondContact OG-N 3Å; S160-S162 PolarHBondContact OG-OG 3.24Å; S162-K166 VanDerWaalsContact O-CB 3.32Å; S162-K166 WeakPolarHBondContact O-CB 3.36Å; S162-K166 PolarHBondContact O-N 3.41Å; S162-K166 VanDerWaalsContact O-N 3.08Å
163	E	97.9	Very high	97.9	Very high	32 Å²	32	53.1 Å²	53.1	15%	0.15	28%	0.275	C	S	.	.	H	α-helix	trans	-76	-38.9	175.7	-160.3	68.1	-140.5	0	0	110.6	A152 K156 S160 K166 F167	A152-E163 HydrophobicContact CB-CG 4.09Å; K156-E163 HydrophobicContact CB-CG 4.32Å; S160-E163 PolarHBondContact O-N 3.25Å; E163-K166 PolarHBondContact O-N 3.48Å; E163-K166 IonicContact OE1-NZ 3.23Å; E163-K166 PolarHBondContact OE1-NZ 3.17Å; E163-K166 IonicContact OE2-NZ 2.75Å; E163-F167 WeakPolarHBondContact O-CB 3.34Å; E163-F167 PolarHBondContact O-N 3.05Å
164	L	98.3	Very high	97.9	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-46.3	171.3	176.8	60.8	0	0	0	111.9	F157 S160 K166 F167 L168 R195 V196 F404	F157-L164 HydrophobicContact CE2-CB 4.43Å; F157-L164 HydrophobicContact CE2-CD1 3.67Å; F157-L164 HydrophobicContact CZ-CD1 3.61Å; S160-L164 PolarHBondContact O-N 3.25Å; S160-L164 VanDerWaalsContact O-N 3.09Å; L164-K166 VanDerWaalsContact C-N 3.33Å; L164-K166 PolarHBondContact O-N 3.26Å; L164-F167 HydrophobicContact CD1-CD1 4.31Å; L164-F167 WeakPolarHBondContact O-CB 3.48Å; L164-F167 PolarHBondContact O-N 3.32Å; L164-L168 HydrophobicContact CD1-CD1 4.07Å; L164-L168 HydrophobicContact CD1-CG 4.03Å; L164-L168 HydrophobicContact CG-CD1 3.98Å; L164-L168 HydrophobicContact CG-CG 4.39Å; L164-L168 WeakPolarHBondContact O-CB 3.33Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.35Å; L164-R195 VanDerWaalsContact CD2-O 3.28Å; L164-R195 WeakPolarHBondContact CD2-O 3.23Å; L164-V196 HydrophobicContact CD1-CG2 4.35Å; L164-F404 HydrophobicContact CD2-CE2 3.64Å; L164-F404 HydrophobicContact CD2-CZ 3.83Å; L164-F404 HydrophobicContact CG-CE2 3.98Å; L164-F404 HydrophobicContact CG-CZ 4.35Å
165	K	98.2	Very high	98	Very high	77 Å²	77	48.8 Å²	48.8	34%	0.335	26%	0.257	S	S	.	.	H	α-helix	trans	-57.4	-45.6	175.5	175.9	172.5	179.7	161	0	111.6	D161 L168 Q169 F404 L406	D161-K165 VanDerWaalsContact O-CB 3.26Å; D161-K165 WeakPolarHBondContact O-CB 3.42Å; D161-K165 PolarHBondContact O-N 2.94Å; K165-L168 PolarHBondContact O-N 3.3Å; K165-Q169 WeakPolarHBondContact O-CB 3.47Å; K165-Q169 PolarHBondContact O-N 2.84Å; K165-F404 HydrophobicContact CB-CB 4.19Å; K165-F404 HydrophobicContact CB-CD1 4.19Å; K165-F404 HydrophobicContact CB-CG 4.1Å; K165-F404 HydrophobicContact CD-CB 4.05Å; K165-F404 WeakPolarHBondContact CE-O 3.21Å; K165-F404 HydrophobicContact CG-CB 3.97Å; K165-F404 HydrophobicContact CG-CG 4.43Å; K165-F404 PolarHBondContact NZ-O 3.04Å; K165-L406 HydrophobicContact CG-CD1 4.31Å; K165-L406 HydrophobicContact CG-CD2 4.18Å; K165-L406 HydrophobicContact CG-CG 4.36Å
166	K	97.9	Very high	98	Very high	83 Å²	83	43 Å²	43	36%	0.361	23%	0.225	S	C	.	.	H	α-helix	trans	-64.6	-40.4	177.5	176.6	-176	159.1	-143.7	0	112	S162 E163 L164 Q169 N170	S162-K166 VanDerWaalsContact O-CB 3.32Å; S162-K166 WeakPolarHBondContact O-CB 3.36Å; S162-K166 PolarHBondContact O-N 3.41Å; S162-K166 VanDerWaalsContact O-N 3.08Å; E163-K166 PolarHBondContact O-N 3.48Å; E163-K166 IonicContact OE1-NZ 3.23Å; E163-K166 PolarHBondContact OE1-NZ 3.17Å; E163-K166 IonicContact OE2-NZ 2.75Å; L164-K166 VanDerWaalsContact C-N 3.33Å; L164-K166 PolarHBondContact O-N 3.26Å; K166-Q169 PolarHBondContact O-N 3Å; K166-N170 VanDerWaalsContact O-CG 3.28Å; K166-N170 PolarHBondContact O-N 3.49Å; K166-N170 PolarHBondContact O-ND2 2.71Å
167	F	98.4	Very high	98.1	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-49.5	173.1	169.7	-84.4	0	0	0	111.4	A152 F157 E163 L164 Q169 N170 Y171 A177 V179 V196 F368	A152-F167 HydrophobicContact CB-CD2 4.33Å; F157-F167 HydrophobicContact CD2-CB 4.21Å; F157-F167 HydrophobicContact CD2-CD2 4.42Å; F157-F167 HydrophobicContact CD2-CG 4.3Å; F157-F167 HydrophobicContact CE2-CB 3.67Å; F157-F167 AromaticContact CE2-CD1 3.74Å; F157-F167 HydrophobicContact CE2-CD1 3.74Å; F157-F167 AromaticContact CE2-CD2 3.81Å; F157-F167 HydrophobicContact CE2-CD2 3.81Å; F157-F167 HydrophobicContact CE2-CE1 4.34Å; F157-F167 HydrophobicContact CE2-CE2 4.39Å; F157-F167 AromaticContact CE2-CG 3.46Å; F157-F167 HydrophobicContact CE2-CG 3.46Å; F157-F167 VanDerWaalsContact CE2-CG 3.46Å; F157-F167 HydrophobicContact CZ-CD1 4.1Å; F157-F167 HydrophobicContact CZ-CD2 4.48Å; F157-F167 HydrophobicContact CZ-CE1 4.31Å; F157-F167 HydrophobicContact CZ-CG 4.22Å; E163-F167 WeakPolarHBondContact O-CB 3.34Å; E163-F167 PolarHBondContact O-N 3.05Å; L164-F167 HydrophobicContact CD1-CD1 4.31Å; L164-F167 WeakPolarHBondContact O-CB 3.48Å; L164-F167 PolarHBondContact O-N 3.32Å; F167-Q169 VanDerWaalsContact C-N 3.34Å; F167-Q169 PolarHBondContact O-N 2.97Å; F167-N170 PolarHBondContact O-N 2.72Å; F167-Y171 WeakPolarHBondContact O-CB 3.46Å; F167-Y171 PolarHBondContact O-N 2.61Å; F167-A177 HydrophobicContact CD2-CB 3.75Å; F167-A177 HydrophobicContact CE1-CB 4.36Å; F167-A177 HydrophobicContact CE2-CB 3.38Å; F167-A177 HydrophobicContact CG-CB 4.37Å; F167-A177 HydrophobicContact CZ-CB 3.71Å; F167-V179 HydrophobicContact CD2-CG2 4.08Å; F167-V179 HydrophobicContact CE2-CG2 3.68Å; F167-V179 HydrophobicContact CZ-CG2 4.46Å; F167-V196 HydrophobicContact CD1-CG2 4.34Å; F167-V196 HydrophobicContact CE1-CG1 4.47Å; F167-V196 HydrophobicContact CE1-CG2 3.63Å; F167-V196 HydrophobicContact CZ-CG2 4.18Å; F167-F368 AromaticContact CE2-CD2 3.99Å; F167-F368 HydrophobicContact CE2-CD2 3.99Å; F167-F368 HydrophobicContact CE2-CE2 4.37Å; F167-F368 HydrophobicContact CZ-CB 4.05Å; F167-F368 HydrophobicContact CZ-CD1 4.26Å; F167-F368 AromaticContact CZ-CD2 3.5Å; F167-F368 HydrophobicContact CZ-CD2 3.5Å; F167-F368 VanDerWaalsContact CZ-CD2 3.5Å; F167-F368 AromaticContact CZ-CE2 3.93Å; F167-F368 HydrophobicContact CZ-CE2 3.93Å; F167-F368 AromaticContact CZ-CG 3.69Å; F167-F368 HydrophobicContact CZ-CG 3.69Å; F167-F368 HydrophobicContact CZ-CZ 4.48Å
168	L	98.3	Very high	98.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.2	-41.2	177.5	-73.3	170.4	0	0	0	111.6	L164 K165 Y171 L172 V196 V397 A401 F404 L406	L164-L168 HydrophobicContact CD1-CD1 4.07Å; L164-L168 HydrophobicContact CD1-CG 4.03Å; L164-L168 HydrophobicContact CG-CD1 3.98Å; L164-L168 HydrophobicContact CG-CG 4.39Å; L164-L168 WeakPolarHBondContact O-CB 3.33Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.35Å; K165-L168 PolarHBondContact O-N 3.3Å; L168-Y171 PolarHBondContact O-N 2.67Å; L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.41Å; L168-L172 PolarHBondContact O-N 3.47Å; L168-V196 HydrophobicContact CD2-CG1 4.19Å; L168-V397 HydrophobicContact CD2-CG1 3.96Å; L168-A401 HydrophobicContact CB-CB 4.49Å; L168-A401 HydrophobicContact CD1-CB 4.49Å; L168-F404 HydrophobicContact CD1-CD2 3.62Å; L168-F404 HydrophobicContact CD1-CE2 3.93Å; L168-L406 HydrophobicContact CB-CD1 3.77Å
169	Q	97.7	Very high	98.1	Very high	89 Å²	89	35.6 Å²	35.6	42%	0.416	19%	0.193	S	C	.	.	H	α-helix	trans	-61.5	-45.8	175.4	-175.6	177.8	-2.2	0	0	111.9	K165 K166 F167 L172 L173 L406	K165-Q169 WeakPolarHBondContact O-CB 3.47Å; K165-Q169 PolarHBondContact O-N 2.84Å; K166-Q169 PolarHBondContact O-N 3Å; F167-Q169 VanDerWaalsContact C-N 3.34Å; F167-Q169 PolarHBondContact O-N 2.97Å; Q169-L172 PolarHBondContact O-N 3.31Å; Q169-L173 HydrophobicContact CG-CD1 4.09Å; Q169-L173 WeakPolarHBondContact O-CB 3.03Å; Q169-L173 VanDerWaalsContact O-CG 3.27Å; Q169-L173 WeakPolarHBondContact O-CG 3.39Å; Q169-L173 PolarHBondContact O-N 3.02Å; Q169-L406 HydrophobicContact CB-CD1 4.07Å; Q169-L406 HydrophobicContact CB-CD2 3.97Å; Q169-L406 HydrophobicContact CG-CD2 4.19Å
170	N	97.4	Very high	98.1	Very high	32 Å²	32	32.3 Å²	32.3	17%	0.171	17%	0.167	C	C	.	.	H	α-helix	trans	-65.4	-41.6	176.1	-70.3	-25.2	0	0	0	111.7	I149 K166 F167 L173 Y174	I149-N170 HydrophobicContact CG2-CB 4.05Å; K166-N170 VanDerWaalsContact O-CG 3.28Å; K166-N170 PolarHBondContact O-N 3.49Å; K166-N170 PolarHBondContact O-ND2 2.71Å; F167-N170 PolarHBondContact O-N 2.72Å; N170-L173 PolarHBondContact O-N 2.86Å; N170-Y174 WeakPolarHBondContact O-CD2 3.33Å; N170-Y174 PolarHBondContact O-N 3.34Å
171	Y	98.3	Very high	98.1	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-59	-47.1	175.5	171	-95.5	0	0	0	111.7	F167 L168 G175 A177 I241 F368 D370 V397	F167-Y171 WeakPolarHBondContact O-CB 3.46Å; F167-Y171 PolarHBondContact O-N 2.61Å; L168-Y171 PolarHBondContact O-N 2.67Å; Y171-G175 WeakPolarHBondContact O-CA 3.28Å; Y171-G175 PolarHBondContact O-N 3.44Å; Y171-A177 HydrophobicContact CD2-CB 4.45Å; Y171-I241 HydrophobicContact CE1-CD1 3.99Å; Y171-I241 HydrophobicContact CE2-CD1 4.32Å; Y171-I241 HydrophobicContact CE2-CG2 4.08Å; Y171-I241 VanDerWaalsContact OH-CD1 3.3Å; Y171-I241 WeakPolarHBondContact OH-CD1 3.41Å; Y171-I241 VanDerWaalsContact OH-CG1 3.28Å; Y171-I241 WeakPolarHBondContact OH-CG1 3.42Å; Y171-F368 HydrophobicContact CD2-CB 4.42Å; Y171-D370 HydrophobicContact CE2-CB 4.04Å; Y171-D370 WeakPolarHBondContact OH-CA 3.45Å; Y171-D370 VanDerWaalsContact OH-CB 3.27Å; Y171-D370 WeakPolarHBondContact OH-CB 3.27Å; Y171-V397 HydrophobicContact CD1-CG1 4.25Å; Y171-V397 HydrophobicContact CE1-CG1 3.96Å
172	L	97.8	Very high	98.1	Very high	13 Å²	13	31.4 Å²	31.4	7%	0.068	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-46.1	177.8	-70.4	168.9	0	0	0	112.1	L168 Q169 Y174 L398 A401 L406 A408	L168-L172 VanDerWaalsContact O-CG 3.29Å; L168-L172 WeakPolarHBondContact O-CG 3.41Å; L168-L172 PolarHBondContact O-N 3.47Å; Q169-L172 PolarHBondContact O-N 3.31Å; L172-Y174 PolarHBondContact O-N 3.28Å; L172-L398 HydrophobicContact CD2-CD2 3.67Å; L172-A401 HydrophobicContact CD1-CB 3.73Å; L172-L406 HydrophobicContact CD1-CB 4.23Å; L172-L406 HydrophobicContact CD1-CD1 4.27Å; L172-A408 HydrophobicContact CD1-CB 3.63Å; L172-A408 HydrophobicContact CD2-CB 3.99Å; L172-A408 HydrophobicContact CG-CB 4.49Å
173	L	97.8	Very high	98.2	Very high	39 Å²	39	30.3 Å²	30.3	20%	0.204	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-44.3	-178.3	-74.1	171	0	0	0	112	R136 I137 Q169 N170 R373	R136-L173 WeakPolarHBondContact CA-O 3.43Å; I137-L173 HydrophobicContact CD1-CD2 4.32Å; I137-L173 HydrophobicContact CG1-CD2 4.32Å; I137-L173 PolarHBondContact N-O 2.97Å; Q169-L173 HydrophobicContact CG-CD1 4.09Å; Q169-L173 WeakPolarHBondContact O-CB 3.03Å; Q169-L173 VanDerWaalsContact O-CG 3.27Å; Q169-L173 WeakPolarHBondContact O-CG 3.39Å; Q169-L173 PolarHBondContact O-N 3.02Å; N170-L173 PolarHBondContact O-N 2.86Å; L173-R373 PolarHBondContact O-NH1 3.44Å
174	Y	98.5	Very high	98.1	Very high	26 Å²	26	31 Å²	31	10%	0.102	16%	0.162	C	C	.	.	H	α-helix	trans	-112.7	-7	-170.3	-62.2	-91.1	0	0	0	114.8	I137 W139 Y144 A147 I149 N170 L172 I176	I137-Y174 HydrophobicContact CB-CD1 4.26Å; I137-Y174 HydrophobicContact CB-CE1 3.88Å; I137-Y174 HydrophobicContact CD1-CE1 4.18Å; I137-Y174 HydrophobicContact CD1-CE2 4.03Å; I137-Y174 VanDerWaalsContact CD1-OH 3.28Å; I137-Y174 WeakPolarHBondContact CD1-OH 3.29Å; I137-Y174 HydrophobicContact CG2-CD1 4.29Å; I137-Y174 HydrophobicContact CG2-CE1 3.65Å; W139-Y174 AromaticContact CD1-CD1 3.8Å; W139-Y174 HydrophobicContact CG-CD1 4.45Å; W139-Y174 PolarHBondContact NE1-O 3.34Å; Y144-Y174 AromaticContact CD2-CD1 3.83Å; Y144-Y174 HydrophobicContact CD2-CD1 3.83Å; Y144-Y174 HydrophobicContact CD2-CG 4.29Å; Y144-Y174 HydrophobicContact CE2-CD1 4.12Å; Y144-Y174 HydrophobicContact CE2-CG 4.11Å; A147-Y174 HydrophobicContact CB-CE1 3.99Å; A147-Y174 WeakPolarHBondContact CB-OH 3.35Å; I149-Y174 HydrophobicContact CD1-CD1 3.82Å; I149-Y174 HydrophobicContact CD1-CD2 3.27Å; I149-Y174 HydrophobicContact CD1-CE1 3.93Å; I149-Y174 HydrophobicContact CD1-CE2 3.4Å; I149-Y174 HydrophobicContact CD1-CG 3.49Å; I149-Y174 VanDerWaalsContact CD1-CG 3.49Å; I149-Y174 HydrophobicContact CG1-CD2 4.42Å; I149-Y174 HydrophobicContact CG1-CE2 4.15Å; N170-Y174 WeakPolarHBondContact O-CD2 3.33Å; N170-Y174 PolarHBondContact O-N 3.34Å; L172-Y174 PolarHBondContact O-N 3.28Å; Y174-I176 PolarHBondContact O-N 2.73Å
175	G	98.4	Very high	98.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	68.7	5	-176.2	0	0	0	0	0	114.9	Y171 D370	Y171-G175 WeakPolarHBondContact O-CA 3.28Å; Y171-G175 PolarHBondContact O-N 3.44Å; G175-D370 WeakPolarHBondContact O-CB 3.38Å; G175-D370 PolarHBondContact O-N 3.21Å
176	I	98.5	Very high	98.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.3	172.5	49.3	173.2	0	0	0	111.1	W139 Y144 Y174 L258 L357 I367 F368 I369 V374	W139-I176 HydrophobicContact CH2-CD1 4.21Å; W139-I176 HydrophobicContact CZ2-CD1 3.85Å; W139-I176 HydrophobicContact CZ2-CG1 4.2Å; Y144-I176 HydrophobicContact CD2-CD1 4.09Å; Y144-I176 HydrophobicContact CD2-CG1 4.37Å; Y144-I176 HydrophobicContact CE1-CD1 4.13Å; Y144-I176 HydrophobicContact CE2-CD1 3.47Å; Y144-I176 VanDerWaalsContact CE2-CD1 3.47Å; Y144-I176 HydrophobicContact CE2-CG1 3.5Å; Y144-I176 VanDerWaalsContact CE2-CG1 3.5Å; Y144-I176 VanDerWaalsContact CZ-CD1 3.49Å; Y174-I176 PolarHBondContact O-N 2.73Å; I176-L258 HydrophobicContact CD1-CD1 3.82Å; I176-L258 HydrophobicContact CG2-CD1 4.43Å; I176-L258 HydrophobicContact CG2-CD2 4.31Å; I176-L357 HydrophobicContact CD1-CD2 3.77Å; I176-I367 HydrophobicContact CG2-CD1 4.4Å; I176-F368 WeakPolarHBondContact CA-O 3.49Å; I176-I369 HydrophobicContact CG2-CB 4.34Å; I176-I369 HydrophobicContact CG2-CG1 4.21Å; I176-I369 HydrophobicContact CG2-CG2 4.08Å; I176-V374 HydrophobicContact CG2-CB 4.29Å; I176-V374 HydrophobicContact CG2-CG1 3.92Å; I176-V374 HydrophobicContact CG2-CG2 4.29Å
177	A	98.2	Very high	98.1	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.033	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	158.6	172.9	0	0	0	0	0	111.4	F167 Y171 F368	F167-A177 HydrophobicContact CD2-CB 3.75Å; F167-A177 HydrophobicContact CE1-CB 4.36Å; F167-A177 HydrophobicContact CE2-CB 3.38Å; F167-A177 HydrophobicContact CG-CB 4.37Å; F167-A177 HydrophobicContact CZ-CB 3.71Å; Y171-A177 HydrophobicContact CD2-CB 4.45Å; A177-F368 PolarHBondContact N-O 3.41Å; A177-F368 PolarHBondContact O-N 3.45Å
178	F	98.3	Very high	98.1	Very high	24 Å²	24	33.8 Å²	33.8	11%	0.105	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.2	-173.4	-63.9	-89.9	0	0	0	111.5	A151 A152 L258 V359 L361 K365 V366 I367	A151-F178 WeakPolarHBondContact CA-O 3.38Å; A151-F178 HydrophobicContact CB-CB 3.68Å; A152-F178 PolarHBondContact N-O 3.21Å; F178-L258 HydrophobicContact CZ-CD1 4.35Å; F178-V359 HydrophobicContact CE1-CG1 4Å; F178-V359 HydrophobicContact CZ-CG1 4.14Å; F178-V359 HydrophobicContact CZ-CG2 4.26Å; F178-L361 HydrophobicContact CE1-CD2 4.43Å; F178-K365 HydrophobicContact CD1-CD 4.11Å; F178-K365 HydrophobicContact CD1-CG 4.18Å; F178-K365 HydrophobicContact CE1-CD 4.48Å; F178-V366 VanDerWaalsContact CA-O 3.31Å; F178-V366 WeakPolarHBondContact CA-O 3.31Å; F178-I367 HydrophobicContact CD1-CB 3.8Å; F178-I367 HydrophobicContact CD1-CD1 4.38Å; F178-I367 HydrophobicContact CD1-CG1 3.91Å; F178-I367 HydrophobicContact CE1-CB 3.67Å; F178-I367 HydrophobicContact CE1-CD1 3.5Å; F178-I367 VanDerWaalsContact CE1-CD1 3.5Å; F178-I367 HydrophobicContact CE1-CG1 3.52Å; F178-I367 HydrophobicContact CE2-CD1 4.48Å; F178-I367 HydrophobicContact CZ-CD1 3.55Å; F178-I367 HydrophobicContact CZ-CG1 3.88Å
179	V	98.6	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.9	164.3	-168.5	0	0	0	0	108	A152 F157 F167 V182 V192 V366 F368	A152-V179 HydrophobicContact CB-CG2 4.38Å; A152-V179 WeakPolarHBondContact O-CA 3.38Å; F157-V179 HydrophobicContact CB-CG1 4.25Å; F157-V179 HydrophobicContact CD1-CG1 4.36Å; F157-V179 HydrophobicContact CD1-CG2 4.28Å; F157-V179 HydrophobicContact CD2-CG2 4.32Å; F157-V179 HydrophobicContact CE1-CG2 4.3Å; F157-V179 HydrophobicContact CE2-CG2 4.34Å; F157-V179 HydrophobicContact CG-CG1 4.26Å; F157-V179 HydrophobicContact CG-CG2 4.27Å; F157-V179 HydrophobicContact CZ-CG2 4.31Å; F167-V179 HydrophobicContact CD2-CG2 4.08Å; F167-V179 HydrophobicContact CE2-CG2 3.68Å; F167-V179 HydrophobicContact CZ-CG2 4.46Å; V179-V182 HydrophobicContact CB-CG2 4.06Å; V179-V182 HydrophobicContact CG1-CG2 3.75Å; V179-V192 HydrophobicContact CB-CG2 4.02Å; V179-V192 HydrophobicContact CG1-CG2 4Å; V179-V192 HydrophobicContact CG2-CG2 3.75Å; V179-V366 PolarHBondContact N-O 2.86Å; V179-V366 PolarHBondContact O-N 2.92Å; V179-F368 HydrophobicContact CG2-CE2 4.08Å
180	D	98.1	Very high	98.1	Very high	29 Å²	29	31.5 Å²	31.5	16%	0.155	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	162.5	175.3	-76.3	-11.1	0	0	0	111	A151 A152 K153 W154 V182 G364 K365	A151-D180 HydrophobicContact CB-CB 4.35Å; A152-D180 PolarHBondContact O-N 2.91Å; K153-D180 HydrophobicContact CD-CB 3.7Å; K153-D180 IonicContact NZ-OD2 3.45Å; K153-D180 PolarHBondContact NZ-OD2 3.06Å; W154-D180 PolarHBondContact N-O 3.43Å; D180-V182 PolarHBondContact O-N 3.08Å; D180-G364 CarbonylContact C-O 3.59Å; D180-K365 WeakPolarHBondContact OD1-CE 3.45Å; D180-K365 IonicContact OD1-NZ 2.69Å; D180-K365 PolarHBondContact OD1-NZ 3.33Å
181	D	97.9	Very high	98.2	Very high	105 Å²	105	34.7 Å²	34.7	56%	0.561	19%	0.188	S	C	*	.	S	Bend	trans	63.6	24.2	173	-46.2	-39.7	0	0	0	113.4	K153 W154 G364	K153-D181 VanDerWaalsContact CD-OD2 3.23Å; K153-D181 WeakPolarHBondContact CD-OD2 3.39Å; K153-D181 WeakPolarHBondContact CE-OD2 3.4Å; K153-D181 IonicContact NZ-OD1 2.61Å; K153-D181 IonicContact NZ-OD2 3.67Å; K153-D181 PolarHBondContact NZ-OD2 3.09Å; W154-D181 WeakPolarHBondContact CB-O 3.44Å; D181-G364 PolarHBondContact N-O 3.2Å
182	V	98.5	Very high	98.2	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.03	19%	0.187	C	C	.	.			trans	-70	138	171.6	-174.8	0	0	0	0	109	W154 V179 D180 A184 A188 G364 V366	W154-V182 HydrophobicContact CB-CG2 4.25Å; W154-V182 HydrophobicContact CD2-CG1 4.47Å; W154-V182 HydrophobicContact CE3-CB 4.14Å; W154-V182 HydrophobicContact CE3-CG1 3.71Å; W154-V182 HydrophobicContact CE3-CG2 3.93Å; W154-V182 HydrophobicContact CZ3-CG1 3.86Å; V179-V182 HydrophobicContact CB-CG2 4.06Å; V179-V182 HydrophobicContact CG1-CG2 3.75Å; D180-V182 PolarHBondContact O-N 3.08Å; V182-A184 PolarHBondContact O-N 2.77Å; V182-A188 HydrophobicContact CG1-CB 4.02Å; V182-G364 PolarHBondContact N-O 3.27Å; V182-G364 VanDerWaalsContact N-O 3.13Å; V182-G364 WeakPolarHBondContact O-CA 3.31Å; V182-V366 HydrophobicContact CB-CG2 3.93Å; V182-V366 HydrophobicContact CG1-CG2 4Å; V182-V366 HydrophobicContact CG2-CB 4.41Å; V182-V366 HydrophobicContact CG2-CG2 3.66Å
183	P	98.3	Very high	98.2	Very high	61 Å²	61	33.9 Å²	33.9	40%	0.396	18%	0.184	S	C	.	.			trans	-56.5	130.8	170	-25	33.2	0	0	0	111.1	W154 T185 A188 H245	W154-P183 HydrophobicContact CZ2-CG 4.41Å; P183-T185 PolarHBondContact O-N 2.82Å; P183-A188 HydrophobicContact CB-CB 3.78Å; P183-A188 HydrophobicContact CG-CB 4.02Å; P183-A188 WeakPolarHBondContact O-CB 3.47Å; P183-H245 PolarHBondContact O-CE1 3.4Å; P183-H245 VanDerWaalsContact O-CE1 3.3Å
184	A	97.5	Very high	98.2	Very high	46 Å²	46	38.7 Å²	38.7	38%	0.38	20%	0.199	S	C	.	.	S	Bend	trans	-75.2	63.2	-174.9	0	0	0	0	0	112.6	V182 P363	V182-A184 PolarHBondContact O-N 2.77Å; A184-P363 HydrophobicContact CB-CB 4.11Å
185	T	97.8	Very high	98.2	Very high	58 Å²	58	40.1 Å²	40.1	36%	0.356	20%	0.204	S	C	.	.	S	Bend	trans	-136.2	162.8	-179.9	69.5	0	0	0	0	111.5	P183 E187 A188 T189	P183-T185 PolarHBondContact O-N 2.82Å; T185-E187 VanDerWaalsContact C-N 3.32Å; T185-E187 VanDerWaalsContact CB-OE2 3.31Å; T185-E187 WeakPolarHBondContact CB-OE2 3.31Å; T185-A188 WeakPolarHBondContact OG1-CB 3.32Å; T185-A188 PolarHBondContact OG1-N 2.85Å; T185-T189 PolarHBondContact O-N 2.56Å; T185-T189 PolarHBondContact O-OG1 2.83Å
186	V	97.9	Very high	98.2	Very high	34 Å²	34	40.5 Å²	40.5	21%	0.206	21%	0.207	C	C	.	.	H	α-helix	trans	-69.4	-37.9	177.6	-178.7	0	0	0	0	110.1	T189 E190 M207 L247 C388	V186-T189 CarbonylContact O-C 3.55Å; V186-T189 WeakPolarHBondContact O-CA 3.21Å; V186-T189 VanDerWaalsContact O-CB 3.31Å; V186-T189 WeakPolarHBondContact O-CB 3.2Å; V186-T189 PolarHBondContact O-N 2.94Å; V186-T189 VanDerWaalsContact O-N 3.13Å; V186-E190 PolarHBondContact O-N 2.99Å; V186-M207 HydrophobicContact CG1-CB 3.9Å; V186-M207 HydrophobicContact CG1-CE 4.25Å; V186-M207 HydrophobicContact CG1-CG 4.3Å; V186-L247 HydrophobicContact CG2-CD1 3.93Å; V186-C388 HydrophobicContact CG2-CB 3.94Å
187	E	98.3	Very high	98.1	Very high	135 Å²	135	41.2 Å²	41.2	63%	0.631	21%	0.212	S	C	*	.	H	α-helix	trans	-63.6	-47.6	-176.6	-61.3	70	-155.8	0	0	111.3	T185 T189 E190 E191	T185-E187 VanDerWaalsContact C-N 3.32Å; T185-E187 VanDerWaalsContact CB-OE2 3.31Å; T185-E187 WeakPolarHBondContact CB-OE2 3.31Å; E187-T189 VanDerWaalsContact C-N 3.27Å; E187-T189 PolarHBondContact O-N 2.93Å; E187-E190 PolarHBondContact O-N 3.32Å; E187-E191 PolarHBondContact O-N 3.46Å
188	A	98.3	Very high	98	Very high	6 Å²	6	46.2 Å²	46.2	5%	0.05	24%	0.238	C	C	.	.	H	α-helix	trans	-68.8	-27.8	175.1	0	0	0	0	0	112.2	W154 V182 P183 T185 E191 V192	W154-A188 HydrophobicContact CH2-CB 3.98Å; W154-A188 HydrophobicContact CZ3-CB 4.29Å; W154-A188 WeakPolarHBondContact CZ3-O 3.49Å; V182-A188 HydrophobicContact CG1-CB 4.02Å; P183-A188 HydrophobicContact CB-CB 3.78Å; P183-A188 HydrophobicContact CG-CB 4.02Å; P183-A188 WeakPolarHBondContact O-CB 3.47Å; T185-A188 WeakPolarHBondContact OG1-CB 3.32Å; T185-A188 PolarHBondContact OG1-N 2.85Å; A188-E191 PolarHBondContact O-N 3.44Å; A188-V192 PolarHBondContact O-N 3.22Å
189	T	98.3	Very high	98	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-40.7	172.4	-50.2	0	0	0	0	111.4	T185 V186 E187 V192 T193 M207 H245 C388	T185-T189 PolarHBondContact O-N 2.56Å; T185-T189 PolarHBondContact O-OG1 2.83Å; V186-T189 CarbonylContact O-C 3.55Å; V186-T189 WeakPolarHBondContact O-CA 3.21Å; V186-T189 VanDerWaalsContact O-CB 3.31Å; V186-T189 WeakPolarHBondContact O-CB 3.2Å; V186-T189 PolarHBondContact O-N 2.94Å; V186-T189 VanDerWaalsContact O-N 3.13Å; E187-T189 VanDerWaalsContact C-N 3.27Å; E187-T189 PolarHBondContact O-N 2.93Å; T189-V192 VanDerWaalsContact O-CG1 3.32Å; T189-V192 WeakPolarHBondContact O-CG1 3.28Å; T189-T193 WeakPolarHBondContact O-CB 3.3Å; T189-T193 PolarHBondContact O-N 3.47Å; T189-T193 VanDerWaalsContact O-N 3.17Å; T189-T193 PolarHBondContact O-OG1 2.87Å; T189-M207 HydrophobicContact CG2-CE 3.97Å; T189-H245 HydrophobicContact CG2-CB 3.82Å; T189-H245 PolarHBondContact OG1-ND1 2.9Å; T189-C388 PolarHBondContact OG1-SG 3.3Å
190	E	98.6	Very high	97.9	Very high	41 Å²	41	48.5 Å²	48.5	19%	0.192	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-41	171.8	172.5	155.1	-161.1	0	0	111.2	V186 E187 T193 R194 I199 R206 M207	V186-E190 PolarHBondContact O-N 2.99Å; E187-E190 PolarHBondContact O-N 3.32Å; E190-T193 PolarHBondContact O-N 3.34Å; E190-R194 HydrophobicContact CG-CG 4.24Å; E190-R194 WeakPolarHBondContact O-CB 3.44Å; E190-R194 WeakPolarHBondContact O-CG 3.24Å; E190-R194 PolarHBondContact O-N 3.44Å; E190-R194 IonicContact OE1-CZ 3.26Å; E190-R194 IonicContact OE1-NE 2.85Å; E190-R194 PolarHBondContact OE1-NE 2.7Å; E190-R194 IonicContact OE1-NH2 2.73Å; E190-R194 PolarHBondContact OE1-NH2 3.3Å; E190-I199 HydrophobicContact CB-CD1 4.41Å; E190-I199 HydrophobicContact CG-CD1 3.73Å; E190-R206 IonicContact OE1-CZ 3.68Å; E190-R206 IonicContact OE1-NE 3.63Å; E190-R206 PolarHBondContact OE1-NE 3.25Å; E190-R206 IonicContact OE1-NH2 3.36Å; E190-M207 HydrophobicContact CB-CE 4.09Å; E190-M207 HydrophobicContact CB-CG 4.09Å; E190-M207 HydrophobicContact CB-SD 3.85Å; E190-M207 HydrophobicContact CG-SD 4.37Å
191	E	98.4	Very high	97.8	Very high	98 Å²	98	53.3 Å²	53.3	46%	0.458	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-51.6	179.5	-178.1	174.8	-173.3	0	0	113.1	W154 M158 E187 A188 T193 R194 R195	W154-E191 HydrophobicContact CH2-CB 3.99Å; W154-E191 HydrophobicContact CH2-CG 3.82Å; W154-E191 WeakPolarHBondContact CH2-OE2 3.45Å; W154-E191 HydrophobicContact CZ3-CB 4.47Å; W154-E191 HydrophobicContact CZ3-CG 4.46Å; M158-E191 HydrophobicContact CE-CG 3.5Å; M158-E191 VanDerWaalsContact CE-CG 3.5Å; M158-E191 HydrophobicContact SD-CG 4.39Å; E187-E191 PolarHBondContact O-N 3.46Å; A188-E191 PolarHBondContact O-N 3.44Å; E191-T193 PolarHBondContact O-N 2.83Å; E191-R194 PolarHBondContact O-N 3.26Å; E191-R195 PolarHBondContact O-N 2.77Å
192	V	98.3	Very high	97.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.2	-34	175	66.9	0	0	0	0	111.5	W154 F157 V179 A188 T189 R195 V196 V366 F368	W154-V192 HydrophobicContact CE3-CB 4.11Å; W154-V192 HydrophobicContact CZ3-CB 3.8Å; F157-V192 HydrophobicContact CD1-CG2 3.66Å; F157-V192 HydrophobicContact CE1-CG2 3.46Å; F157-V192 VanDerWaalsContact CE1-CG2 3.46Å; F157-V192 HydrophobicContact CZ-CG2 4.44Å; V179-V192 HydrophobicContact CB-CG2 4.02Å; V179-V192 HydrophobicContact CG1-CG2 4Å; V179-V192 HydrophobicContact CG2-CG2 3.75Å; A188-V192 PolarHBondContact O-N 3.22Å; T189-V192 VanDerWaalsContact O-CG1 3.32Å; T189-V192 WeakPolarHBondContact O-CG1 3.28Å; V192-R195 WeakPolarHBondContact O-CB 3.39Å; V192-R195 PolarHBondContact O-N 3.3Å; V192-V196 PolarHBondContact O-N 3.04Å; V192-V366 HydrophobicContact CG1-CG1 4.27Å; V192-V366 HydrophobicContact CG1-CG2 4.23Å; V192-F368 HydrophobicContact CG1-CZ 4.3Å; V192-F368 HydrophobicContact CG2-CE2 4.34Å; V192-F368 HydrophobicContact CG2-CZ 4.27Å
193	T	98.2	Very high	97.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-72.3	-43.9	-179.3	-60.8	0	0	0	0	111.5	T189 E190 E191 R195 V196 S197 I199 V243 F368 L392	T189-T193 WeakPolarHBondContact O-CB 3.3Å; T189-T193 PolarHBondContact O-N 3.47Å; T189-T193 VanDerWaalsContact O-N 3.17Å; T189-T193 PolarHBondContact O-OG1 2.87Å; E190-T193 PolarHBondContact O-N 3.34Å; E191-T193 PolarHBondContact O-N 2.83Å; T193-R195 PolarHBondContact O-N 3.13Å; T193-V196 WeakPolarHBondContact O-CA 3.07Å; T193-V196 WeakPolarHBondContact O-CB 3.2Å; T193-V196 PolarHBondContact O-N 2.75Å; T193-S197 PolarHBondContact O-N 3.27Å; T193-I199 HydrophobicContact CG2-CD1 4.16Å; T193-I199 HydrophobicContact CG2-CG1 3.64Å; T193-V243 HydrophobicContact CG2-CG2 4.38Å; T193-F368 HydrophobicContact CG2-CE1 4.34Å; T193-L392 HydrophobicContact CG2-CD1 4.1Å; T193-L392 HydrophobicContact CG2-CD2 3.2Å; T193-L392 HydrophobicContact CG2-CG 4Å
194	R	98.2	Very high	96.9	Very high	140 Å²	140	49 Å²	49	53%	0.528	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-28	174.8	-76.5	175.9	176.2	-110.9	20.8	113.1	E190 E191 V196 S197 I199 R206	E190-R194 HydrophobicContact CG-CG 4.24Å; E190-R194 WeakPolarHBondContact O-CB 3.44Å; E190-R194 WeakPolarHBondContact O-CG 3.24Å; E190-R194 PolarHBondContact O-N 3.44Å; E190-R194 IonicContact OE1-CZ 3.26Å; E190-R194 IonicContact OE1-NE 2.85Å; E190-R194 PolarHBondContact OE1-NE 2.7Å; E190-R194 IonicContact OE1-NH2 2.73Å; E190-R194 PolarHBondContact OE1-NH2 3.3Å; E191-R194 PolarHBondContact O-N 3.26Å; R194-V196 PolarHBondContact O-N 3.23Å; R194-S197 WeakPolarHBondContact CA-O 3.27Å; R194-I199 HydrophobicContact CG-CD1 3.95Å; R194-R206 VanDerWaalsContact NH2-CZ 3.35Å
195	R	97.9	Very high	96.7	Very high	56 Å²	56	48 Å²	48	21%	0.211	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-26.3	170.7	177.6	58.6	176.5	143.7	-1.2	112.4	F157 M158 S160 D161 L164 E191 V192 T193	F157-R195 HydrophobicContact CD1-CG 3.96Å; F157-R195 HydrophobicContact CE1-CB 3.95Å; F157-R195 HydrophobicContact CE1-CG 3.56Å; F157-R195 HydrophobicContact CZ-CG 4.21Å; F157-R195 PolarHBondContact O-NE 3.38Å; F157-R195 VanDerWaalsContact O-NE 3.09Å; M158-R195 HydrophobicContact CE-CB 3.89Å; M158-R195 HydrophobicContact CE-CG 4.22Å; M158-R195 HydrophobicContact SD-CB 3.78Å; M158-R195 HydrophobicContact SD-CG 3.9Å; S160-R195 PolarHBondContact O-NH2 3.42Å; S160-R195 VanDerWaalsContact O-NH2 3.17Å; D161-R195 IonicContact OD1-CZ 3.74Å; D161-R195 VanDerWaalsContact OD1-CZ 3.26Å; D161-R195 IonicContact OD1-NH1 3.55Å; D161-R195 PolarHBondContact OD1-NH1 2.65Å; D161-R195 IonicContact OD1-NH2 2.68Å; D161-R195 PolarHBondContact OD1-NH2 2.83Å; L164-R195 VanDerWaalsContact CD2-O 3.28Å; L164-R195 WeakPolarHBondContact CD2-O 3.23Å; E191-R195 PolarHBondContact O-N 2.77Å; V192-R195 WeakPolarHBondContact O-CB 3.39Å; V192-R195 PolarHBondContact O-N 3.3Å; T193-R195 PolarHBondContact O-N 3.13Å
196	V	97.9	Very high	96.6	Very high	8 Å²	8	48.9 Å²	48.9	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-81.2	-57.9	170.7	177.4	0	0	0	0	111.1	F157 L164 F167 L168 V192 T193 R194 F368 L392 V397	F157-V196 HydrophobicContact CE1-CG2 4.27Å; F157-V196 HydrophobicContact CZ-CG2 3.65Å; L164-V196 HydrophobicContact CD1-CG2 4.35Å; F167-V196 HydrophobicContact CD1-CG2 4.34Å; F167-V196 HydrophobicContact CE1-CG1 4.47Å; F167-V196 HydrophobicContact CE1-CG2 3.63Å; F167-V196 HydrophobicContact CZ-CG2 4.18Å; L168-V196 HydrophobicContact CD2-CG1 4.19Å; V192-V196 PolarHBondContact O-N 3.04Å; T193-V196 WeakPolarHBondContact O-CA 3.07Å; T193-V196 WeakPolarHBondContact O-CB 3.2Å; T193-V196 PolarHBondContact O-N 2.75Å; R194-V196 PolarHBondContact O-N 3.23Å; V196-F368 HydrophobicContact CB-CE1 4.16Å; V196-F368 HydrophobicContact CG2-CD1 4.33Å; V196-F368 HydrophobicContact CG2-CE1 3.69Å; V196-F368 HydrophobicContact CG2-CZ 3.89Å; V196-L392 HydrophobicContact CB-CD1 4.39Å; V196-L392 HydrophobicContact CG1-CD1 4Å; V196-V397 HydrophobicContact CG1-CG2 3.75Å
197	S	96.4	Very high	96.6	Very high	15 Å²	15	48.9 Å²	48.9	11%	0.105	23%	0.232	C	C	.	.	S	Bend	trans	-172.3	-172.7	-172.5	-168	0	0	0	0	114.2	T193 R194 D396 V397	T193-S197 PolarHBondContact O-N 3.27Å; R194-S197 WeakPolarHBondContact CA-O 3.27Å; S197-D396 VanDerWaalsContact OG-C 3.29Å; S197-D396 WeakPolarHBondContact OG-CB 3.5Å; S197-V397 PolarHBondContact OG-N 3.16Å
198	L	96.4	Very high	96.3	Very high	110 Å²	110	43.5 Å²	43.5	58%	0.576	21%	0.206	S	C	*	.			trans	-71	122.6	177.6	-56.6	-174.7	0	0	0	112.5	R200 L392 D396	L198-R200 PolarHBondContact O-N 3.31Å; L198-L392 WeakPolarHBondContact O-CD2 3.26Å; L198-D396 HydrophobicContact CG-CB 4.4Å
199	I	98	Very high	95.9	Very high	14 Å²	14	45.9 Å²	45.9	7%	0.072	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	124.2	171.7	-64.5	162.3	0	0	0	109.8	E190 T193 R194 E201 R206 M207 C390 L392	E190-I199 HydrophobicContact CB-CD1 4.41Å; E190-I199 HydrophobicContact CG-CD1 3.73Å; T193-I199 HydrophobicContact CG2-CD1 4.16Å; T193-I199 HydrophobicContact CG2-CG1 3.64Å; R194-I199 HydrophobicContact CG-CD1 3.95Å; I199-E201 PolarHBondContact O-N 2.71Å; I199-R206 HydrophobicContact CG2-CG 3.81Å; I199-R206 VanDerWaalsContact CG2-O 3.24Å; I199-R206 WeakPolarHBondContact CG2-O 3.33Å; I199-M207 HydrophobicContact CD1-SD 3.81Å; I199-C390 HydrophobicContact CG2-CB 3.98Å; I199-L392 HydrophobicContact CB-CD2 4.43Å; I199-L392 HydrophobicContact CG1-CD2 3.96Å
200	R	97.3	Very high	95.1	Very high	58 Å²	58	46.9 Å²	46.9	22%	0.219	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	108.9	172.4	-170.8	-179.7	-167.3	169.9	13.2	109	L198 T202 E237 Y391 T393	L198-R200 PolarHBondContact O-N 3.31Å; R200-T202 HydrophobicContact CG-CG2 4.42Å; R200-E237 IonicContact CZ-OE2 2.73Å; R200-E237 PolarHBondContact NH1-O 3.06Å; R200-E237 IonicContact NH2-OE2 3.8Å; R200-E237 PolarHBondContact NH2-OE2 2.87Å; R200-Y391 PolarHBondContact N-O 2.98Å; R200-T393 HydrophobicContact CB-CG2 4.16Å; R200-T393 HydrophobicContact CG-CG2 4.29Å
201	E	96.6	Very high	94.2	Very high	130 Å²	130	46.9 Å²	46.9	61%	0.607	23%	0.229	S	C	*	.			trans	-70	139.4	170.3	-174.9	154.6	-162.9	0	0	110.8	I199 R206	I199-E201 PolarHBondContact O-N 2.71Å; E201-R206 HydrophobicContact CB-CB 4.45Å; E201-R206 HydrophobicContact CG-CB 4.24Å
202	T	94.8	Very high	92.9	Very high	22 Å²	22	43.3 Å²	43.3	14%	0.135	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-138.1	-178.3	-175.6	65.8	0	0	0	0	110.4	R200 Y204 G205 F235 Y391	R200-T202 HydrophobicContact CG-CG2 4.42Å; T202-Y204 PolarHBondContact O-N 2.98Å; T202-Y204 VanDerWaalsContact O-N 3.16Å; T202-Y204 PolarHBondContact OG1-N 3.24Å; T202-G205 PolarHBondContact N-O 2.99Å; T202-G205 VanDerWaalsContact N-O 3.17Å; T202-G205 WeakPolarHBondContact O-CA 3.49Å; T202-G205 PolarHBondContact O-N 3.15Å; T202-G205 PolarHBondContact OG1-O 3.1Å; T202-F235 HydrophobicContact CG2-CE2 3.99Å; T202-F235 HydrophobicContact CG2-CZ 4.13Å; T202-Y391 HydrophobicContact CG2-CD2 3.79Å; T202-Y391 HydrophobicContact CG2-CE2 4.43Å
203	T	91.1	Very high	91.6	Very high	44 Å²	44	47.2 Å²	47.2	27%	0.27	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-7.6	171.5	49.1	0	0	0	0	114.2	G205 R216 N297 M299	T203-G205 VanDerWaalsContact C-N 3.32Å; T203-R216 PolarHBondContact O-NH1 2.89Å; T203-R216 PolarHBondContact O-NH2 3.41Å; T203-N297 VanDerWaalsContact CG2-OD1 3.26Å; T203-N297 WeakPolarHBondContact CG2-OD1 3.24Å; T203-M299 HydrophobicContact CG2-CE 3.37Å; T203-M299 WeakPolarHBondContact OG1-CE 3.32Å
204	Y	89.6	Confident	89.8	Confident	14 Å²	14	54.3 Å²	54.3	6%	0.055	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-3.6	166.4	-56.7	-69.4	0	0	0	113	T202 Y234 Y288 Y391	T202-Y204 PolarHBondContact O-N 2.98Å; T202-Y204 VanDerWaalsContact O-N 3.16Å; T202-Y204 PolarHBondContact OG1-N 3.24Å; Y204-Y234 PolarHBondContact OH-OH 3.24Å; Y204-Y288 WeakPolarHBondContact OH-CE1 3.39Å; Y204-Y288 PolarHBondContact OH-OH 2.71Å; Y204-Y391 HydrophobicContact CD2-CE2 4.16Å
205	G	93	Very high	88.1	Confident	25 Å²	25	50.8 Å²	50.8	26%	0.258	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	96.3	-177.2	-172.2	0	0	0	0	0	112.9	T202 T203	T202-G205 PolarHBondContact N-O 2.99Å; T202-G205 VanDerWaalsContact N-O 3.17Å; T202-G205 WeakPolarHBondContact O-CA 3.49Å; T202-G205 PolarHBondContact O-N 3.15Å; T202-G205 PolarHBondContact OG1-O 3.1Å; T203-G205 VanDerWaalsContact C-N 3.32Å
206	R	95.7	Very high	86.4	Confident	77 Å²	77	49.9 Å²	49.9	29%	0.291	26%	0.261	S	S	.	.	S	Bend	trans	-72.2	-57.7	172.4	179.5	-170	-171.7	73.9	24.6	111.5	E190 R194 I199 E201 C390	E190-R206 IonicContact OE1-CZ 3.68Å; E190-R206 IonicContact OE1-NE 3.63Å; E190-R206 PolarHBondContact OE1-NE 3.25Å; E190-R206 IonicContact OE1-NH2 3.36Å; R194-R206 VanDerWaalsContact NH2-CZ 3.35Å; I199-R206 HydrophobicContact CG2-CG 3.81Å; I199-R206 VanDerWaalsContact CG2-O 3.24Å; I199-R206 WeakPolarHBondContact CG2-O 3.33Å; E201-R206 HydrophobicContact CB-CB 4.45Å; E201-R206 HydrophobicContact CG-CB 4.24Å; R206-C390 VanDerWaalsContact O-CB 3.26Å; R206-C390 WeakPolarHBondContact O-CB 3.38Å
207	M	97.3	Very high	84.5	Confident	33 Å²	33	51.9 Å²	51.9	16%	0.163	28%	0.283	C	S	.	.	S	Bend	trans	-114.6	143.8	168.3	-61.6	-60.5	-63.5	0	0	107.2	V186 T189 E190 I199 C390	V186-M207 HydrophobicContact CG1-CB 3.9Å; V186-M207 HydrophobicContact CG1-CE 4.25Å; V186-M207 HydrophobicContact CG1-CG 4.3Å; T189-M207 HydrophobicContact CG2-CE 3.97Å; E190-M207 HydrophobicContact CB-CE 4.09Å; E190-M207 HydrophobicContact CB-CG 4.09Å; E190-M207 HydrophobicContact CB-SD 3.85Å; E190-M207 HydrophobicContact CG-SD 4.37Å; I199-M207 HydrophobicContact CD1-SD 3.81Å; M207-C390 HydrophobicContact CE-CB 4.12Å; M207-C390 HydrophobicContact SD-CB 3.54Å; M207-C390 VanDerWaalsContact SD-CB 3.54Å; M207-C390 VanDerWaalsContact SD-SG 3.67Å
208	W	92.3	Very high	82.8	Confident	22 Å²	22	53.8 Å²	53.8	8%	0.083	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.3	170.7	42.1	-103.1	0	0	0	110.2	F210 Q242 F244 C388 G389 Y391	W208-F210 AromaticContact CE3-CD1 3.58Å; W208-F210 HydrophobicContact CE3-CD1 3.58Å; W208-F210 AromaticContact CE3-CE1 3.65Å; W208-F210 HydrophobicContact CE3-CE1 3.65Å; W208-F210 HydrophobicContact CH2-CE1 4.13Å; W208-F210 AromaticContact CZ3-CD1 3.79Å; W208-F210 HydrophobicContact CZ3-CD1 3.79Å; W208-F210 AromaticContact CZ3-CE1 3.37Å; W208-F210 HydrophobicContact CZ3-CE1 3.37Å; W208-F210 HydrophobicContact CZ3-CZ 4.45Å; W208-Q242 VanDerWaalsContact CH2-NE2 3.29Å; W208-Q242 VanDerWaalsContact CZ2-NE2 3.28Å; W208-F244 AromaticContact CH2-CD1 3.63Å; W208-F244 HydrophobicContact CH2-CD1 3.63Å; W208-F244 AromaticContact CH2-CE1 3.59Å; W208-F244 HydrophobicContact CH2-CE1 3.59Å; W208-F244 HydrophobicContact CZ3-CD1 4.21Å; W208-F244 HydrophobicContact CZ3-CE1 4.33Å; W208-C388 VanDerWaalsContact CZ3-C 3.49Å; W208-C388 CarbonylContact O-C 3.56Å; W208-C388 WeakPolarHBondContact O-CA 3.27Å; W208-C388 WeakPolarHBondContact O-CB 3.31Å; W208-G389 VanDerWaalsContact CE2-C 3.41Å; W208-G389 VanDerWaalsContact CZ3-N 3.33Å; W208-G389 PolarHBondContact N-O 3.38Å; W208-G389 PolarHBondContact O-N 3.28Å; W208-Y391 AromaticContact NE1-CE2 3.85Å
209	S	89.7	Confident	81.5	Confident	57 Å²	57	51.5 Å²	51.5	40%	0.399	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.5	171.8	160.8	0	0	0	0	107.2	Q386 L387	S209-Q386 PolarHBondContact OG-NE2 3.19Å; S209-Q386 VanDerWaalsContact OG-NE2 3.07Å; S209-L387 CarbonylContact C-O 3.55Å; S209-L387 WeakPolarHBondContact CA-O 3.36Å
210	F	81.6	Confident	80	Confident	21 Å²	21	51.8 Å²	51.8	9%	0.092	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	156.8	-178.5	69.9	-100.6	0	0	0	112.8	W208 Y221 Q386 L387	W208-F210 AromaticContact CE3-CD1 3.58Å; W208-F210 HydrophobicContact CE3-CD1 3.58Å; W208-F210 AromaticContact CE3-CE1 3.65Å; W208-F210 HydrophobicContact CE3-CE1 3.65Å; W208-F210 HydrophobicContact CH2-CE1 4.13Å; W208-F210 AromaticContact CZ3-CD1 3.79Å; W208-F210 HydrophobicContact CZ3-CD1 3.79Å; W208-F210 AromaticContact CZ3-CE1 3.37Å; W208-F210 HydrophobicContact CZ3-CE1 3.37Å; W208-F210 HydrophobicContact CZ3-CZ 4.45Å; F210-Y221 HydrophobicContact CB-CD1 3.93Å; F210-Y221 HydrophobicContact CB-CE1 3.37Å; F210-Y221 HydrophobicContact CD1-CE1 4.34Å; F210-Y221 HydrophobicContact CD2-CD1 4.33Å; F210-Y221 HydrophobicContact CD2-CE1 4.33Å; F210-Y221 HydrophobicContact CG-CD1 4.27Å; F210-Y221 AromaticContact CG-CE1 3.82Å; F210-Y221 HydrophobicContact CG-CE1 3.82Å; F210-Q386 WeakPolarHBondContact O-CA 3.21Å; F210-L387 HydrophobicContact CE1-CB 4.42Å; F210-L387 HydrophobicContact CE2-CD1 4.34Å; F210-L387 HydrophobicContact CZ-CB 4.29Å; F210-L387 HydrophobicContact CZ-CD1 3.9Å; F210-L387 PolarHBondContact N-O 3.16Å; F210-L387 PolarHBondContact O-N 2.84Å
211	T	78.7	Confident	78.9	Confident	40 Å²	40	49.7 Å²	49.7	25%	0.245	28%	0.279	C	S	.	.			trans	-119	176.9	163	-171.7	0	0	0	0	108.2	D213	T211-D213 VanDerWaalsContact C-N 3.32Å; T211-D213 HydrophobicContact CG2-CB 3.91Å; T211-D213 PolarHBondContact O-N 2.9Å
212	S	72.8	Confident	77.9	Confident	24 Å²	24	43.7 Å²	43.7	17%	0.168	25%	0.251	C	S	.	.	S	Bend	trans	-78.4	81.5	173.2	53.7	0	0	0	0	111.1	Y221 Q223	S212-Y221 CarbonylContact C-O 3.6Å; S212-Y221 WeakPolarHBondContact CA-O 3.14Å; S212-Q223 WeakPolarHBondContact OG-CG 3.23Å; S212-Q223 PolarHBondContact OG-NE2 2.84Å
213	D	69.6	Low	77.3	Confident	81 Å²	81	47 Å²	47	43%	0.433	27%	0.266	S	S	.	.	S	Bend	trans	-122.7	0	-177	58.2	16.3	0	0	0	114.4	T211 S215 Y221	T211-D213 VanDerWaalsContact C-N 3.32Å; T211-D213 HydrophobicContact CG2-CB 3.91Å; T211-D213 PolarHBondContact O-N 2.9Å; D213-S215 PolarHBondContact O-N 3.17Å; D213-S215 WeakPolarHBondContact OD1-CB 2.73Å; D213-S215 PolarHBondContact OD1-N 2.85Å; D213-S215 PolarHBondContact OD1-OG 2.86Å; D213-S215 PolarHBondContact OD2-OG 2.78Å; D213-Y221 PolarHBondContact N-O 3.33Å
214	F	62.1	Low	77	Confident	150 Å²	150	50.5 Å²	50.5	66%	0.658	28%	0.282	S	S	*	.			trans	55.2	25.6	-172.8	-56.5	-89.1	0	0	0	114.9	R216 Y221	F214-R216 PolarHBondContact O-N 2.7Å; F214-R216 VanDerWaalsContact O-N 3.15Å; F214-Y221 PolarHBondContact N-O 3.16Å
215	S	60.7	Low	77	Confident	66 Å²	66	52.7 Å²	52.7	46%	0.462	30%	0.303	S	S	.	.			trans	-66.4	-11.4	-179.2	55.8	0	0	0	0	115.4	D213 Y221	D213-S215 PolarHBondContact O-N 3.17Å; D213-S215 WeakPolarHBondContact OD1-CB 2.73Å; D213-S215 PolarHBondContact OD1-N 2.85Å; D213-S215 PolarHBondContact OD1-OG 2.86Å; D213-S215 PolarHBondContact OD2-OG 2.78Å; S215-Y221 WeakPolarHBondContact OG-CD1 3.48Å
216	R	63.6	Low	76.9	Confident	37 Å²	37	52.3 Å²	52.3	14%	0.14	30%	0.295	C	S	.	.	S	Bend	trans	-126.7	156.5	175.3	-65.5	-65.5	-163.5	137.7	3.4	110.4	T203 F214 D218 Y221 E290	T203-R216 PolarHBondContact O-NH1 2.89Å; T203-R216 PolarHBondContact O-NH2 3.41Å; F214-R216 PolarHBondContact O-N 2.7Å; F214-R216 VanDerWaalsContact O-N 3.15Å; R216-D218 HydrophobicContact CB-CB 4.38Å; R216-D218 PolarHBondContact O-N 3.31Å; R216-Y221 HydrophobicContact CB-CD1 4.29Å; R216-Y221 HydrophobicContact CB-CD2 3.84Å; R216-Y221 HydrophobicContact CB-CE1 4.07Å; R216-Y221 HydrophobicContact CB-CE2 3.64Å; R216-Y221 HydrophobicContact CB-CG 4.2Å; R216-Y221 HydrophobicContact CG-CD1 4.32Å; R216-Y221 HydrophobicContact CG-CD2 4.41Å; R216-Y221 HydrophobicContact CG-CE1 3.66Å; R216-Y221 HydrophobicContact CG-CE2 3.81Å; R216-Y221 VanDerWaalsContact CG-CZ 3.41Å; R216-E290 WeakPolarHBondContact CD-OE1 3.28Å; R216-E290 IonicContact NH1-OE1 3.72Å; R216-E290 PolarHBondContact NH1-OE1 3.2Å; R216-E290 IonicContact NH1-OE2 2.67Å; R216-E290 PolarHBondContact NH1-OE2 2.89Å
217	G	57.9	Low	76.8	Confident	49 Å²	49	50.3 Å²	50.3	51%	0.505	29%	0.29	S	S	.	.	S	Bend	trans	-72.3	45.7	173.4	0	0	0	0	0	114.1
218	D	60.5	Low	76.8	Confident	55 Å²	55	49.6 Å²	49.6	29%	0.294	29%	0.285	S	S	.	.	S	Bend	trans	-139	135.5	-169.7	-173.1	-31.5	0	0	0	111	R216 A220 Y221	R216-D218 HydrophobicContact CB-CB 4.38Å; R216-D218 PolarHBondContact O-N 3.31Å; D218-A220 PolarHBondContact O-N 3.04Å; D218-A220 VanDerWaalsContact OD1-CB 3.3Å; D218-A220 WeakPolarHBondContact OD1-CB 3.47Å; D218-A220 PolarHBondContact OD1-N 3.13Å; D218-Y221 HydrophobicContact CB-CD2 3.88Å; D218-Y221 HydrophobicContact CB-CE2 4.09Å; D218-Y221 PolarHBondContact O-N 3.11Å
219	T	68.3	Low	77.1	Confident	63 Å²	63	49.4 Å²	49.4	39%	0.387	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-63.5	-22.1	-178.4	-50.9	0	0	0	0	112.5	Y221 S222 L226	T219-Y221 PolarHBondContact O-N 2.98Å; T219-Y221 VanDerWaalsContact O-N 3.13Å; T219-S222 WeakPolarHBondContact O-CB 3.04Å; T219-S222 PolarHBondContact O-N 2.89Å; T219-S222 VanDerWaalsContact O-N 3.08Å; T219-S222 PolarHBondContact O-OG 3.05Å; T219-L226 HydrophobicContact CG2-CD2 3.75Å
220	A	68.1	Low	77.5	Confident	20 Å²	20	46.8 Å²	46.8	17%	0.165	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-54.1	-30.4	175.8	0	0	0	0	0	113.8	D218 S222 L226 R378	D218-A220 PolarHBondContact O-N 3.04Å; D218-A220 VanDerWaalsContact OD1-CB 3.3Å; D218-A220 WeakPolarHBondContact OD1-CB 3.47Å; D218-A220 PolarHBondContact OD1-N 3.13Å; A220-S222 VanDerWaalsContact C-N 3.25Å; A220-S222 PolarHBondContact O-N 3.27Å; A220-L226 HydrophobicContact CB-CD1 4.45Å; A220-R378 PolarHBondContact O-NH1 3.08Å
221	Y	72.5	Confident	78.2	Confident	14 Å²	14	46.8 Å²	46.8	6%	0.055	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-84.6	9.7	-177.5	-64.7	-107	0	0	0	113.3	F210 S212 D213 F214 S215 R216 D218 T219	F210-Y221 HydrophobicContact CB-CD1 3.93Å; F210-Y221 HydrophobicContact CB-CE1 3.37Å; F210-Y221 HydrophobicContact CD1-CE1 4.34Å; F210-Y221 HydrophobicContact CD2-CD1 4.33Å; F210-Y221 HydrophobicContact CD2-CE1 4.33Å; F210-Y221 HydrophobicContact CG-CD1 4.27Å; F210-Y221 AromaticContact CG-CE1 3.82Å; F210-Y221 HydrophobicContact CG-CE1 3.82Å; S212-Y221 CarbonylContact C-O 3.6Å; S212-Y221 WeakPolarHBondContact CA-O 3.14Å; D213-Y221 PolarHBondContact N-O 3.33Å; F214-Y221 PolarHBondContact N-O 3.16Å; S215-Y221 WeakPolarHBondContact OG-CD1 3.48Å; R216-Y221 HydrophobicContact CB-CD1 4.29Å; R216-Y221 HydrophobicContact CB-CD2 3.84Å; R216-Y221 HydrophobicContact CB-CE1 4.07Å; R216-Y221 HydrophobicContact CB-CE2 3.64Å; R216-Y221 HydrophobicContact CB-CG 4.2Å; R216-Y221 HydrophobicContact CG-CD1 4.32Å; R216-Y221 HydrophobicContact CG-CD2 4.41Å; R216-Y221 HydrophobicContact CG-CE1 3.66Å; R216-Y221 HydrophobicContact CG-CE2 3.81Å; R216-Y221 VanDerWaalsContact CG-CZ 3.41Å; D218-Y221 HydrophobicContact CB-CD2 3.88Å; D218-Y221 HydrophobicContact CB-CE2 4.09Å; D218-Y221 PolarHBondContact O-N 3.11Å; T219-Y221 PolarHBondContact O-N 2.98Å; T219-Y221 VanDerWaalsContact O-N 3.13Å
222	S	76.8	Confident	79.1	Confident	3 Å²	3	45 Å²	45	2%	0.021	26%	0.257	C	S	.	.	S	Bend	trans	-98.3	170.2	172.2	75.3	0	0	0	0	112.6	T219 A220 L224 R378	T219-S222 WeakPolarHBondContact O-CB 3.04Å; T219-S222 PolarHBondContact O-N 2.89Å; T219-S222 VanDerWaalsContact O-N 3.08Å; T219-S222 PolarHBondContact O-OG 3.05Å; A220-S222 VanDerWaalsContact C-N 3.25Å; A220-S222 PolarHBondContact O-N 3.27Å; S222-L224 PolarHBondContact OG-N 3.19Å; S222-R378 PolarHBondContact O-NH2 2.89Å
223	Q	81.9	Confident	80.2	Confident	93 Å²	93	43.8 Å²	43.8	44%	0.435	25%	0.249	S	C	.	.	S	Bend	trans	-87.8	-3	170.5	-68.3	-176.1	-12	0	0	114	S212 S380 F381	S212-Q223 WeakPolarHBondContact OG-CG 3.23Å; S212-Q223 PolarHBondContact OG-NE2 2.84Å; Q223-S380 WeakPolarHBondContact O-CA 3.43Å; Q223-F381 HydrophobicContact CB-CE1 4.33Å; Q223-F381 HydrophobicContact CB-CZ 4.47Å; Q223-F381 HydrophobicContact CG-CE1 4.22Å; Q223-F381 HydrophobicContact CG-CE2 4.12Å; Q223-F381 HydrophobicContact CG-CZ 3.87Å; Q223-F381 PolarHBondContact O-N 3.5Å
224	L	84.9	Confident	81.5	Confident	117 Å²	117	40.3 Å²	40.3	61%	0.613	23%	0.229	S	C	*	.	S	Bend	trans	-69.7	164.6	-176.8	-60.2	178.2	0	0	0	111.7	S222 R378	S222-L224 PolarHBondContact OG-N 3.19Å; L224-R378 PolarHBondContact O-NH2 3.38Å
225	A	89.1	Confident	83.1	Confident	60 Å²	60	34.2 Å²	34.2	50%	0.496	20%	0.203	S	C	.	.			trans	-68.5	140.3	169.3	0	0	0	0	0	110	R378	A225-R378 CarbonylContact C-O 3.5Å; A225-R378 VanDerWaalsContact CA-O 3.26Å; A225-R378 WeakPolarHBondContact CA-O 3.48Å
226	L	91.5	Very high	84.7	Confident	17 Å²	17	39.1 Å²	39.1	9%	0.089	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.4	172.3	-58.2	171.8	0	0	0	107.4	T219 A220 G377 R378	T219-L226 HydrophobicContact CG2-CD2 3.75Å; A220-L226 HydrophobicContact CB-CD1 4.45Å; L226-G377 WeakPolarHBondContact O-CA 3.33Å; L226-R378 HydrophobicContact CB-CB 4.21Å; L226-R378 HydrophobicContact CD1-CB 4.23Å; L226-R378 HydrophobicContact CG-CB 4.4Å; L226-R378 PolarHBondContact N-O 3.44Å; L226-R378 PolarHBondContact O-N 2.8Å
227	D	93.5	Very high	86.2	Confident	35 Å²	35	43.6 Å²	43.6	19%	0.187	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	163.9	174.9	-160.9	13	0	0	0	110.4	H229 Y323 R351	D227-H229 PolarHBondContact O-N 3.28Å; D227-H229 PolarHBondContact O-ND1 2.73Å; D227-Y323 PolarHBondContact N-OH 3.29Å; D227-R351 IonicContact OD2-CZ 3.25Å; D227-R351 VanDerWaalsContact OD2-CZ 3.25Å; D227-R351 IonicContact OD2-NE 3.01Å; D227-R351 PolarHBondContact OD2-NE 3.45Å; D227-R351 IonicContact OD2-NH2 2.67Å; D227-R351 PolarHBondContact OD2-NH2 3.01Å
228	R	96.7	Very high	88	Confident	18 Å²	18	41.7 Å²	41.7	7%	0.068	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	125.7	-177.8	66.8	-140.3	70.8	-135.3	-5.7	113.1	L257 Y320 L350 E356 L375 H376	R228-L257 HydrophobicContact CB-CD2 4.09Å; R228-Y320 HydrophobicContact CG-CE1 4.38Å; R228-Y320 WeakPolarHBondContact O-CE1 3.22Å; R228-L350 VanDerWaalsContact CD-O 3.31Å; R228-L350 WeakPolarHBondContact CD-O 3.37Å; R228-L350 HydrophobicContact CG-CB 4.36Å; R228-L350 PolarHBondContact NH1-O 2.83Å; R228-E356 IonicContact CZ-OE1 3.17Å; R228-E356 IonicContact NH1-OE1 3.39Å; R228-E356 PolarHBondContact NH1-OE1 2.81Å; R228-E356 IonicContact NH2-OE1 2.78Å; R228-E356 PolarHBondContact NH2-OE1 3.35Å; R228-L375 HydrophobicContact CB-CB 3.94Å; R228-L375 HydrophobicContact CB-CD2 4.06Å; R228-L375 HydrophobicContact CG-CD2 3.85Å; R228-H376 CarbonylContact C-O 2.99Å; R228-H376 WeakPolarHBondContact CA-O 3.32Å
229	H	98.3	Very high	89.8	Confident	17 Å²	17	39.1 Å²	39.1	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	167.3	177.7	57.2	-73.9	0	0	0	113	D227 D231 Y320 N321 L375 H376	D227-H229 PolarHBondContact O-N 3.28Å; D227-H229 PolarHBondContact O-ND1 2.73Å; H229-D231 IonicContact CD2-OD1 2.73Å; H229-D231 PolarHBondContact CD2-OD1 2.77Å; H229-D231 IonicContact NE2-OD1 3.72Å; H229-D231 PolarHBondContact NE2-OD1 3.02Å; H229-Y320 CarbonylContact C-O 3.34Å; H229-Y320 WeakPolarHBondContact CA-O 3.31Å; H229-N321 HydrophobicContact CB-CB 4Å; H229-L375 CarbonylContact O-C 3.53Å; H229-L375 VanDerWaalsContact O-CA 3.29Å; H229-L375 WeakPolarHBondContact O-CA 3.42Å; H229-H376 PolarHBondContact N-O 3.03Å; H229-H376 PolarHBondContact ND1-O 3.22Å; H229-H376 VanDerWaalsContact ND1-O 3.17Å; H229-H376 PolarHBondContact O-N 2.99Å; H229-H376 PolarHBondContact O-ND1 3.16Å
230	T	98.4	Very high	91.1	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	19%	0.188	C	C	.	.			trans	-108.3	129.6	163.6	57.1	0	0	0	0	109.1	I318 Y320 N371 L375	T230-I318 HydrophobicContact CG2-CG2 4.21Å; T230-Y320 PolarHBondContact N-O 2.95Å; T230-Y320 PolarHBondContact OG1-N 2.85Å; T230-Y320 PolarHBondContact OG1-O 2.88Å; T230-N371 WeakPolarHBondContact CA-OD1 3.42Å; T230-N371 WeakPolarHBondContact CB-O 3.39Å; T230-N371 VanDerWaalsContact CG2-O 3.24Å; T230-N371 WeakPolarHBondContact CG2-O 3.45Å; T230-L375 HydrophobicContact CG2-CD1 4.35Å; T230-L375 HydrophobicContact CG2-CG 4.08Å
231	D	97.3	Very high	92.6	Very high	20 Å²	20	35.3 Å²	35.3	11%	0.107	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	156.3	-177.9	-75.4	-18.2	0	0	0	112.6	H229 S233 Q242 N371 H376 Y391	H229-D231 IonicContact CD2-OD1 2.73Å; H229-D231 PolarHBondContact CD2-OD1 2.77Å; H229-D231 IonicContact NE2-OD1 3.72Å; H229-D231 PolarHBondContact NE2-OD1 3.02Å; D231-S233 PolarHBondContact O-N 3Å; D231-Q242 WeakPolarHBondContact OD2-CG 3.26Å; D231-N371 PolarHBondContact N-OD1 3.39Å; D231-N371 PolarHBondContact O-ND2 3.38Å; D231-H376 IonicContact OD1-CE1 3.93Å; D231-H376 IonicContact OD1-NE2 3.71Å; D231-H376 IonicContact OD2-CE1 2.71Å; D231-H376 PolarHBondContact OD2-CE1 2.69Å; D231-H376 IonicContact OD2-NE2 2.71Å; D231-H376 PolarHBondContact OD2-NE2 3.44Å; D231-Y391 HydrophobicContact CB-CE1 3.83Å
232	T	96.6	Very high	93.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	32.2	174.1	65.6	0	0	0	0	113.8	Y234 F235 C239 Y391	T232-Y234 PolarHBondContact O-N 3.46Å; T232-F235 HydrophobicContact CG2-CD1 4.37Å; T232-F235 HydrophobicContact CG2-CD2 4.14Å; T232-F235 HydrophobicContact CG2-CE1 4Å; T232-F235 HydrophobicContact CG2-CE2 3.77Å; T232-F235 HydrophobicContact CG2-CG 4.44Å; T232-F235 HydrophobicContact CG2-CZ 3.68Å; T232-F235 WeakPolarHBondContact O-CB 3.36Å; T232-F235 PolarHBondContact O-N 2.76Å; T232-C239 PolarHBondContact OG1-N 3.08Å; T232-Y391 HydrophobicContact CG2-CE1 4.22Å; T232-Y391 HydrophobicContact CG2-CE2 4.3Å
233	S	96.4	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17	178.5	77.3	0	0	0	0	113.6	D231 H286 R319 D324	D231-S233 PolarHBondContact O-N 3Å; S233-H286 WeakPolarHBondContact O-CB 3.42Å; S233-H286 PolarHBondContact OG-CD2 3.23Å; S233-R319 WeakPolarHBondContact O-CD 3.32Å; S233-R319 PolarHBondContact O-NH1 3.16Å; S233-D324 WeakPolarHBondContact OG-CB 3.46Å; S233-D324 VanDerWaalsContact OG-CG 3.28Å; S233-D324 PolarHBondContact OG-OD2 2.95Å
234	Y	96.5	Very high	95.6	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.027	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.8	173.5	49.9	-94.7	0	0	0	114.7	Y204 T232 Y288 M299 T300 G301 D324	Y204-Y234 PolarHBondContact OH-OH 3.24Å; T232-Y234 PolarHBondContact O-N 3.46Å; Y234-Y288 HydrophobicContact CD2-CG 4.23Å; Y234-Y288 HydrophobicContact CE1-CD2 4.37Å; Y234-Y288 HydrophobicContact CE1-CG 4.25Å; Y234-Y288 HydrophobicContact CE2-CD1 4.09Å; Y234-Y288 AromaticContact CE2-CG 3.87Å; Y234-Y288 HydrophobicContact CE2-CG 3.87Å; Y234-Y288 VanDerWaalsContact CG-CB 3.46Å; Y234-Y288 AromaticContact CZ-CG 3.91Å; Y234-M299 HydrophobicContact CD2-CB 3.8Å; Y234-M299 HydrophobicContact CD2-SD 4.2Å; Y234-M299 HydrophobicContact CE2-SD 4.2Å; Y234-T300 CarbonylContact O-C 3.54Å; Y234-T300 PolarHBondContact O-N 3.35Å; Y234-G301 PolarHBondContact O-N 2.99Å; Y234-D324 HydrophobicContact CD1-CB 3.92Å; Y234-D324 VanDerWaalsContact CD1-CG 3.41Å; Y234-D324 VanDerWaalsContact CD1-OD2 3.26Å; Y234-D324 WeakPolarHBondContact CD1-OD2 3.14Å; Y234-D324 WeakPolarHBondContact CE1-OD2 3.38Å
235	F	96.6	Very high	96.3	Very high	23 Å²	23	25.6 Å²	25.6	10%	0.101	13%	0.132	C	C	.	.	S	Bend	trans	-75.2	151.6	165.3	-71.5	9.8	0	0	0	109.1	T202 T232 E237 C239 M299 R319	T202-F235 HydrophobicContact CG2-CE2 3.99Å; T202-F235 HydrophobicContact CG2-CZ 4.13Å; T232-F235 HydrophobicContact CG2-CD1 4.37Å; T232-F235 HydrophobicContact CG2-CD2 4.14Å; T232-F235 HydrophobicContact CG2-CE1 4Å; T232-F235 HydrophobicContact CG2-CE2 3.77Å; T232-F235 HydrophobicContact CG2-CG 4.44Å; T232-F235 HydrophobicContact CG2-CZ 3.68Å; T232-F235 WeakPolarHBondContact O-CB 3.36Å; T232-F235 PolarHBondContact O-N 2.76Å; F235-E237 VanDerWaalsContact C-N 3.28Å; F235-E237 WeakPolarHBondContact CB-O 3.16Å; F235-E237 WeakPolarHBondContact CD2-O 3.1Å; F235-C239 VanDerWaalsContact CE2-SG 3.58Å; F235-M299 HydrophobicContact CD1-SD 3.65Å; F235-M299 HydrophobicContact CE1-CE 4.3Å; F235-M299 HydrophobicContact CE1-SD 3.33Å; F235-M299 WeakPolarHBondContact CE1-SD 3.46Å; F235-M299 HydrophobicContact CZ-SD 4.37Å; F235-R319 PolarHBondContact O-NH1 3.46Å
236	Q	94.3	Very high	96.5	Very high	169 Å²	169	22.8 Å²	22.8	79%	0.79	11%	0.108	S	C	*	.	S	Bend	trans	-61.4	-44.8	167.6	-64.6	-168.7	12.5	0	0	109.9	P238 R319	Q236-P238 WeakPolarHBondContact O-CD 3.05Å; Q236-R319 PolarHBondContact O-NH2 2.9Å
237	E	94.7	Very high	96.7	Very high	131 Å²	131	22.9 Å²	22.9	61%	0.612	11%	0.109	S	C	*	.	S	Bend	trans	-108.2	96.7	172.1	-62.6	163.2	-175.7	0	0	110.1	R200 F235	R200-E237 IonicContact CZ-OE2 2.73Å; R200-E237 PolarHBondContact NH1-O 3.06Å; R200-E237 IonicContact NH2-OE2 3.8Å; R200-E237 PolarHBondContact NH2-OE2 2.87Å; F235-E237 VanDerWaalsContact C-N 3.28Å; F235-E237 WeakPolarHBondContact CB-O 3.16Å; F235-E237 WeakPolarHBondContact CD2-O 3.1Å
238	P	96.1	Very high	96.7	Very high	9 Å²	9	26.8 Å²	26.8	6%	0.058	12%	0.121	C	C	.	.			trans	-58.2	147.6	176.1	-23.8	35.5	0	0	0	111.1	Q236 G240 M317 R319 W372	Q236-P238 WeakPolarHBondContact O-CD 3.05Å; P238-G240 PolarHBondContact O-N 3.17Å; P238-M317 HydrophobicContact CG-SD 4Å; P238-R319 VanDerWaalsContact CD-NH2 3.29Å; P238-R319 VanDerWaalsContact CG-CZ 3.48Å; P238-W372 PolarHBondContact O-NE1 2.93Å
239	C	97.3	Very high	96.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.126	C	C	.	.			trans	-56.9	134.6	175.6	-66.1	0	0	0	0	110.7	T232 F235 N371 W372 Y391	T232-C239 PolarHBondContact OG1-N 3.08Å; F235-C239 VanDerWaalsContact CE2-SG 3.58Å; C239-N371 WeakPolarHBondContact O-CB 3.2Å; C239-N371 PolarHBondContact O-ND2 3.01Å; C239-W372 VanDerWaalsContact O-CD1 3.28Å; C239-W372 PolarHBondContact O-NE1 3.05Å; C239-Y391 HydrophobicContact CB-CD1 3.33Å; C239-Y391 HydrophobicContact CB-CE1 4.04Å; C239-Y391 HydrophobicContact CB-CG 3.66Å; C239-Y391 VanDerWaalsContact SG-CG 3.5Å
240	G	96.6	Very high	96	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.01	15%	0.146	C	C	.	.	S	Bend	trans	-72.1	-39.1	-172.3	0	0	0	0	0	112.6	P238 N371 L392	P238-G240 PolarHBondContact O-N 3.17Å; G240-N371 PolarHBondContact O-N 3.31Å; G240-N371 VanDerWaalsContact O-N 3.08Å; G240-L392 PolarHBondContact N-O 2.97Å; G240-L392 VanDerWaalsContact N-O 3.1Å
241	I	98.4	Very high	95.6	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.5	-176.5	-40.9	-169.4	0	0	0	108.7	Y171 F368 I369 Y391 L392 V397	Y171-I241 HydrophobicContact CE1-CD1 3.99Å; Y171-I241 HydrophobicContact CE2-CD1 4.32Å; Y171-I241 HydrophobicContact CE2-CG2 4.08Å; Y171-I241 VanDerWaalsContact OH-CD1 3.3Å; Y171-I241 WeakPolarHBondContact OH-CD1 3.41Å; Y171-I241 VanDerWaalsContact OH-CG1 3.28Å; Y171-I241 WeakPolarHBondContact OH-CG1 3.42Å; I241-F368 HydrophobicContact CG2-CB 4.31Å; I241-F368 HydrophobicContact CG2-CD1 4.5Å; I241-I369 CarbonylContact C-O 3.58Å; I241-I369 VanDerWaalsContact CA-O 3.26Å; I241-I369 WeakPolarHBondContact CA-O 3.22Å; I241-I369 WeakPolarHBondContact CG2-O 3.45Å; I241-Y391 VanDerWaalsContact O-CA 3.31Å; I241-Y391 WeakPolarHBondContact O-CA 3.31Å; I241-L392 HydrophobicContact CB-CB 3.89Å; I241-L392 HydrophobicContact CB-CD1 4.33Å; I241-L392 HydrophobicContact CB-CG 4.3Å; I241-L392 HydrophobicContact CD1-CB 4.16Å; I241-L392 HydrophobicContact CD1-CD1 4.02Å; I241-L392 HydrophobicContact CG1-CB 4.05Å; I241-L392 HydrophobicContact CG2-CD1 4.44Å; I241-L392 PolarHBondContact N-O 3.37Å; I241-L392 PolarHBondContact O-N 3.32Å; I241-V397 HydrophobicContact CD1-CB 3.73Å; I241-V397 HydrophobicContact CD1-CG1 3.78Å; I241-V397 HydrophobicContact CD1-CG2 3.42Å; I241-V397 VanDerWaalsContact CD1-CG2 3.42Å
242	Q	98.4	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.5	172.7	168.6	46.4	21	0	0	109.4	W208 D231 F244 I369 N371 C390 Y391	W208-Q242 VanDerWaalsContact CH2-NE2 3.29Å; W208-Q242 VanDerWaalsContact CZ2-NE2 3.28Å; D231-Q242 WeakPolarHBondContact OD2-CG 3.26Å; Q242-F244 HydrophobicContact CG-CD2 3.99Å; Q242-F244 HydrophobicContact CG-CE2 3.4Å; Q242-F244 HydrophobicContact CG-CZ 3.79Å; Q242-I369 PolarHBondContact N-O 2.96Å; Q242-I369 PolarHBondContact O-N 3.01Å; Q242-N371 HydrophobicContact CB-CB 4.12Å; Q242-C390 PolarHBondContact OE1-O 3.38Å; Q242-Y391 HydrophobicContact CB-CD1 4.41Å; Q242-Y391 HydrophobicContact CB-CE1 4.37Å; Q242-Y391 HydrophobicContact CG-CE1 4.49Å
243	V	98.6	Very high	95.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.2	-178.2	-172.3	0	0	0	0	110	T193 V366 I367 F368 G389 C390 L392	T193-V243 HydrophobicContact CG2-CG2 4.38Å; V243-V366 HydrophobicContact CG1-CG1 3.69Å; V243-I367 WeakPolarHBondContact CA-O 3.36Å; V243-F368 HydrophobicContact CG1-CD1 4.27Å; V243-F368 HydrophobicContact CG1-CE1 4.11Å; V243-F368 HydrophobicContact CG1-CE2 4.37Å; V243-F368 HydrophobicContact CG1-CG 4.47Å; V243-F368 HydrophobicContact CG1-CZ 4.16Å; V243-F368 HydrophobicContact CG2-CD1 3.54Å; V243-F368 HydrophobicContact CG2-CE1 3.73Å; V243-F368 HydrophobicContact CG2-CG 4.24Å; V243-G389 WeakPolarHBondContact O-CA 3.38Å; V243-C390 PolarHBondContact N-O 3.29Å; V243-C390 PolarHBondContact O-N 3.38Å; V243-L392 HydrophobicContact CG2-CD1 4.37Å; V243-L392 HydrophobicContact CG2-CG 4.3Å
244	F	98.3	Very high	95	Very high	23 Å²	23	38.4 Å²	38.4	10%	0.101	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	137.1	173.8	-66.7	-76.8	0	0	0	111.8	W208 Q242 L361 V366 I367 I369 H376 L387	W208-F244 AromaticContact CH2-CD1 3.63Å; W208-F244 HydrophobicContact CH2-CD1 3.63Å; W208-F244 AromaticContact CH2-CE1 3.59Å; W208-F244 HydrophobicContact CH2-CE1 3.59Å; W208-F244 HydrophobicContact CZ3-CD1 4.21Å; W208-F244 HydrophobicContact CZ3-CE1 4.33Å; Q242-F244 HydrophobicContact CG-CD2 3.99Å; Q242-F244 HydrophobicContact CG-CE2 3.4Å; Q242-F244 HydrophobicContact CG-CZ 3.79Å; F244-L361 HydrophobicContact CB-CD1 3.96Å; F244-V366 WeakPolarHBondContact O-CA 3.49Å; F244-I367 HydrophobicContact CB-CG2 3.8Å; F244-I367 HydrophobicContact CD2-CG2 4.37Å; F244-I367 PolarHBondContact N-O 2.81Å; F244-I367 PolarHBondContact O-N 3.47Å; F244-I369 HydrophobicContact CD2-CD1 3.87Å; F244-I369 HydrophobicContact CE2-CD1 3.98Å; F244-H376 AromaticContact CE2-CD2 3.5Å; F244-H376 VanDerWaalsContact CE2-CD2 3.5Å; F244-H376 WeakPolarHBondContact CE2-CD2 3.49Å; F244-H376 AromaticContact CE2-NE2 3.48Å; F244-H376 WeakPolarHBondContact CE2-NE2 3.45Å; F244-H376 AromaticContact CZ-CD2 3.82Å; F244-H376 AromaticContact CZ-NE2 3.53Å; F244-L387 HydrophobicContact CD1-CD1 3.84Å; F244-L387 HydrophobicContact CE1-CD1 4.15Å
245	H	97.8	Very high	95	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	127.1	166.1	-168.3	179.3	0	0	0	109.7	P183 T189 L247 G364 K365 V366 L387 C388	P183-H245 PolarHBondContact O-CE1 3.4Å; P183-H245 VanDerWaalsContact O-CE1 3.3Å; T189-H245 HydrophobicContact CG2-CB 3.82Å; T189-H245 PolarHBondContact OG1-ND1 2.9Å; H245-L247 PolarHBondContact O-N 2.92Å; H245-G364 WeakPolarHBondContact NE2-CA 3.34Å; H245-G364 PolarHBondContact NE2-N 2.86Å; H245-G364 VanDerWaalsContact NE2-N 3.11Å; H245-K365 PolarHBondContact CD2-O 2.72Å; H245-V366 HydrophobicContact CB-CG2 3.93Å; H245-L387 WeakPolarHBondContact O-CA 3.29Å; H245-L387 WeakPolarHBondContact O-CD2 3.48Å; H245-C388 PolarHBondContact N-O 3.46Å; H245-C388 PolarHBondContact O-N 3.49Å
246	C	94.8	Very high	95	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.5	166.6	-173.7	0	0	0	0	109.2	L361 P363 L387	C246-L361 HydrophobicContact CB-CB 3.88Å; C246-P363 VanDerWaalsContact O-CA 3.29Å; C246-P363 WeakPolarHBondContact O-CA 3.44Å; C246-L387 HydrophobicContact CB-CD2 4.23Å
247	L	95.4	Very high	95.2	Very high	20 Å²	20	33.4 Å²	33.4	11%	0.105	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-40.5	175.7	-58.3	-172.4	0	0	0	110.9	V186 H245 Q386 C388	V186-L247 HydrophobicContact CG2-CD1 3.93Å; H245-L247 PolarHBondContact O-N 2.92Å; L247-Q386 HydrophobicContact CB-CB 4.33Å; L247-Q386 HydrophobicContact CB-CG 4.19Å; L247-Q386 HydrophobicContact CD1-CG 4.26Å; L247-Q386 PolarHBondContact N-O 2.85Å; L247-C388 HydrophobicContact CD1-CB 3.83Å; L247-C388 HydrophobicContact CG-CB 4.23Å
248	R	93	Very high	95.4	Very high	116 Å²	116	27.2 Å²	27.2	44%	0.438	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	140.5	-179.2	-168.1	168.6	175.9	-167.6	-6.4	111	E250 L384 R385 Q386	R248-E250 HydrophobicContact CG-CG 4.49Å; R248-E250 IonicContact CZ-OE1 2.84Å; R248-E250 IonicContact CZ-OE2 2.67Å; R248-E250 IonicContact NE-OE1 3.93Å; R248-E250 PolarHBondContact NE-OE1 3.22Å; R248-E250 IonicContact NE-OE2 3.68Å; R248-E250 VanDerWaalsContact NH2-CD 3.27Å; R248-E250 IonicContact NH2-OE1 2.72Å; R248-E250 PolarHBondContact NH2-OE1 2.9Å; R248-E250 IonicContact NH2-OE2 3.16Å; R248-E250 PolarHBondContact NH2-OE2 3.05Å; R248-L384 HydrophobicContact CG-CD2 4.31Å; R248-R385 WeakPolarHBondContact O-CA 3.5Å; R248-Q386 HydrophobicContact CB-CB 4.17Å; R248-Q386 PolarHBondContact N-O 2.96Å; R248-Q386 PolarHBondContact O-N 2.93Å
249	H	90.7	Very high	95.5	Very high	39 Å²	39	26.8 Å²	26.8	18%	0.181	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	110.1	173.2	-176	-100.6	0	0	0	111.4	G251 K360 L384	H249-G251 VanDerWaalsContact CE1-C 3.45Å; H249-G251 PolarHBondContact CE1-O 2.74Å; H249-K360 PolarHBondContact CE1-NZ 3.28Å; H249-K360 PolarHBondContact ND1-NZ 2.92Å; H249-K360 PolarHBondContact NE2-NZ 2.9Å; H249-K360 VanDerWaalsContact NE2-NZ 3.2Å; H249-L384 CarbonylContact C-O 3.52Å; H249-L384 VanDerWaalsContact CA-O 3.31Å; H249-L384 WeakPolarHBondContact CA-O 3.43Å
250	E	90.5	Very high	95.6	Very high	104 Å²	104	26.8 Å²	26.8	49%	0.486	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	85.9	179.7	-68.6	172.7	-175.9	0	0	108.7	R248 G383 L384	R248-E250 HydrophobicContact CG-CG 4.49Å; R248-E250 IonicContact CZ-OE1 2.84Å; R248-E250 IonicContact CZ-OE2 2.67Å; R248-E250 IonicContact NE-OE1 3.93Å; R248-E250 PolarHBondContact NE-OE1 3.22Å; R248-E250 IonicContact NE-OE2 3.68Å; R248-E250 VanDerWaalsContact NH2-CD 3.27Å; R248-E250 IonicContact NH2-OE1 2.72Å; R248-E250 PolarHBondContact NH2-OE1 2.9Å; R248-E250 IonicContact NH2-OE2 3.16Å; R248-E250 PolarHBondContact NH2-OE2 3.05Å; E250-G383 CarbonylContact O-C 3.53Å; E250-G383 WeakPolarHBondContact O-CA 3.23Å; E250-L384 HydrophobicContact CB-CB 4.34Å; E250-L384 PolarHBondContact N-O 3.29Å; E250-L384 PolarHBondContact O-N 2.88Å; E250-L384 VanDerWaalsContact O-N 3.07Å
251	G	89.3	Confident	95.7	Very high	39 Å²	39	26.8 Å²	26.8	40%	0.402	14%	0.144	S	C	.	.	S	Bend	trans	160	-161.8	-176.3	0	0	0	0	0	112.8	H249 T382	H249-G251 VanDerWaalsContact CE1-C 3.45Å; H249-G251 PolarHBondContact CE1-O 2.74Å; G251-T382 WeakPolarHBondContact CA-O 3.23Å
252	T	91.4	Very high	95.7	Very high	94 Å²	94	26.8 Å²	26.8	58%	0.577	14%	0.144	S	C	*	.	S	Bend	trans	-119	165	-176.1	59.9	0	0	0	0	112.3	F381 T382	T252-F381 CarbonylContact O-C 3.55Å; T252-F381 WeakPolarHBondContact O-CA 3.47Å; T252-F381 VanDerWaalsContact O-CB 3.32Å; T252-F381 WeakPolarHBondContact O-CB 3.48Å; T252-T382 PolarHBondContact N-OG1 2.92Å; T252-T382 PolarHBondContact O-N 2.72Å; T252-T382 PolarHBondContact OG1-OG1 3.35Å
253	G	93.3	Very high	95.7	Very high	27 Å²	27	28.8 Å²	28.8	28%	0.278	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	73.8	-147.2	-179.5	0	0	0	0	0	113.1	K255 K360 E379 S380	G253-K255 VanDerWaalsContact C-N 3.32Å; G253-K255 PolarHBondContact O-N 3.01Å; G253-K360 PolarHBondContact O-NZ 2.67Å; G253-E379 VanDerWaalsContact C-OE2 3.23Å; G253-E379 VanDerWaalsContact CA-OE2 3.26Å; G253-E379 WeakPolarHBondContact CA-OE2 3.34Å; G253-S380 WeakPolarHBondContact CA-O 3.34Å
254	G	92.3	Very high	95.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.01	15%	0.152	C	C	.	.			trans	63.8	31.1	170.8	0	0	0	0	0	115	K360 E379 S380 R385	G254-K360 PolarHBondContact O-NZ 2.71Å; G254-E379 PolarHBondContact N-OE2 3.19Å; G254-S380 PolarHBondContact N-O 3.22Å; G254-R385 PolarHBondContact O-NE 3.27Å; G254-R385 PolarHBondContact O-NH2 3.32Å
255	K	96.3	Very high	95.8	Very high	87 Å²	87	27.7 Å²	27.7	38%	0.378	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-66.1	147	163.2	-64.8	167.4	-167.9	153.9	0	110.2	G253 W358 K360 R378 E379	G253-K255 VanDerWaalsContact C-N 3.32Å; G253-K255 PolarHBondContact O-N 3.01Å; K255-W358 HydrophobicContact CB-CE3 3.82Å; K255-W358 HydrophobicContact CB-CZ3 4.37Å; K255-K360 HydrophobicContact CG-CB 4.36Å; K255-K360 HydrophobicContact CG-CD 4.19Å; K255-R378 WeakPolarHBondContact O-CA 3.33Å; K255-E379 HydrophobicContact CB-CB 4.3Å; K255-E379 WeakPolarHBondContact CD-OE2 3.45Å; K255-E379 VanDerWaalsContact CG-OE2 3.29Å; K255-E379 WeakPolarHBondContact CG-OE2 3.42Å; K255-E379 PolarHBondContact N-OE2 3.03Å; K255-E379 IonicContact NZ-OE1 3.74Å; K255-E379 PolarHBondContact O-N 3.45Å
256	T	97.4	Very high	95.8	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.043	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128.8	170.6	-56.3	0	0	0	0	108.8	L258 V359 G377	T256-L258 HydrophobicContact CG2-CD2 4.03Å; T256-L258 HydrophobicContact CG2-CG 4.25Å; T256-V359 PolarHBondContact N-O 3.44Å; T256-V359 PolarHBondContact O-N 3.48Å; T256-G377 WeakPolarHBondContact CA-O 3.42Å
257	L	98.4	Very high	96	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.1	167.6	171.3	61.8	0	0	0	108.8	R228 V259 E356 W358 H376 G377	R228-L257 HydrophobicContact CB-CD2 4.09Å; L257-V259 HydrophobicContact CD1-CG2 3.84Å; L257-V259 HydrophobicContact CD2-CG2 4.47Å; L257-V259 HydrophobicContact CG-CG2 4.12Å; L257-E356 HydrophobicContact CD1-CB 3.62Å; L257-E356 HydrophobicContact CD1-CG 3.78Å; L257-W358 HydrophobicContact CB-CD2 4.38Å; L257-W358 HydrophobicContact CB-CE3 3.98Å; L257-W358 HydrophobicContact CB-CH2 3.77Å; L257-W358 HydrophobicContact CB-CZ2 4.15Å; L257-W358 HydrophobicContact CB-CZ3 3.66Å; L257-W358 HydrophobicContact CD1-CD2 4.2Å; L257-W358 HydrophobicContact CD1-CH2 4.39Å; L257-W358 HydrophobicContact CD1-CZ2 3.89Å; L257-W358 HydrophobicContact CD2-CH2 4.29Å; L257-W358 HydrophobicContact CD2-CZ2 4.25Å; L257-W358 HydrophobicContact CG-CH2 4.37Å; L257-W358 HydrophobicContact CG-CZ2 4.31Å; L257-H376 CarbonylContact O-C 3.51Å; L257-H376 WeakPolarHBondContact O-CA 3.26Å; L257-G377 PolarHBondContact N-O 3.02Å; L257-G377 PolarHBondContact O-N 2.86Å
258	L	98.8	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.3	173.6	-58.5	167	0	0	0	108.8	W139 I176 F178 T256 L357 V359 I367 I369 V374 L375 H376	W139-L258 HydrophobicContact CH2-CB 4.11Å; I176-L258 HydrophobicContact CD1-CD1 3.82Å; I176-L258 HydrophobicContact CG2-CD1 4.43Å; I176-L258 HydrophobicContact CG2-CD2 4.31Å; F178-L258 HydrophobicContact CZ-CD1 4.35Å; T256-L258 HydrophobicContact CG2-CD2 4.03Å; T256-L258 HydrophobicContact CG2-CG 4.25Å; L258-L357 HydrophobicContact CB-CB 4.25Å; L258-L357 HydrophobicContact CD1-CD2 4.24Å; L258-L357 PolarHBondContact N-O 2.94Å; L258-L357 PolarHBondContact O-N 3.31Å; L258-V359 HydrophobicContact CD1-CG2 3.91Å; L258-I367 HydrophobicContact CD1-CD1 3.57Å; L258-I367 HydrophobicContact CD2-CD1 3.91Å; L258-I367 HydrophobicContact CG-CD1 4.36Å; L258-I369 HydrophobicContact CD2-CD1 3.73Å; L258-I369 HydrophobicContact CD2-CG1 4.22Å; L258-V374 HydrophobicContact CB-CG1 4.24Å; L258-V374 HydrophobicContact CD2-CG1 4.34Å; L258-L375 CarbonylContact C-O 3.58Å; L258-L375 WeakPolarHBondContact CA-O 3.27Å; L258-H376 HydrophobicContact CD2-CB 3.96Å
259	V	98.8	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	125	179.5	-177.2	0	0	0	0	109.2	L257 G261 L350 N355 E356 V374 L375	L257-V259 HydrophobicContact CD1-CG2 3.84Å; L257-V259 HydrophobicContact CD2-CG2 4.47Å; L257-V259 HydrophobicContact CG-CG2 4.12Å; V259-G261 PolarHBondContact O-N 3.31Å; V259-L350 HydrophobicContact CG1-CD2 3.92Å; V259-N355 HydrophobicContact CG1-CB 4.43Å; V259-E356 HydrophobicContact CG2-CG 4.45Å; V259-V374 CarbonylContact O-C 3.54Å; V259-V374 WeakPolarHBondContact O-CA 3.26Å; V259-L375 PolarHBondContact N-O 2.76Å; V259-L375 PolarHBondContact O-N 3.13Å
260	D	98.9	Very high	96.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	102.3	173.3	-170.9	-1.2	0	0	0	110.5	L138 W139 F262 Y263 A264 R373	L138-D260 WeakPolarHBondContact CA-OD2 3.48Å; W139-D260 HydrophobicContact CD2-CB 3.77Å; W139-D260 HydrophobicContact CE3-CB 4.14Å; W139-D260 HydrophobicContact CG-CB 4.17Å; W139-D260 HydrophobicContact CH2-CB 4.31Å; W139-D260 HydrophobicContact CZ2-CB 3.97Å; W139-D260 HydrophobicContact CZ3-CB 4.39Å; W139-D260 PolarHBondContact N-OD2 3.23Å; W139-D260 VanDerWaalsContact O-CB 3.32Å; W139-D260 WeakPolarHBondContact O-CB 3.3Å; D260-F262 PolarHBondContact O-N 3.41Å; D260-F262 PolarHBondContact OD1-N 3.28Å; D260-F262 VanDerWaalsContact OD1-N 3.17Å; D260-Y263 PolarHBondContact O-N 3.36Å; D260-A264 PolarHBondContact O-N 2.73Å; D260-A264 VanDerWaalsContact O-N 3.16Å; D260-R373 WeakPolarHBondContact OD1-CG 3.45Å; D260-R373 IonicContact OD1-CZ 2.73Å; D260-R373 IonicContact OD1-NE 2.83Å; D260-R373 PolarHBondContact OD1-NE 3.29Å; D260-R373 IonicContact OD1-NH2 2.77Å; D260-R373 IonicContact OD2-CZ 3.54Å; D260-R373 IonicContact OD2-NE 2.79Å; D260-R373 IonicContact OD2-NH2 3.5Å; D260-R373 PolarHBondContact OD2-NH2 2.74Å
261	G	98.8	Very high	97.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-27.8	180	0	0	0	0	0	112.8	V259 A265 R373	V259-G261 PolarHBondContact O-N 3.31Å; G261-A265 WeakPolarHBondContact O-CB 3.34Å; G261-A265 PolarHBondContact O-N 3.18Å; G261-R373 WeakPolarHBondContact CA-O 3.49Å; G261-R373 PolarHBondContact N-O 3.21Å
262	F	98.8	Very high	97.5	Very high	3 Å²	3	34.3 Å²	34.3	1%	0.013	17%	0.165	C	C	.	.	H	α-helix	trans	-75	-39.7	177.5	-67.7	3.7	0	0	0	111.1	L138 D260 A264 A265 E266 L315 I318 W372 R373	L138-F262 HydrophobicContact CD2-CB 3.59Å; D260-F262 PolarHBondContact O-N 3.41Å; D260-F262 PolarHBondContact OD1-N 3.28Å; D260-F262 VanDerWaalsContact OD1-N 3.17Å; F262-A264 VanDerWaalsContact C-N 3.35Å; F262-A264 PolarHBondContact O-N 2.73Å; F262-A265 PolarHBondContact O-N 2.75Å; F262-E266 WeakPolarHBondContact O-CG 3.41Å; F262-E266 PolarHBondContact O-N 3.49Å; F262-L315 HydrophobicContact CB-CD1 4.21Å; F262-L315 HydrophobicContact CD1-CB 4.09Å; F262-L315 HydrophobicContact CD1-CD1 4.24Å; F262-L315 HydrophobicContact CD2-CB 4.13Å; F262-L315 HydrophobicContact CE1-CB 4.19Å; F262-L315 HydrophobicContact CE2-CB 4.23Å; F262-L315 WeakPolarHBondContact CE2-O 3.44Å; F262-L315 HydrophobicContact CG-CB 4.08Å; F262-L315 HydrophobicContact CG-CD1 4.22Å; F262-L315 HydrophobicContact CZ-CB 4.28Å; F262-I318 HydrophobicContact CD1-CB 4.49Å; F262-I318 HydrophobicContact CD1-CG2 4.32Å; F262-I318 HydrophobicContact CE1-CB 4.22Å; F262-I318 HydrophobicContact CE1-CG2 4.06Å; F262-W372 VanDerWaalsContact CE1-O 3.31Å; F262-W372 WeakPolarHBondContact CE1-O 3.37Å; F262-W372 WeakPolarHBondContact CZ-O 3.29Å; F262-R373 HydrophobicContact CB-CG 4.35Å; F262-R373 HydrophobicContact CD1-CB 4.36Å; F262-R373 HydrophobicContact CD1-CG 4.03Å; F262-R373 HydrophobicContact CD2-CB 4.31Å; F262-R373 HydrophobicContact CD2-CG 3.7Å; F262-R373 HydrophobicContact CE1-CB 4.01Å; F262-R373 HydrophobicContact CE1-CG 4.17Å; F262-R373 HydrophobicContact CE2-CB 3.96Å; F262-R373 HydrophobicContact CE2-CG 3.86Å; F262-R373 HydrophobicContact CG-CB 4.49Å; F262-R373 HydrophobicContact CG-CG 3.77Å; F262-R373 HydrophobicContact CZ-CB 3.78Å; F262-R373 HydrophobicContact CZ-CG 4.08Å
263	Y	98.9	Very high	97.9	Very high	42 Å²	42	33.8 Å²	33.8	17%	0.165	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-47.9	171.8	178.6	-87.9	0	0	0	111.3	L138 W139 N140 D260 A265 E266 K267 N355	L138-Y263 HydrophobicContact CB-CD2 4.13Å; W139-Y263 WeakPolarHBondContact O-CB 3.38Å; N140-Y263 HydrophobicContact CB-CD1 4.37Å; N140-Y263 HydrophobicContact CB-CE1 3.9Å; N140-Y263 HydrophobicContact CB-CE2 4.44Å; D260-Y263 PolarHBondContact O-N 3.36Å; Y263-A265 PolarHBondContact O-N 2.97Å; Y263-E266 PolarHBondContact O-N 2.93Å; Y263-K267 HydrophobicContact CD1-CG 4.22Å; Y263-K267 HydrophobicContact CE1-CG 3.79Å; Y263-K267 VanDerWaalsContact CZ-CE 3.48Å; Y263-K267 WeakPolarHBondContact O-CG 3.33Å; Y263-K267 PolarHBondContact O-N 3.28Å; Y263-K267 WeakPolarHBondContact OH-CE 3.33Å; Y263-N355 WeakPolarHBondContact CE1-OD1 3.4Å
264	A	98.8	Very high	98.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-39.3	177.6	0	0	0	0	0	112.7	D260 F262 K267 L268 L346 E349 L350	D260-A264 PolarHBondContact O-N 2.73Å; D260-A264 VanDerWaalsContact O-N 3.16Å; F262-A264 VanDerWaalsContact C-N 3.35Å; F262-A264 PolarHBondContact O-N 2.73Å; A264-K267 PolarHBondContact O-N 2.7Å; A264-L268 PolarHBondContact O-N 3.07Å; A264-L346 HydrophobicContact CB-CD1 4.44Å; A264-E349 HydrophobicContact CB-CB 4.27Å; A264-E349 HydrophobicContact CB-CG 3.73Å; A264-L350 HydrophobicContact CB-CD2 3.49Å; A264-L350 VanDerWaalsContact CB-CD2 3.49Å; A264-L350 HydrophobicContact CB-CG 3.94Å
265	A	98.8	Very high	98.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-67.8	-36.4	176.3	0	0	0	0	0	112.8	G261 F262 Y263 L268 R269 F276 L306 L315 L346	G261-A265 WeakPolarHBondContact O-CB 3.34Å; G261-A265 PolarHBondContact O-N 3.18Å; F262-A265 PolarHBondContact O-N 2.75Å; Y263-A265 PolarHBondContact O-N 2.97Å; A265-L268 WeakPolarHBondContact O-CB 3.43Å; A265-L268 PolarHBondContact O-N 3.38Å; A265-R269 PolarHBondContact O-N 2.91Å; A265-F276 HydrophobicContact CB-CE2 4.2Å; A265-F276 WeakPolarHBondContact O-CD2 3.34Å; A265-L306 HydrophobicContact CB-CD1 4.1Å; A265-L306 HydrophobicContact CB-CD2 3.74Å; A265-L315 HydrophobicContact CB-CD1 3.66Å; A265-L346 HydrophobicContact CB-CD1 4.44Å
266	E	98.6	Very high	98.5	Very high	40 Å²	40	37.2 Å²	37.2	19%	0.187	17%	0.174	C	C	.	.	H	α-helix	trans	-64.6	-40.6	170	-71.8	-55.3	154	0	0	111.9	L138 F262 Y263 L268 R269 Q270	L138-E266 HydrophobicContact CD1-CB 4.34Å; L138-E266 HydrophobicContact CD1-CG 3.37Å; F262-E266 WeakPolarHBondContact O-CG 3.41Å; F262-E266 PolarHBondContact O-N 3.49Å; Y263-E266 PolarHBondContact O-N 2.93Å; E266-L268 VanDerWaalsContact C-N 3.28Å; E266-L268 PolarHBondContact O-N 2.8Å; E266-R269 VanDerWaalsContact CD-CZ 3.42Å; E266-R269 VanDerWaalsContact CD-NH2 3.3Å; E266-R269 PolarHBondContact O-N 2.88Å; E266-R269 VanDerWaalsContact O-N 3.15Å; E266-R269 IonicContact OE1-CZ 3.82Å; E266-R269 IonicContact OE1-NH1 3.69Å; E266-R269 PolarHBondContact OE1-NH1 2.92Å; E266-R269 IonicContact OE1-NH2 3.05Å; E266-R269 PolarHBondContact OE1-NH2 3.17Å; E266-R269 IonicContact OE2-CZ 2.83Å; E266-R269 IonicContact OE2-NE 3.73Å; E266-R269 IonicContact OE2-NH1 3.42Å; E266-R269 PolarHBondContact OE2-NH1 3.06Å; E266-R269 IonicContact OE2-NH2 3.83Å; E266-Q270 WeakPolarHBondContact O-CB 3.41Å; E266-Q270 VanDerWaalsContact O-CG 3.28Å; E266-Q270 WeakPolarHBondContact O-CG 3.46Å; E266-Q270 PolarHBondContact O-N 2.94Å
267	K	98.6	Very high	98.6	Very high	65 Å²	65	39.9 Å²	39.9	28%	0.283	19%	0.185	S	C	.	.	H	α-helix	trans	-65.3	-31.4	174.5	-69.9	-63.9	177.6	-166.1	0	112.6	Y263 A264 R271 E349	Y263-K267 HydrophobicContact CD1-CG 4.22Å; Y263-K267 HydrophobicContact CE1-CG 3.79Å; Y263-K267 VanDerWaalsContact CZ-CE 3.48Å; Y263-K267 WeakPolarHBondContact O-CG 3.33Å; Y263-K267 PolarHBondContact O-N 3.28Å; Y263-K267 WeakPolarHBondContact OH-CE 3.33Å; A264-K267 PolarHBondContact O-N 2.7Å; K267-R271 WeakPolarHBondContact O-CG 3.45Å; K267-R271 PolarHBondContact O-N 2.75Å; K267-R271 PolarHBondContact O-NE 2.82Å; K267-R271 PolarHBondContact O-NH2 3.44Å; K267-E349 HydrophobicContact CB-CG 3.8Å; K267-E349 WeakPolarHBondContact CB-OE1 3.4Å
268	L	98.6	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.6	-52.4	166.1	-178.4	65.9	0	0	0	110.9	A264 A265 E266 Q270 R271 S272 N275 F276 L279 E345 L346	A264-L268 PolarHBondContact O-N 3.07Å; A265-L268 WeakPolarHBondContact O-CB 3.43Å; A265-L268 PolarHBondContact O-N 3.38Å; E266-L268 VanDerWaalsContact C-N 3.28Å; E266-L268 PolarHBondContact O-N 2.8Å; L268-Q270 VanDerWaalsContact C-N 3.25Å; L268-Q270 PolarHBondContact O-N 3.4Å; L268-R271 PolarHBondContact O-N 3.36Å; L268-S272 CarbonylContact O-C 3.55Å; L268-S272 PolarHBondContact O-N 3.42Å; L268-N275 HydrophobicContact CD1-CB 4.12Å; L268-F276 HydrophobicContact CD2-CB 4.32Å; L268-F276 HydrophobicContact CG-CB 4.24Å; L268-L279 HydrophobicContact CD2-CD1 3.73Å; L268-E345 HydrophobicContact CD1-CB 3.67Å; L268-L346 HydrophobicContact CD2-CB 4.11Å; L268-L346 HydrophobicContact CD2-CD1 4.43Å
269	R	98.5	Very high	98.5	Very high	62 Å²	62	41 Å²	41	23%	0.234	19%	0.191	C	C	.	.	H	α-helix	trans	-54.8	-39.9	-179.1	-162.4	-173.1	-57.6	141.7	17.9	112.8	A265 E266 P273 F276	A265-R269 PolarHBondContact O-N 2.91Å; E266-R269 VanDerWaalsContact CD-CZ 3.42Å; E266-R269 VanDerWaalsContact CD-NH2 3.3Å; E266-R269 PolarHBondContact O-N 2.88Å; E266-R269 VanDerWaalsContact O-N 3.15Å; E266-R269 IonicContact OE1-CZ 3.82Å; E266-R269 IonicContact OE1-NH1 3.69Å; E266-R269 PolarHBondContact OE1-NH1 2.92Å; E266-R269 IonicContact OE1-NH2 3.05Å; E266-R269 PolarHBondContact OE1-NH2 3.17Å; E266-R269 IonicContact OE2-CZ 2.83Å; E266-R269 IonicContact OE2-NE 3.73Å; E266-R269 IonicContact OE2-NH1 3.42Å; E266-R269 PolarHBondContact OE2-NH1 3.06Å; E266-R269 IonicContact OE2-NH2 3.83Å; R269-P273 WeakPolarHBondContact O-CG 3.49Å; R269-F276 HydrophobicContact CB-CB 4.03Å; R269-F276 HydrophobicContact CB-CD1 4.22Å; R269-F276 HydrophobicContact CB-CD2 3.68Å; R269-F276 HydrophobicContact CB-CE2 4.24Å; R269-F276 HydrophobicContact CB-CG 3.69Å; R269-F276 HydrophobicContact CG-CB 4.18Å; R269-F276 HydrophobicContact CG-CD1 3.76Å; R269-F276 HydrophobicContact CG-CD2 4.15Å; R269-F276 HydrophobicContact CG-CE1 4.24Å; R269-F276 HydrophobicContact CG-CG 3.73Å; R269-F276 VanDerWaalsContact CZ-CZ 3.48Å; R269-F276 VanDerWaalsContact NH2-CE2 3.31Å
270	Q	98.3	Very high	98.5	Very high	128 Å²	128	41.7 Å²	41.7	60%	0.598	20%	0.196	S	C	*	.	H	α-helix	trans	-67.5	-31.5	178.3	-73.2	168.6	13.1	0	0	113.6	E266 L268	E266-Q270 WeakPolarHBondContact O-CB 3.41Å; E266-Q270 VanDerWaalsContact O-CG 3.28Å; E266-Q270 WeakPolarHBondContact O-CG 3.46Å; E266-Q270 PolarHBondContact O-N 2.94Å; L268-Q270 VanDerWaalsContact C-N 3.25Å; L268-Q270 PolarHBondContact O-N 3.4Å
271	R	98	Very high	98.3	Very high	139 Å²	139	50.3 Å²	50.3	53%	0.525	23%	0.229	S	C	.	.	H	α-helix	trans	-98.2	-37.6	-175.9	-68.9	177.5	-62.3	-166.2	0.2	113.6	K267 L268 E349	K267-R271 WeakPolarHBondContact O-CG 3.45Å; K267-R271 PolarHBondContact O-N 2.75Å; K267-R271 PolarHBondContact O-NE 2.82Å; K267-R271 PolarHBondContact O-NH2 3.44Å; L268-R271 PolarHBondContact O-N 3.36Å; R271-E349 IonicContact CZ-OE2 3.1Å; R271-E349 IonicContact NH1-OE2 2.7Å; R271-E349 PolarHBondContact NH1-OE2 2.88Å; R271-E349 VanDerWaalsContact NH2-CD 3.31Å; R271-E349 IonicContact NH2-OE2 3.02Å; R271-E349 PolarHBondContact NH2-OE2 2.82Å
272	S	98.2	Very high	98.2	Very high	24 Å²	24	51.1 Å²	51.1	17%	0.168	23%	0.234	C	C	.	.			trans	-143.2	84.1	-179.8	-172.8	0	0	0	0	109.8	L268 E274 N275 F276 E345	L268-S272 CarbonylContact O-C 3.55Å; L268-S272 PolarHBondContact O-N 3.42Å; S272-E274 PolarHBondContact O-N 3.33Å; S272-N275 PolarHBondContact O-N 2.79Å; S272-N275 WeakPolarHBondContact OG-CB 3.48Å; S272-N275 VanDerWaalsContact OG-CG 3.22Å; S272-N275 PolarHBondContact OG-N 3.22Å; S272-N275 PolarHBondContact OG-ND2 3.23Å; S272-F276 PolarHBondContact O-N 3.11Å; S272-F276 VanDerWaalsContact O-N 3.07Å; S272-E345 WeakPolarHBondContact CB-OE2 3.33Å
273	P	98.3	Very high	98	Very high	82 Å²	82	53.5 Å²	53.5	53%	0.532	25%	0.249	S	C	.	.	H	α-helix	trans	-55.9	-36.6	176.7	-23.9	31.9	0	0	0	112.7	R269 F276 E277	R269-P273 WeakPolarHBondContact O-CG 3.49Å; P273-F276 PolarHBondContact O-N 3.01Å; P273-E277 WeakPolarHBondContact O-CB 3.5Å; P273-E277 PolarHBondContact O-N 2.83Å
274	E	98.3	Very high	97.8	Very high	163 Å²	163	51.7 Å²	51.7	76%	0.762	24%	0.242	S	C	*	.	H	α-helix	trans	-64.5	-41.9	178.5	-63.4	-175.5	-170.8	0	0	112.4	S272 E277 L278	S272-E274 PolarHBondContact O-N 3.33Å; E274-E277 PolarHBondContact O-N 2.84Å; E274-L278 VanDerWaalsContact O-CB 3.31Å; E274-L278 WeakPolarHBondContact O-CB 3.24Å; E274-L278 PolarHBondContact O-N 3.1Å
275	N	98.5	Very high	97.6	Very high	20 Å²	20	55.2 Å²	55.2	11%	0.107	26%	0.256	C	S	.	.	H	α-helix	trans	-69.7	-38.4	176.9	-75.5	-23.2	0	0	0	111.6	L268 S272 L278 L279 A342 E345	L268-N275 HydrophobicContact CD1-CB 4.12Å; S272-N275 PolarHBondContact O-N 2.79Å; S272-N275 WeakPolarHBondContact OG-CB 3.48Å; S272-N275 VanDerWaalsContact OG-CG 3.22Å; S272-N275 PolarHBondContact OG-N 3.22Å; S272-N275 PolarHBondContact OG-ND2 3.23Å; N275-L278 PolarHBondContact O-N 3.22Å; N275-L279 WeakPolarHBondContact O-CG 3.33Å; N275-L279 PolarHBondContact O-N 2.69Å; N275-L279 VanDerWaalsContact O-N 3.13Å; N275-A342 HydrophobicContact CB-CB 3.53Å; N275-E345 PolarHBondContact ND2-OE1 2.9Å; N275-E345 VanDerWaalsContact ND2-OE1 3.08Å; N275-E345 PolarHBondContact ND2-OE2 3.41Å
276	F	98.7	Very high	97.5	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.022	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-50	172	175.8	-87.7	0	0	0	111.3	A265 L268 R269 S272 P273 L278 L279 C280 L306 I308 L315	A265-F276 HydrophobicContact CB-CE2 4.2Å; A265-F276 WeakPolarHBondContact O-CD2 3.34Å; L268-F276 HydrophobicContact CD2-CB 4.32Å; L268-F276 HydrophobicContact CG-CB 4.24Å; R269-F276 HydrophobicContact CB-CB 4.03Å; R269-F276 HydrophobicContact CB-CD1 4.22Å; R269-F276 HydrophobicContact CB-CD2 3.68Å; R269-F276 HydrophobicContact CB-CE2 4.24Å; R269-F276 HydrophobicContact CB-CG 3.69Å; R269-F276 HydrophobicContact CG-CB 4.18Å; R269-F276 HydrophobicContact CG-CD1 3.76Å; R269-F276 HydrophobicContact CG-CD2 4.15Å; R269-F276 HydrophobicContact CG-CE1 4.24Å; R269-F276 HydrophobicContact CG-CG 3.73Å; R269-F276 VanDerWaalsContact CZ-CZ 3.48Å; R269-F276 VanDerWaalsContact NH2-CE2 3.31Å; S272-F276 PolarHBondContact O-N 3.11Å; S272-F276 VanDerWaalsContact O-N 3.07Å; P273-F276 PolarHBondContact O-N 3.01Å; F276-L278 VanDerWaalsContact C-N 3.31Å; F276-L278 PolarHBondContact O-N 2.69Å; F276-L279 PolarHBondContact O-N 3.49Å; F276-C280 WeakPolarHBondContact CE1-SG 3.41Å; F276-C280 WeakPolarHBondContact CZ-SG 3.44Å; F276-C280 PolarHBondContact O-N 3.41Å; F276-C280 PolarHBondContact O-SG 2.94Å; F276-L306 HydrophobicContact CD2-CD1 3.58Å; F276-L306 HydrophobicContact CE2-CD1 3.6Å; F276-L306 HydrophobicContact CG-CD1 4.41Å; F276-L306 HydrophobicContact CZ-CD1 4.42Å; F276-I308 HydrophobicContact CE1-CG2 4.36Å; F276-I308 HydrophobicContact CZ-CG2 3.95Å; F276-L315 HydrophobicContact CE2-CD1 4.23Å; F276-L315 HydrophobicContact CE2-CD2 4.15Å; F276-L315 HydrophobicContact CE2-CG 4.44Å; F276-L315 HydrophobicContact CZ-CD2 4.04Å; F276-L315 HydrophobicContact CZ-CG 4.3Å
277	E	98.2	Very high	97.4	Very high	62 Å²	62	56 Å²	56	29%	0.29	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-38.6	-179.3	-170.1	65.1	-170.9	0	0	111.8	P273 E274 L279 C280 R281	P273-E277 WeakPolarHBondContact O-CB 3.5Å; P273-E277 PolarHBondContact O-N 2.83Å; E274-E277 PolarHBondContact O-N 2.84Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 2.63Å; E277-C280 WeakPolarHBondContact O-CB 3.47Å; E277-C280 PolarHBondContact O-N 3.1Å; E277-C280 VanDerWaalsContact O-N 3.12Å; E277-R281 WeakPolarHBondContact O-CG 3.31Å; E277-R281 PolarHBondContact O-N 3.05Å; E277-R281 IonicContact OE1-CZ 2.86Å; E277-R281 IonicContact OE1-NE 3.64Å; E277-R281 PolarHBondContact OE1-NE 2.76Å; E277-R281 IonicContact OE1-NH2 2.7Å; E277-R281 PolarHBondContact OE1-NH2 2.94Å
278	L	97.8	Very high	97.3	Very high	24 Å²	24	53.6 Å²	53.6	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-40.7	176.2	-172.2	65.3	0	0	0	112.2	E274 N275 F276 C280 R281 V282 T335 R338 W339 A342	E274-L278 VanDerWaalsContact O-CB 3.31Å; E274-L278 WeakPolarHBondContact O-CB 3.24Å; E274-L278 PolarHBondContact O-N 3.1Å; N275-L278 PolarHBondContact O-N 3.22Å; F276-L278 VanDerWaalsContact C-N 3.31Å; F276-L278 PolarHBondContact O-N 2.69Å; L278-C280 VanDerWaalsContact C-N 3.27Å; L278-C280 PolarHBondContact O-N 2.59Å; L278-R281 PolarHBondContact O-N 3.44Å; L278-V282 HydrophobicContact CD1-CG2 3.58Å; L278-V282 HydrophobicContact CG-CG2 4.16Å; L278-V282 WeakPolarHBondContact O-CB 3.45Å; L278-V282 WeakPolarHBondContact O-CG2 3.34Å; L278-V282 PolarHBondContact O-N 2.81Å; L278-V282 VanDerWaalsContact O-N 3.09Å; L278-T335 HydrophobicContact CD1-CG2 3.75Å; L278-R338 VanDerWaalsContact CD2-C 3.42Å; L278-R338 HydrophobicContact CD2-CB 3.65Å; L278-W339 HydrophobicContact CD2-CB 4.2Å; L278-A342 HydrophobicContact CD2-CB 4.28Å
279	L	98.2	Very high	97	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.4	-18.1	174.7	-67.9	-178.6	0	0	0	113.6	L268 N275 F276 E277 P304 V305 L306 W339 A342 H343 L346	L268-L279 HydrophobicContact CD2-CD1 3.73Å; N275-L279 WeakPolarHBondContact O-CG 3.33Å; N275-L279 PolarHBondContact O-N 2.69Å; N275-L279 VanDerWaalsContact O-N 3.13Å; F276-L279 PolarHBondContact O-N 3.49Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 2.63Å; L279-P304 WeakPolarHBondContact O-CB 3.37Å; L279-V305 HydrophobicContact CB-CB 4.46Å; L279-V305 HydrophobicContact CD2-CB 4.39Å; L279-V305 HydrophobicContact CD2-CG2 4.32Å; L279-V305 PolarHBondContact O-N 2.86Å; L279-L306 HydrophobicContact CB-CD1 3.84Å; L279-L306 HydrophobicContact CB-CG 4.04Å; L279-L306 HydrophobicContact CD1-CD1 4.3Å; L279-L306 PolarHBondContact O-N 2.99Å; L279-L306 VanDerWaalsContact O-N 3.1Å; L279-W339 HydrophobicContact CD2-CZ2 4.45Å; L279-A342 HydrophobicContact CD1-CB 4.27Å; L279-A342 HydrophobicContact CD2-CB 4.13Å; L279-A342 HydrophobicContact CG-CB 3.89Å; L279-H343 HydrophobicContact CD2-CB 4.41Å; L279-L346 HydrophobicContact CD1-CB 3.89Å; L279-L346 HydrophobicContact CD1-CD2 3.72Å; L279-L346 HydrophobicContact CD1-CG 4.41Å
280	C	98.2	Very high	96.6	Very high	16 Å²	16	55.6 Å²	55.6	11%	0.108	26%	0.263	C	S	.	.	H	α-helix	trans	-82.7	-33.1	172.2	-64.1	0	0	0	0	113.3	F276 E277 L278 P304 L306 I308	F276-C280 WeakPolarHBondContact CE1-SG 3.41Å; F276-C280 WeakPolarHBondContact CZ-SG 3.44Å; F276-C280 PolarHBondContact O-N 3.41Å; F276-C280 PolarHBondContact O-SG 2.94Å; E277-C280 WeakPolarHBondContact O-CB 3.47Å; E277-C280 PolarHBondContact O-N 3.1Å; E277-C280 VanDerWaalsContact O-N 3.12Å; L278-C280 VanDerWaalsContact C-N 3.27Å; L278-C280 PolarHBondContact O-N 2.59Å; C280-P304 WeakPolarHBondContact O-CB 3.32Å; C280-P304 WeakPolarHBondContact O-CG 3.47Å; C280-L306 WeakPolarHBondContact CA-O 3.12Å; C280-L306 VanDerWaalsContact SG-CB 3.57Å; C280-I308 HydrophobicContact CB-CD1 4.27Å; C280-I308 HydrophobicContact CB-CG1 4.42Å
281	R	95.6	Very high	96.3	Very high	182 Å²	182	55.2 Å²	55.2	69%	0.687	27%	0.265	S	S	*	.	H	α-helix	trans	-94.3	-29.4	-174.1	-68.8	-174	-173.8	-163.2	4.8	115.1	E277 L278 P283	E277-R281 WeakPolarHBondContact O-CG 3.31Å; E277-R281 PolarHBondContact O-N 3.05Å; E277-R281 IonicContact OE1-CZ 2.86Å; E277-R281 IonicContact OE1-NE 3.64Å; E277-R281 PolarHBondContact OE1-NE 2.76Å; E277-R281 IonicContact OE1-NH2 2.7Å; E277-R281 PolarHBondContact OE1-NH2 2.94Å; L278-R281 PolarHBondContact O-N 3.44Å; R281-P283 VanDerWaalsContact O-CD 3.23Å; R281-P283 WeakPolarHBondContact O-CD 3.4Å
282	V	95.7	Very high	95.6	Very high	17 Å²	17	51.2 Å²	51.2	10%	0.103	26%	0.256	C	S	.	.			trans	-89.9	112.4	-172.2	174.1	0	0	0	0	110.8	L278 I284 P304 M331 T335	L278-V282 HydrophobicContact CD1-CG2 3.58Å; L278-V282 HydrophobicContact CG-CG2 4.16Å; L278-V282 WeakPolarHBondContact O-CB 3.45Å; L278-V282 WeakPolarHBondContact O-CG2 3.34Å; L278-V282 PolarHBondContact O-N 2.81Å; L278-V282 VanDerWaalsContact O-N 3.09Å; V282-I284 HydrophobicContact CG1-CG2 4.49Å; V282-P304 WeakPolarHBondContact O-CA 3.23Å; V282-M331 HydrophobicContact CB-CE 4.42Å; V282-M331 HydrophobicContact CG1-CE 3.47Å; V282-M331 VanDerWaalsContact CG1-CE 3.47Å; V282-M331 HydrophobicContact CG1-CG 3.77Å; V282-M331 HydrophobicContact CG1-SD 3.52Å; V282-M331 VanDerWaalsContact CG1-SD 3.52Å; V282-M331 HydrophobicContact CG2-CE 4.14Å; V282-T335 HydrophobicContact CG2-CG2 4.27Å
283	P	94.6	Very high	95	Very high	53 Å²	53	59.3 Å²	59.3	34%	0.344	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.3	173.2	32.5	-34.3	0	0	0	111.4	R281 I302 G303 T330	R281-P283 VanDerWaalsContact O-CD 3.23Å; R281-P283 WeakPolarHBondContact O-CD 3.4Å; P283-I302 HydrophobicContact CB-CG2 3.86Å; P283-G303 WeakPolarHBondContact CA-O 3.37Å; P283-T330 PolarHBondContact O-OG1 3.17Å
284	I	95	Very high	94.3	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.015	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	154.9	170.9	58.5	159	0	0	0	110.4	V282 H286 I302 G303 V305 R325 M328 W339	V282-I284 HydrophobicContact CG1-CG2 4.49Å; I284-H286 VanDerWaalsContact CD1-CE1 3.44Å; I284-H286 WeakPolarHBondContact CD1-CE1 3.2Å; I284-I302 WeakPolarHBondContact O-CA 3.48Å; I284-G303 PolarHBondContact N-O 3.33Å; I284-G303 PolarHBondContact O-N 2.9Å; I284-G303 VanDerWaalsContact O-N 3.13Å; I284-V305 HydrophobicContact CD1-CG2 3.85Å; I284-V305 HydrophobicContact CG1-CG2 4.26Å; I284-R325 HydrophobicContact CD1-CG 4.14Å; I284-M328 HydrophobicContact CG2-CG 4.31Å; I284-M328 HydrophobicContact CG2-SD 3.82Å; I284-W339 HydrophobicContact CD1-CH2 4.42Å; I284-W339 HydrophobicContact CD1-CZ2 3.94Å; I284-W339 HydrophobicContact CG2-CZ2 3.78Å
285	R	96	Very high	93.6	Very high	74 Å²	74	57.6 Å²	57.6	28%	0.279	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.2	174.5	-173.1	-175.1	-63	-160.2	-1	110.3	G301 I302 S326	R285-G301 CarbonylContact C-O 3.58Å; R285-G301 WeakPolarHBondContact CA-O 3.49Å; R285-I302 HydrophobicContact CB-CG1 4.24Å; R285-I302 HydrophobicContact CG-CG1 4.18Å; R285-S326 PolarHBondContact O-N 3.46Å
286	H	96.4	Very high	93.2	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.009	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	147.2	163.7	-57.4	82.4	0	0	0	108.4	S233 I284 T300 G301 D324	S233-H286 WeakPolarHBondContact O-CB 3.42Å; S233-H286 PolarHBondContact OG-CD2 3.23Å; I284-H286 VanDerWaalsContact CD1-CE1 3.44Å; I284-H286 WeakPolarHBondContact CD1-CE1 3.2Å; H286-T300 WeakPolarHBondContact O-CA 3.4Å; H286-G301 PolarHBondContact N-O 2.82Å; H286-G301 PolarHBondContact O-N 3.05Å; H286-D324 CarbonylContact C-O 3.6Å; H286-D324 WeakPolarHBondContact CA-O 3.47Å; H286-D324 HydrophobicContact CB-CB 4.19Å
287	E	96.3	Very high	92.9	Very high	54 Å²	54	67.5 Å²	67.5	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	138.7	-171.4	-177.7	160.6	-136.4	0	0	111.4	I289 H298 M299 T300 D324 S326	E287-I289 HydrophobicContact CG-CD1 4.23Å; E287-I289 HydrophobicContact CG-CG1 4.04Å; E287-H298 IonicContact OE1-CD2 3.41Å; E287-H298 IonicContact OE1-CE1 3.6Å; E287-H298 IonicContact OE1-NE2 2.89Å; E287-H298 PolarHBondContact OE1-NE2 3.48Å; E287-M299 WeakPolarHBondContact CA-O 3.47Å; E287-T300 HydrophobicContact CB-CG2 4.24Å; E287-T300 HydrophobicContact CG-CG2 3.94Å; E287-D324 PolarHBondContact N-O 3.33Å; E287-S326 PolarHBondContact OE2-OG 2.86Å
288	Y	95.1	Very high	92.8	Very high	15 Å²	15	70.5 Å²	70.5	6%	0.059	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.9	171.7	178.1	-106.9	0	0	0	109.3	Y204 Y234 E290 N297 H298 M299	Y204-Y288 WeakPolarHBondContact OH-CE1 3.39Å; Y204-Y288 PolarHBondContact OH-OH 2.71Å; Y234-Y288 HydrophobicContact CD2-CG 4.23Å; Y234-Y288 HydrophobicContact CE1-CD2 4.37Å; Y234-Y288 HydrophobicContact CE1-CG 4.25Å; Y234-Y288 HydrophobicContact CE2-CD1 4.09Å; Y234-Y288 AromaticContact CE2-CG 3.87Å; Y234-Y288 HydrophobicContact CE2-CG 3.87Å; Y234-Y288 VanDerWaalsContact CG-CB 3.46Å; Y234-Y288 AromaticContact CZ-CG 3.91Å; Y288-E290 HydrophobicContact CE1-CB 3.7Å; Y288-N297 HydrophobicContact CD1-CB 4.42Å; Y288-N297 HydrophobicContact CE1-CB 4.23Å; Y288-H298 WeakPolarHBondContact O-CA 3.08Å; Y288-M299 PolarHBondContact N-O 2.96Å; Y288-M299 PolarHBondContact O-N 3.45Å
289	I	93.1	Very high	92.7	Very high	102 Å²	102	71.6 Å²	71.6	52%	0.523	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	111.8	177.8	-55.6	179	0	0	0	108.1	E287 N297	E287-I289 HydrophobicContact CG-CD1 4.23Å; E287-I289 HydrophobicContact CG-CG1 4.04Å; I289-N297 CarbonylContact C-O 3.41Å; I289-N297 WeakPolarHBondContact CA-O 3.26Å
290	E	91	Very high	92.6	Very high	3 Å²	3	74.4 Å²	74.4	1%	0.014	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	123.5	169.9	-170.3	176.6	-147.8	0	0	108.2	R216 Y288 T292 H295 R296 N297	R216-E290 WeakPolarHBondContact CD-OE1 3.28Å; R216-E290 IonicContact NH1-OE1 3.72Å; R216-E290 PolarHBondContact NH1-OE1 3.2Å; R216-E290 IonicContact NH1-OE2 2.67Å; R216-E290 PolarHBondContact NH1-OE2 2.89Å; Y288-E290 HydrophobicContact CE1-CB 3.7Å; E290-T292 HydrophobicContact CG-CG2 4.14Å; E290-H295 HydrophobicContact CG-CB 4.09Å; E290-H295 VanDerWaalsContact OE2-CB 3.32Å; E290-H295 WeakPolarHBondContact OE2-CB 3.4Å; E290-H295 IonicContact OE2-CG 2.75Å; E290-R296 CarbonylContact O-C 3.57Å; E290-R296 VanDerWaalsContact O-CA 3.3Å; E290-R296 WeakPolarHBondContact O-CA 3.37Å; E290-N297 HydrophobicContact CB-CB 4.06Å; E290-N297 PolarHBondContact N-O 3.44Å; E290-N297 PolarHBondContact O-N 2.79Å; E290-N297 PolarHBondContact OE2-ND2 3.13Å
291	N	90.5	Very high	92.4	Very high	120 Å²	120	73.7 Å²	73.7	64%	0.642	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	76.7	177.4	-171.2	58.2	0	0	0	108.9	R296	N291-R296 PolarHBondContact OD1-NE 2.9Å
292	T	84.9	Confident	92.4	Very high	55 Å²	55	69.4 Å²	69.4	34%	0.337	34%	0.339	S	S	.	.			trans	-106.7	172.8	175.1	67	0	0	0	0	109.7	E290 N294 H295	E290-T292 HydrophobicContact CG-CG2 4.14Å; T292-N294 PolarHBondContact O-N 3.2Å; T292-H295 PolarHBondContact N-O 2.84Å; T292-H295 WeakPolarHBondContact OG1-CB 3.39Å; T292-H295 PolarHBondContact OG1-N 2.88Å; T292-H295 PolarHBondContact OG1-O 3.28Å
293	E	84.7	Confident	92.4	Very high	193 Å²	193	68.9 Å²	68.9	90%	0.902	34%	0.338	S	S	*	.	S	Bend	trans	-58.2	-35.7	177.8	-62.8	-176.7	164.2	0	0	112.9
294	N	84.1	Confident	92.5	Very high	142 Å²	142	67.5 Å²	67.5	76%	0.759	33%	0.329	S	S	*	.	S	Bend	trans	-105.6	-16.2	-173.8	-63.9	-53.2	0	0	0	114.4	T292	T292-N294 PolarHBondContact O-N 3.2Å
295	H	81.9	Confident	92.6	Very high	67 Å²	67	67.5 Å²	67.5	31%	0.31	33%	0.329	S	S	.	.			trans	-134.2	129.5	-178.4	-55.9	99.9	0	0	0	111.7	E290 T292	E290-H295 HydrophobicContact CG-CB 4.09Å; E290-H295 VanDerWaalsContact OE2-CB 3.32Å; E290-H295 WeakPolarHBondContact OE2-CB 3.4Å; E290-H295 IonicContact OE2-CG 2.75Å; T292-H295 PolarHBondContact N-O 2.84Å; T292-H295 WeakPolarHBondContact OG1-CB 3.39Å; T292-H295 PolarHBondContact OG1-N 2.88Å; T292-H295 PolarHBondContact OG1-O 3.28Å
296	R	91.3	Very high	92.7	Very high	204 Å²	204	64 Å²	64	77%	0.77	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.3	97.9	177.1	-64.5	-175.4	68.6	-168.1	-4	109.6	E290 N291	E290-R296 CarbonylContact O-C 3.57Å; E290-R296 VanDerWaalsContact O-CA 3.3Å; E290-R296 WeakPolarHBondContact O-CA 3.37Å; N291-R296 PolarHBondContact OD1-NE 2.9Å
297	N	92.6	Very high	92.8	Very high	30 Å²	30	64.5 Å²	64.5	16%	0.16	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.6	-178.9	-64.2	-56.6	0	0	0	109.7	T203 Y288 I289 E290	T203-N297 VanDerWaalsContact CG2-OD1 3.26Å; T203-N297 WeakPolarHBondContact CG2-OD1 3.24Å; Y288-N297 HydrophobicContact CD1-CB 4.42Å; Y288-N297 HydrophobicContact CE1-CB 4.23Å; I289-N297 CarbonylContact C-O 3.41Å; I289-N297 WeakPolarHBondContact CA-O 3.26Å; E290-N297 HydrophobicContact CB-CB 4.06Å; E290-N297 PolarHBondContact N-O 3.44Å; E290-N297 PolarHBondContact O-N 2.79Å; E290-N297 PolarHBondContact OE2-ND2 3.13Å
298	H	94.9	Very high	92.9	Very high	125 Å²	125	63.4 Å²	63.4	58%	0.579	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	112.6	166.7	-175.1	-176	0	0	0	107.8	E287 Y288	E287-H298 IonicContact OE1-CD2 3.41Å; E287-H298 IonicContact OE1-CE1 3.6Å; E287-H298 IonicContact OE1-NE2 2.89Å; E287-H298 PolarHBondContact OE1-NE2 3.48Å; Y288-H298 WeakPolarHBondContact O-CA 3.08Å
299	M	96.1	Very high	92.9	Very high	46 Å²	46	65.4 Å²	65.4	23%	0.227	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.1	-175.9	-63.4	-174.3	-177	0	0	110	T203 Y234 F235 E287 Y288	T203-M299 HydrophobicContact CG2-CE 3.37Å; T203-M299 WeakPolarHBondContact OG1-CE 3.32Å; Y234-M299 HydrophobicContact CD2-CB 3.8Å; Y234-M299 HydrophobicContact CD2-SD 4.2Å; Y234-M299 HydrophobicContact CE2-SD 4.2Å; F235-M299 HydrophobicContact CD1-SD 3.65Å; F235-M299 HydrophobicContact CE1-CE 4.3Å; F235-M299 HydrophobicContact CE1-SD 3.33Å; F235-M299 WeakPolarHBondContact CE1-SD 3.46Å; F235-M299 HydrophobicContact CZ-SD 4.37Å; E287-M299 WeakPolarHBondContact CA-O 3.47Å; Y288-M299 PolarHBondContact N-O 2.96Å; Y288-M299 PolarHBondContact O-N 3.45Å
300	T	95.9	Very high	93	Very high	59 Å²	59	65.9 Å²	65.9	36%	0.362	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	136.4	175.7	57.8	0	0	0	0	110.6	Y234 H286 E287	Y234-T300 CarbonylContact O-C 3.54Å; Y234-T300 PolarHBondContact O-N 3.35Å; H286-T300 WeakPolarHBondContact O-CA 3.4Å; E287-T300 HydrophobicContact CB-CG2 4.24Å; E287-T300 HydrophobicContact CG-CG2 3.94Å
301	G	95.2	Very high	93.1	Very high	1 Å²	1	69.9 Å²	69.9	1%	0.01	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.4	177.2	0	0	0	0	0	108.9	Y234 R285 H286	Y234-G301 PolarHBondContact O-N 2.99Å; R285-G301 CarbonylContact C-O 3.58Å; R285-G301 WeakPolarHBondContact CA-O 3.49Å; H286-G301 PolarHBondContact N-O 2.82Å; H286-G301 PolarHBondContact O-N 3.05Å
302	I	95.1	Very high	93.2	Very high	92 Å²	92	65.8 Å²	65.8	47%	0.472	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.5	178.8	-63.1	174.1	0	0	0	107.9	P283 I284 R285	P283-I302 HydrophobicContact CB-CG2 3.86Å; I284-I302 WeakPolarHBondContact O-CA 3.48Å; R285-I302 HydrophobicContact CB-CG1 4.24Å; R285-I302 HydrophobicContact CG-CG1 4.18Å
303	G	95	Very high	93.6	Very high	7 Å²	7	67.3 Å²	67.3	7%	0.072	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	163.7	179.1	0	0	0	0	0	112.1	P283 I284	P283-G303 WeakPolarHBondContact CA-O 3.37Å; I284-G303 PolarHBondContact N-O 3.33Å; I284-G303 PolarHBondContact O-N 2.9Å; I284-G303 VanDerWaalsContact O-N 3.13Å
304	P	96.4	Very high	94.2	Very high	24 Å²	24	59 Å²	59	16%	0.156	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	157.8	174.8	31.8	-34.1	0	0	0	111.1	L279 C280 V282 L306 N307	L279-P304 WeakPolarHBondContact O-CB 3.37Å; C280-P304 WeakPolarHBondContact O-CB 3.32Å; C280-P304 WeakPolarHBondContact O-CG 3.47Å; V282-P304 WeakPolarHBondContact O-CA 3.23Å; P304-L306 VanDerWaalsContact C-N 3.3Å; P304-L306 WeakPolarHBondContact CB-O 3.32Å; P304-L306 WeakPolarHBondContact CG-O 3.35Å; P304-N307 WeakPolarHBondContact CD-OD1 3.42Å; P304-N307 WeakPolarHBondContact CG-OD1 3.35Å; P304-N307 PolarHBondContact O-ND2 3.49Å
305	V	97.8	Very high	94.8	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	26%	0.257	C	S	.	.	S	Bend	trans	-66.7	-37.7	178.9	176	0	0	0	0	110.3	L279 I284 I318 R319 Y320 W339 L346	L279-V305 HydrophobicContact CB-CB 4.46Å; L279-V305 HydrophobicContact CD2-CB 4.39Å; L279-V305 HydrophobicContact CD2-CG2 4.32Å; L279-V305 PolarHBondContact O-N 2.86Å; I284-V305 HydrophobicContact CD1-CG2 3.85Å; I284-V305 HydrophobicContact CG1-CG2 4.26Å; V305-I318 CarbonylContact O-C 3.46Å; V305-I318 WeakPolarHBondContact O-CA 3.28Å; V305-R319 PolarHBondContact O-N 2.87Å; V305-Y320 HydrophobicContact CG1-CD2 4.05Å; V305-W339 HydrophobicContact CG2-CZ2 3.96Å; V305-L346 HydrophobicContact CG1-CD2 3.8Å
306	L	98.7	Very high	95.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	136	177	-58.9	178.1	0	0	0	108.6	A265 F276 L279 C280 P304 L315 I318 L346	A265-L306 HydrophobicContact CB-CD1 4.1Å; A265-L306 HydrophobicContact CB-CD2 3.74Å; F276-L306 HydrophobicContact CD2-CD1 3.58Å; F276-L306 HydrophobicContact CE2-CD1 3.6Å; F276-L306 HydrophobicContact CG-CD1 4.41Å; F276-L306 HydrophobicContact CZ-CD1 4.42Å; L279-L306 HydrophobicContact CB-CD1 3.84Å; L279-L306 HydrophobicContact CB-CG 4.04Å; L279-L306 HydrophobicContact CD1-CD1 4.3Å; L279-L306 PolarHBondContact O-N 2.99Å; L279-L306 VanDerWaalsContact O-N 3.1Å; C280-L306 WeakPolarHBondContact CA-O 3.12Å; C280-L306 VanDerWaalsContact SG-CB 3.57Å; P304-L306 VanDerWaalsContact C-N 3.3Å; P304-L306 WeakPolarHBondContact CB-O 3.32Å; P304-L306 WeakPolarHBondContact CG-O 3.35Å; L306-L315 HydrophobicContact CB-CD2 4.01Å; L306-L315 HydrophobicContact CD2-CD2 4.32Å; L306-I318 HydrophobicContact CD2-CB 4.33Å; L306-I318 HydrophobicContact CD2-CD1 3.69Å; L306-I318 HydrophobicContact CD2-CG1 3.93Å; L306-L346 HydrophobicContact CD2-CD2 4.22Å
307	N	98.4	Very high	95.9	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.07	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.8	-177.4	-60	-106.2	0	0	0	108.1	P304 L315 Y316 M317	P304-N307 WeakPolarHBondContact CD-OD1 3.42Å; P304-N307 WeakPolarHBondContact CG-OD1 3.35Å; P304-N307 PolarHBondContact O-ND2 3.49Å; N307-L315 WeakPolarHBondContact O-CA 3.18Å; N307-Y316 HydrophobicContact CB-CD1 4.41Å; N307-Y316 HydrophobicContact CB-CD2 4.34Å; N307-Y316 HydrophobicContact CB-CE1 3.9Å; N307-Y316 HydrophobicContact CB-CE2 3.8Å; N307-Y316 WeakPolarHBondContact O-CD1 3.44Å; N307-Y316 PolarHBondContact O-N 2.87Å; N307-M317 HydrophobicContact CB-CB 4.07Å; N307-M317 HydrophobicContact CB-CE 4.28Å; N307-M317 WeakPolarHBondContact CB-O 3.47Å; N307-M317 PolarHBondContact N-O 2.86Å; N307-M317 PolarHBondContact ND2-O 3.05Å; N307-M317 VanDerWaalsContact ND2-O 3.11Å; N307-M317 PolarHBondContact O-N 2.89Å
308	I	97.6	Very high	96.1	Very high	31 Å²	31	41.8 Å²	41.8	16%	0.159	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	149.2	-175.3	58.9	173.5	0	0	0	111.6	F276 C280 N313 E314 L315 Y316	F276-I308 HydrophobicContact CE1-CG2 4.36Å; F276-I308 HydrophobicContact CZ-CG2 3.95Å; C280-I308 HydrophobicContact CB-CD1 4.27Å; C280-I308 HydrophobicContact CB-CG1 4.42Å; I308-N313 HydrophobicContact CD1-CB 4.35Å; I308-E314 CarbonylContact C-O 3.59Å; I308-E314 VanDerWaalsContact CA-O 3.23Å; I308-E314 WeakPolarHBondContact CA-O 3.36Å; I308-L315 HydrophobicContact CG2-CD2 3.7Å; I308-L315 HydrophobicContact CG2-CG 4.06Å; I308-Y316 WeakPolarHBondContact O-CE1 3.32Å
309	Y	96.4	Very high	96.3	Very high	58 Å²	58	36.4 Å²	36.4	23%	0.227	19%	0.187	C	C	.	.			trans	-74.9	127.4	168.7	-67.1	-56	0	0	0	110.2	E133 W311 N312 N313 E314 Y316	E133-Y309 HydrophobicContact CB-CD2 4.38Å; E133-Y309 HydrophobicContact CB-CE2 3.86Å; E133-Y309 HydrophobicContact CG-CD2 3.65Å; E133-Y309 HydrophobicContact CG-CE2 3.55Å; Y309-W311 AromaticContact CD1-CH2 3.21Å; Y309-W311 HydrophobicContact CD1-CH2 3.21Å; Y309-W311 AromaticContact CD1-CZ2 3.65Å; Y309-W311 HydrophobicContact CD1-CZ2 3.65Å; Y309-W311 AromaticContact CD1-CZ3 3.85Å; Y309-W311 HydrophobicContact CD1-CZ3 3.85Å; Y309-W311 HydrophobicContact CD2-CH2 4.49Å; Y309-W311 HydrophobicContact CD2-CZ2 4.1Å; Y309-W311 AromaticContact CE1-CH2 3.85Å; Y309-W311 HydrophobicContact CE1-CH2 3.85Å; Y309-W311 HydrophobicContact CE1-CZ2 4.27Å; Y309-W311 AromaticContact CG-CH2 3.6Å; Y309-W311 HydrophobicContact CG-CH2 3.6Å; Y309-W311 AromaticContact CG-CZ2 3.55Å; Y309-W311 HydrophobicContact CG-CZ2 3.55Å; Y309-W311 HydrophobicContact CG-CZ3 4.23Å; Y309-W311 PolarHBondContact O-N 3.03Å; Y309-W311 VanDerWaalsContact O-N 3.15Å; Y309-N312 WeakPolarHBondContact CB-OD1 3.37Å; Y309-N313 VanDerWaalsContact O-CA 3.23Å; Y309-N313 WeakPolarHBondContact O-CA 3.35Å; Y309-N313 PolarHBondContact O-N 3.24Å; Y309-E314 HydrophobicContact CD2-CB 4.22Å; Y309-E314 PolarHBondContact N-O 2.87Å; Y309-Y316 AromaticContact CD1-CD1 3.64Å; Y309-Y316 HydrophobicContact CD1-CD1 3.64Å; Y309-Y316 HydrophobicContact CD1-CE1 4.01Å; Y309-Y316 HydrophobicContact CD1-CG 4.4Å; Y309-Y316 HydrophobicContact CD2-CD1 4.17Å; Y309-Y316 AromaticContact CE1-CD1 3.63Å; Y309-Y316 HydrophobicContact CE1-CD1 3.63Å; Y309-Y316 HydrophobicContact CE1-CE1 4.14Å; Y309-Y316 AromaticContact CE1-CG 3.95Å; Y309-Y316 HydrophobicContact CE1-CG 3.95Å; Y309-Y316 HydrophobicContact CE2-CD1 4.16Å; Y309-Y316 HydrophobicContact CE2-CG 4.21Å; Y309-Y316 AromaticContact CG-CD1 3.92Å; Y309-Y316 HydrophobicContact CG-CD1 3.92Å; Y309-Y316 AromaticContact CZ-CD1 3.9Å; Y309-Y316 AromaticContact CZ-CG 3.85Å
310	P	93.4	Very high	96.3	Very high	111 Å²	111	34.6 Å²	34.6	72%	0.721	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-10	-170.6	27.5	-35.7	0	0	0	114.9
311	W	93.4	Very high	96.4	Very high	88 Å²	88	32.3 Å²	32.3	33%	0.333	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-30.1	180	59	89.3	0	0	0	114.2	K129 E133 Y309	K129-W311 WeakPolarHBondContact CG-O 3.45Å; E133-W311 HydrophobicContact CG-CZ2 4.12Å; E133-W311 WeakPolarHBondContact OE1-CZ2 3.26Å; E133-W311 PolarHBondContact OE1-NE1 3.48Å; Y309-W311 AromaticContact CD1-CH2 3.21Å; Y309-W311 HydrophobicContact CD1-CH2 3.21Å; Y309-W311 AromaticContact CD1-CZ2 3.65Å; Y309-W311 HydrophobicContact CD1-CZ2 3.65Å; Y309-W311 AromaticContact CD1-CZ3 3.85Å; Y309-W311 HydrophobicContact CD1-CZ3 3.85Å; Y309-W311 HydrophobicContact CD2-CH2 4.49Å; Y309-W311 HydrophobicContact CD2-CZ2 4.1Å; Y309-W311 AromaticContact CE1-CH2 3.85Å; Y309-W311 HydrophobicContact CE1-CH2 3.85Å; Y309-W311 HydrophobicContact CE1-CZ2 4.27Å; Y309-W311 AromaticContact CG-CH2 3.6Å; Y309-W311 HydrophobicContact CG-CH2 3.6Å; Y309-W311 AromaticContact CG-CZ2 3.55Å; Y309-W311 HydrophobicContact CG-CZ2 3.55Å; Y309-W311 HydrophobicContact CG-CZ3 4.23Å; Y309-W311 PolarHBondContact O-N 3.03Å; Y309-W311 VanDerWaalsContact O-N 3.15Å
312	N	93.2	Very high	96.3	Very high	33 Å²	33	36.2 Å²	36.2	18%	0.176	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-2.1	-178.4	70.5	-2.6	0	0	0	113.8	V131 Y309 E314	V131-N312 PolarHBondContact O-ND2 3.14Å; Y309-N312 WeakPolarHBondContact CB-OD1 3.37Å; N312-E314 PolarHBondContact ND2-OE2 2.75Å; N312-E314 PolarHBondContact O-N 2.8Å; N312-E314 VanDerWaalsContact OD1-CB 3.24Å; N312-E314 WeakPolarHBondContact OD1-CB 3.39Å; N312-E314 PolarHBondContact OD1-N 3.01Å
313	N	93.8	Very high	96.2	Very high	88 Å²	88	36.5 Å²	36.5	47%	0.471	18%	0.18	S	C	.	.			trans	58.6	18.8	-175.1	-58.8	-35.9	0	0	0	115.2	I308 Y309	I308-N313 HydrophobicContact CD1-CB 4.35Å; Y309-N313 VanDerWaalsContact O-CA 3.23Å; Y309-N313 WeakPolarHBondContact O-CA 3.35Å; Y309-N313 PolarHBondContact O-N 3.24Å
314	E	96.1	Very high	96.1	Very high	18 Å²	18	37.1 Å²	37.1	8%	0.084	18%	0.182	C	C	.	.			trans	-69.5	130.7	176.2	179.8	-175.5	166.1	0	0	110.8	M132 E133 Q134 R136 I308 Y309 N312 Y316	M132-E314 WeakPolarHBondContact CA-OE2 3.3Å; E133-E314 PolarHBondContact N-OE2 2.73Å; Q134-E314 PolarHBondContact N-OE1 2.87Å; R136-E314 IonicContact CZ-OE1 3.42Å; R136-E314 IonicContact NH1-OE1 3.1Å; R136-E314 PolarHBondContact NH1-OE1 3.05Å; R136-E314 IonicContact NH2-OE1 3.33Å; I308-E314 CarbonylContact C-O 3.59Å; I308-E314 VanDerWaalsContact CA-O 3.23Å; I308-E314 WeakPolarHBondContact CA-O 3.36Å; Y309-E314 HydrophobicContact CD2-CB 4.22Å; Y309-E314 PolarHBondContact N-O 2.87Å; N312-E314 PolarHBondContact ND2-OE2 2.75Å; N312-E314 PolarHBondContact O-N 2.8Å; N312-E314 VanDerWaalsContact OD1-CB 3.24Å; N312-E314 WeakPolarHBondContact OD1-CB 3.39Å; N312-E314 PolarHBondContact OD1-N 3.01Å; E314-Y316 PolarHBondContact O-N 2.98Å
315	L	97.6	Very high	96	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	129.4	171.5	-75.1	163	0	0	0	110.9	R136 F262 A265 F276 L306 N307 I308	R136-L315 PolarHBondContact NH1-O 2.81Å; R136-L315 PolarHBondContact NH2-O 2.85Å; F262-L315 HydrophobicContact CB-CD1 4.21Å; F262-L315 HydrophobicContact CD1-CB 4.09Å; F262-L315 HydrophobicContact CD1-CD1 4.24Å; F262-L315 HydrophobicContact CD2-CB 4.13Å; F262-L315 HydrophobicContact CE1-CB 4.19Å; F262-L315 HydrophobicContact CE2-CB 4.23Å; F262-L315 WeakPolarHBondContact CE2-O 3.44Å; F262-L315 HydrophobicContact CG-CB 4.08Å; F262-L315 HydrophobicContact CG-CD1 4.22Å; F262-L315 HydrophobicContact CZ-CB 4.28Å; A265-L315 HydrophobicContact CB-CD1 3.66Å; F276-L315 HydrophobicContact CE2-CD1 4.23Å; F276-L315 HydrophobicContact CE2-CD2 4.15Å; F276-L315 HydrophobicContact CE2-CG 4.44Å; F276-L315 HydrophobicContact CZ-CD2 4.04Å; F276-L315 HydrophobicContact CZ-CG 4.3Å; L306-L315 HydrophobicContact CB-CD2 4.01Å; L306-L315 HydrophobicContact CD2-CD2 4.32Å; N307-L315 WeakPolarHBondContact O-CA 3.18Å; I308-L315 HydrophobicContact CG2-CD2 3.7Å; I308-L315 HydrophobicContact CG2-CG 4.06Å
316	Y	97.3	Very high	95.9	Very high	66 Å²	66	39.9 Å²	39.9	26%	0.259	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	-19.6	173.1	71.3	-100.8	0	0	0	113.9	N307 I308 Y309 E314 W372	N307-Y316 HydrophobicContact CB-CD1 4.41Å; N307-Y316 HydrophobicContact CB-CD2 4.34Å; N307-Y316 HydrophobicContact CB-CE1 3.9Å; N307-Y316 HydrophobicContact CB-CE2 3.8Å; N307-Y316 WeakPolarHBondContact O-CD1 3.44Å; N307-Y316 PolarHBondContact O-N 2.87Å; I308-Y316 WeakPolarHBondContact O-CE1 3.32Å; Y309-Y316 AromaticContact CD1-CD1 3.64Å; Y309-Y316 HydrophobicContact CD1-CD1 3.64Å; Y309-Y316 HydrophobicContact CD1-CE1 4.01Å; Y309-Y316 HydrophobicContact CD1-CG 4.4Å; Y309-Y316 HydrophobicContact CD2-CD1 4.17Å; Y309-Y316 AromaticContact CE1-CD1 3.63Å; Y309-Y316 HydrophobicContact CE1-CD1 3.63Å; Y309-Y316 HydrophobicContact CE1-CE1 4.14Å; Y309-Y316 AromaticContact CE1-CG 3.95Å; Y309-Y316 HydrophobicContact CE1-CG 3.95Å; Y309-Y316 HydrophobicContact CE2-CD1 4.16Å; Y309-Y316 HydrophobicContact CE2-CG 4.21Å; Y309-Y316 AromaticContact CG-CD1 3.92Å; Y309-Y316 HydrophobicContact CG-CD1 3.92Å; Y309-Y316 AromaticContact CZ-CD1 3.9Å; Y309-Y316 AromaticContact CZ-CG 3.85Å; E314-Y316 PolarHBondContact O-N 2.98Å; Y316-W372 HydrophobicContact CD2-CZ3 4.43Å
317	M	98.1	Very high	95.6	Very high	11 Å²	11	45 Å²	45	5%	0.054	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	135.1	174.1	179	179.5	63.2	0	0	112.2	P238 N307 W372	P238-M317 HydrophobicContact CG-SD 4Å; N307-M317 HydrophobicContact CB-CB 4.07Å; N307-M317 HydrophobicContact CB-CE 4.28Å; N307-M317 WeakPolarHBondContact CB-O 3.47Å; N307-M317 PolarHBondContact N-O 2.86Å; N307-M317 PolarHBondContact ND2-O 3.05Å; N307-M317 VanDerWaalsContact ND2-O 3.11Å; N307-M317 PolarHBondContact O-N 2.89Å; M317-W372 CarbonylContact C-O 3.53Å; M317-W372 VanDerWaalsContact CA-O 3.29Å; M317-W372 WeakPolarHBondContact CA-O 3.35Å; M317-W372 HydrophobicContact CB-CB 4.19Å; M317-W372 HydrophobicContact CB-CD2 4.24Å; M317-W372 HydrophobicContact CB-CE3 3.99Å; M317-W372 HydrophobicContact CB-CG 4.36Å; M317-W372 HydrophobicContact CG-CB 3.97Å; M317-W372 HydrophobicContact CG-CD2 4.09Å; M317-W372 HydrophobicContact CG-CE3 4.33Å; M317-W372 HydrophobicContact CG-CG 3.94Å; M317-W372 HydrophobicContact SD-CD2 3.99Å; M317-W372 HydrophobicContact SD-CE3 4.36Å; M317-W372 HydrophobicContact SD-CG 4.21Å
318	I	98.4	Very high	95.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.9	160.2	-176.1	157.7	0	0	0	108.1	T230 F262 V305 L306 L346 W372 R373 L375	T230-I318 HydrophobicContact CG2-CG2 4.21Å; F262-I318 HydrophobicContact CD1-CB 4.49Å; F262-I318 HydrophobicContact CD1-CG2 4.32Å; F262-I318 HydrophobicContact CE1-CB 4.22Å; F262-I318 HydrophobicContact CE1-CG2 4.06Å; V305-I318 CarbonylContact O-C 3.46Å; V305-I318 WeakPolarHBondContact O-CA 3.28Å; L306-I318 HydrophobicContact CD2-CB 4.33Å; L306-I318 HydrophobicContact CD2-CD1 3.69Å; L306-I318 HydrophobicContact CD2-CG1 3.93Å; I318-L346 HydrophobicContact CD1-CD2 4.35Å; I318-W372 WeakPolarHBondContact CG2-O 3.31Å; I318-W372 PolarHBondContact N-O 3.49Å; I318-R373 WeakPolarHBondContact CG2-O 3.29Å; I318-L375 HydrophobicContact CD1-CD1 3.99Å; I318-L375 HydrophobicContact CG1-CD1 4.39Å; I318-L375 HydrophobicContact CG2-CD1 3.83Å
319	R	97.6	Very high	94.8	Very high	12 Å²	12	49 Å²	49	5%	0.045	24%	0.244	C	C	.	.			trans	-114.8	93	175	-174.7	-175.1	-66.7	-124.4	7	107.1	S233 F235 Q236 P238 V305	S233-R319 WeakPolarHBondContact O-CD 3.32Å; S233-R319 PolarHBondContact O-NH1 3.16Å; F235-R319 PolarHBondContact O-NH1 3.46Å; Q236-R319 PolarHBondContact O-NH2 2.9Å; P238-R319 VanDerWaalsContact CD-NH2 3.29Å; P238-R319 VanDerWaalsContact CG-CZ 3.48Å; V305-R319 PolarHBondContact O-N 2.87Å
320	Y	97.7	Very high	94.2	Very high	8 Å²	8	49.1 Å²	49.1	3%	0.031	25%	0.25	C	S	.	.			trans	-134.2	100.8	-172.8	-173.9	-80.7	0	0	0	109.6	R228 H229 T230 V305 H343 L346 T347 L350 L375	R228-Y320 HydrophobicContact CG-CE1 4.38Å; R228-Y320 WeakPolarHBondContact O-CE1 3.22Å; H229-Y320 CarbonylContact C-O 3.34Å; H229-Y320 WeakPolarHBondContact CA-O 3.31Å; T230-Y320 PolarHBondContact N-O 2.95Å; T230-Y320 PolarHBondContact OG1-N 2.85Å; T230-Y320 PolarHBondContact OG1-O 2.88Å; V305-Y320 HydrophobicContact CG1-CD2 4.05Å; Y320-H343 AromaticContact CE2-CE1 3.98Å; Y320-H343 AromaticContact CE2-NE2 3.62Å; Y320-L346 HydrophobicContact CD2-CD2 4.3Å; Y320-T347 WeakPolarHBondContact OH-CG2 3.31Å; Y320-T347 PolarHBondContact OH-OG1 3.25Å; Y320-L350 HydrophobicContact CD1-CD1 4.28Å; Y320-L350 HydrophobicContact CD2-CD1 3.98Å; Y320-L350 HydrophobicContact CE1-CD1 4.08Å; Y320-L350 HydrophobicContact CE2-CD1 3.76Å; Y320-L350 HydrophobicContact CG-CD1 4.24Å; Y320-L375 HydrophobicContact CD1-CD2 3.34Å; Y320-L375 HydrophobicContact CE1-CD2 4Å; Y320-L375 HydrophobicContact CG-CD2 3.83Å
321	N	96.9	Very high	94	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.053	22%	0.221	C	C	.	.			trans	-140.5	117.2	164.2	-169.9	-16	0	0	0	109.5	H229 Y323 D324 R325	H229-N321 HydrophobicContact CB-CB 4Å; N321-Y323 VanDerWaalsContact C-N 3.31Å; N321-Y323 WeakPolarHBondContact OD1-CB 3.44Å; N321-Y323 WeakPolarHBondContact OD1-CD2 3.19Å; N321-Y323 PolarHBondContact OD1-N 3Å; N321-D324 HydrophobicContact CB-CB 4.02Å; N321-D324 WeakPolarHBondContact CB-OD2 3.47Å; N321-D324 VanDerWaalsContact CG-CG 3.4Å; N321-D324 PolarHBondContact ND2-OD1 2.86Å; N321-D324 PolarHBondContact ND2-OD2 3.31Å; N321-R325 PolarHBondContact O-N 2.93Å
322	N	93.4	Very high	93.9	Very high	83 Å²	83	44.3 Å²	44.3	44%	0.444	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-26.3	178.6	178.6	82.3	0	0	0	112.6
323	Y	92.4	Very high	93.9	Very high	98 Å²	98	51 Å²	51	38%	0.384	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-38.5	179.2	-52.5	-68.1	0	0	0	111.5	D227 N321	D227-Y323 PolarHBondContact N-OH 3.29Å; N321-Y323 VanDerWaalsContact C-N 3.31Å; N321-Y323 WeakPolarHBondContact OD1-CB 3.44Å; N321-Y323 WeakPolarHBondContact OD1-CD2 3.19Å; N321-Y323 PolarHBondContact OD1-N 3Å
324	D	93.2	Very high	93.8	Very high	21 Å²	21	51 Å²	51	11%	0.112	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-12.9	-178.9	-57.4	-11	0	0	0	113.5	S233 Y234 H286 E287 N321 S326	S233-D324 WeakPolarHBondContact OG-CB 3.46Å; S233-D324 VanDerWaalsContact OG-CG 3.28Å; S233-D324 PolarHBondContact OG-OD2 2.95Å; Y234-D324 HydrophobicContact CD1-CB 3.92Å; Y234-D324 VanDerWaalsContact CD1-CG 3.41Å; Y234-D324 VanDerWaalsContact CD1-OD2 3.26Å; Y234-D324 WeakPolarHBondContact CD1-OD2 3.14Å; Y234-D324 WeakPolarHBondContact CE1-OD2 3.38Å; H286-D324 CarbonylContact C-O 3.6Å; H286-D324 WeakPolarHBondContact CA-O 3.47Å; H286-D324 HydrophobicContact CB-CB 4.19Å; E287-D324 PolarHBondContact N-O 3.33Å; N321-D324 HydrophobicContact CB-CB 4.02Å; N321-D324 WeakPolarHBondContact CB-OD2 3.47Å; N321-D324 VanDerWaalsContact CG-CG 3.4Å; N321-D324 PolarHBondContact ND2-OD1 2.86Å; N321-D324 PolarHBondContact ND2-OD2 3.31Å; D324-S326 PolarHBondContact O-N 3.27Å; D324-S326 VanDerWaalsContact O-N 3.16Å
325	R	94.1	Very high	93.7	Very high	68 Å²	68	51 Å²	51	26%	0.257	26%	0.26	S	S	.	.	B	Isolated β-bridge	trans	-67.9	114.8	-171.1	-175.4	179.9	63.7	88.7	10.9	111.3	I284 N321 M328 Y340	I284-R325 HydrophobicContact CD1-CG 4.14Å; N321-R325 PolarHBondContact O-N 2.93Å; R325-M328 PolarHBondContact NH1-SD 3.43Å; R325-M328 VanDerWaalsContact NH1-SD 3.38Å; R325-Y340 PolarHBondContact NH1-OH 2.88Å
326	S	95.3	Very high	93.6	Very high	16 Å²	16	53.3 Å²	53.3	11%	0.112	27%	0.272	C	S	.	.			trans	-84.4	-176.8	-179.7	-173.5	0	0	0	0	112.2	R285 E287 D324 M328	R285-S326 PolarHBondContact O-N 3.46Å; E287-S326 PolarHBondContact OE2-OG 2.86Å; D324-S326 PolarHBondContact O-N 3.27Å; D324-S326 VanDerWaalsContact O-N 3.16Å; S326-M328 PolarHBondContact O-N 3.15Å
327	V	93.8	Very high	93.5	Very high	106 Å²	106	60 Å²	60	64%	0.642	30%	0.297	S	S	*	.			trans	-59.9	121.4	179.8	-178.6	0	0	0	0	110.5	N329	V327-N329 HydrophobicContact CG1-CB 4.48Å; V327-N329 PolarHBondContact O-N 2.85Å
328	M	90.1	Very high	93.5	Very high	25 Å²	25	65.4 Å²	65.4	12%	0.123	32%	0.316	C	S	.	.			trans	-84	81.3	179.8	-58.2	-170.2	-43.1	0	0	110.9	I284 R325 S326 W339 Y340	I284-M328 HydrophobicContact CG2-CG 4.31Å; I284-M328 HydrophobicContact CG2-SD 3.82Å; R325-M328 PolarHBondContact NH1-SD 3.43Å; R325-M328 VanDerWaalsContact NH1-SD 3.38Å; S326-M328 PolarHBondContact O-N 3.15Å; M328-W339 HydrophobicContact CE-CD2 4.43Å; M328-W339 HydrophobicContact CE-CE3 3.63Å; M328-W339 HydrophobicContact CE-CH2 4.41Å; M328-W339 HydrophobicContact CE-CZ3 3.63Å; M328-W339 HydrophobicContact SD-CD2 4.32Å; M328-W339 HydrophobicContact SD-CE3 3.84Å; M328-W339 HydrophobicContact SD-CH2 3.68Å; M328-W339 HydrophobicContact SD-CZ2 4.15Å; M328-W339 HydrophobicContact SD-CZ3 3.51Å; M328-W339 VanDerWaalsContact SD-CZ3 3.51Å; M328-Y340 HydrophobicContact CE-CD2 4.27Å; M328-Y340 HydrophobicContact CE-CE1 4.03Å; M328-Y340 HydrophobicContact CE-CE2 3.51Å; M328-Y340 WeakPolarHBondContact CE-OH 3.21Å
329	N	89.4	Confident	93.4	Very high	105 Å²	105	65.3 Å²	65.3	56%	0.561	32%	0.316	S	S	*	.			trans	-104.5	8.5	176.2	62.2	4.5	0	0	0	113.8	V327	V327-N329 HydrophobicContact CG1-CB 4.48Å; V327-N329 PolarHBondContact O-N 2.85Å
330	T	83.1	Confident	93.4	Very high	60 Å²	60	70 Å²	70	37%	0.368	34%	0.335	S	S	.	.	S	Bend	trans	-90.4	2.4	178.6	49.9	0	0	0	0	113.9	P283	P283-T330 PolarHBondContact O-OG1 3.17Å
331	M	89.6	Confident	93.4	Very high	19 Å²	19	72.8 Å²	72.8	9%	0.094	35%	0.352	C	S	.	.	S	Bend	trans	-121.6	138.3	-167.4	-61	-168.5	65.5	0	0	113.1	V282 T335 I336 W339	V282-M331 HydrophobicContact CB-CE 4.42Å; V282-M331 HydrophobicContact CG1-CE 3.47Å; V282-M331 VanDerWaalsContact CG1-CE 3.47Å; V282-M331 HydrophobicContact CG1-CG 3.77Å; V282-M331 HydrophobicContact CG1-SD 3.52Å; V282-M331 VanDerWaalsContact CG1-SD 3.52Å; V282-M331 HydrophobicContact CG2-CE 4.14Å; M331-T335 HydrophobicContact CE-CG2 3.52Å; M331-I336 HydrophobicContact CB-CG1 3.84Å; M331-W339 HydrophobicContact CE-CB 3.51Å; M331-W339 HydrophobicContact CE-CG 3.88Å; M331-W339 HydrophobicContact SD-CB 4.16Å; M331-W339 HydrophobicContact SD-CD2 4.47Å; M331-W339 HydrophobicContact SD-CG 4.02Å
332	P	91.6	Very high	93.5	Very high	79 Å²	79	72.3 Å²	72.3	51%	0.513	35%	0.349	S	S	.	.			trans	-72	151.1	169.8	30.9	-33.6	0	0	0	111.6	D334 T335 I336	P332-D334 VanDerWaalsContact C-N 3.32Å; P332-D334 WeakPolarHBondContact CB-OD1 3.45Å; P332-D334 WeakPolarHBondContact CG-OD1 3.34Å; P332-D334 PolarHBondContact O-N 2.88Å; P332-T335 WeakPolarHBondContact O-CB 3.37Å; P332-T335 PolarHBondContact O-N 3.36Å; P332-I336 PolarHBondContact O-N 3.01Å
333	H	91.7	Very high	93.7	Very high	172 Å²	172	69.4 Å²	69.4	80%	0.796	33%	0.333	S	S	*	.	H	α-helix	trans	-53.6	-40.9	-171.1	172.6	-94.2	0	0	0	114.5	T335	H333-T335 PolarHBondContact O-N 3.38Å
334	D	92.1	Very high	94	Very high	90 Å²	90	73.6 Å²	73.6	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-65.1	-21.7	179.5	77.4	-55.2	0	0	0	113.5	P332 R338	P332-D334 VanDerWaalsContact C-N 3.32Å; P332-D334 WeakPolarHBondContact CB-OD1 3.45Å; P332-D334 WeakPolarHBondContact CG-OD1 3.34Å; P332-D334 PolarHBondContact O-N 2.88Å; D334-R338 PolarHBondContact O-NE 2.84Å; D334-R338 VanDerWaalsContact O-NE 3.16Å; D334-R338 IonicContact OD2-CZ 3.27Å; D334-R338 IonicContact OD2-NH2 3.32Å; D334-R338 PolarHBondContact OD2-NH2 3.25Å
335	T	95.4	Very high	94.3	Very high	16 Å²	16	76 Å²	76	10%	0.098	36%	0.359	C	S	.	.	H	α-helix	trans	-98.1	-28.2	-174	-55.5	0	0	0	0	111.3	L278 V282 M331 P332 H333 R337 R338 W339	L278-T335 HydrophobicContact CD1-CG2 3.75Å; V282-T335 HydrophobicContact CG2-CG2 4.27Å; M331-T335 HydrophobicContact CE-CG2 3.52Å; P332-T335 WeakPolarHBondContact O-CB 3.37Å; P332-T335 PolarHBondContact O-N 3.36Å; H333-T335 PolarHBondContact O-N 3.38Å; T335-R337 PolarHBondContact O-N 2.9Å; T335-R338 PolarHBondContact O-N 3.19Å; T335-R338 VanDerWaalsContact O-N 3.14Å; T335-R338 PolarHBondContact OG1-NH2 3.12Å; T335-W339 PolarHBondContact O-N 3.06Å
336	I	95	Very high	94.5	Very high	54 Å²	54	72.7 Å²	72.7	28%	0.277	35%	0.346	S	S	.	.	H	α-helix	trans	-52.6	-50.3	-179.9	-67.1	173.2	0	0	0	111.8	M331 P332 R338 W339 Y340	M331-I336 HydrophobicContact CB-CG1 3.84Å; P332-I336 PolarHBondContact O-N 3.01Å; I336-R338 PolarHBondContact O-N 3.35Å; I336-W339 PolarHBondContact O-N 3.46Å; I336-Y340 HydrophobicContact CG2-CD2 3.85Å; I336-Y340 HydrophobicContact CG2-CE2 3.8Å; I336-Y340 WeakPolarHBondContact O-CD2 3.41Å; I336-Y340 PolarHBondContact O-N 3.13Å
337	R	95.6	Very high	94.6	Very high	206 Å²	206	72.6 Å²	72.6	78%	0.777	35%	0.345	S	S	*	.	H	α-helix	trans	-64.1	-41.6	-179.6	-177.7	176.2	175.1	176.8	-1.7	112.1	T335 W339 Y340 V341	T335-R337 PolarHBondContact O-N 2.9Å; R337-W339 VanDerWaalsContact C-N 3.32Å; R337-W339 PolarHBondContact O-N 3.47Å; R337-Y340 PolarHBondContact O-N 3.39Å; R337-V341 WeakPolarHBondContact O-CG2 3.29Å; R337-V341 PolarHBondContact O-N 3.48Å; R337-V341 VanDerWaalsContact O-N 3.1Å
338	R	97.1	Very high	94.8	Very high	124 Å²	124	70.9 Å²	70.9	47%	0.468	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-40.8	178.8	-65.1	-173.2	-75.9	147.8	-6.1	110.9	L278 D334 T335 I336 V341 A342	L278-R338 VanDerWaalsContact CD2-C 3.42Å; L278-R338 HydrophobicContact CD2-CB 3.65Å; D334-R338 PolarHBondContact O-NE 2.84Å; D334-R338 VanDerWaalsContact O-NE 3.16Å; D334-R338 IonicContact OD2-CZ 3.27Å; D334-R338 IonicContact OD2-NH2 3.32Å; D334-R338 PolarHBondContact OD2-NH2 3.25Å; T335-R338 PolarHBondContact O-N 3.19Å; T335-R338 VanDerWaalsContact O-N 3.14Å; T335-R338 PolarHBondContact OG1-NH2 3.12Å; I336-R338 PolarHBondContact O-N 3.35Å; R338-V341 WeakPolarHBondContact O-CB 3.34Å; R338-V341 PolarHBondContact O-N 2.95Å; R338-A342 PolarHBondContact O-N 2.97Å
339	W	97.3	Very high	95.2	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-41.5	176.5	-176.1	97.1	0	0	0	112.5	L278 L279 I284 V305 M328 M331 T335 I336 R337 V341 A342 H343	L278-W339 HydrophobicContact CD2-CB 4.2Å; L279-W339 HydrophobicContact CD2-CZ2 4.45Å; I284-W339 HydrophobicContact CD1-CH2 4.42Å; I284-W339 HydrophobicContact CD1-CZ2 3.94Å; I284-W339 HydrophobicContact CG2-CZ2 3.78Å; V305-W339 HydrophobicContact CG2-CZ2 3.96Å; M328-W339 HydrophobicContact CE-CD2 4.43Å; M328-W339 HydrophobicContact CE-CE3 3.63Å; M328-W339 HydrophobicContact CE-CH2 4.41Å; M328-W339 HydrophobicContact CE-CZ3 3.63Å; M328-W339 HydrophobicContact SD-CD2 4.32Å; M328-W339 HydrophobicContact SD-CE3 3.84Å; M328-W339 HydrophobicContact SD-CH2 3.68Å; M328-W339 HydrophobicContact SD-CZ2 4.15Å; M328-W339 HydrophobicContact SD-CZ3 3.51Å; M328-W339 VanDerWaalsContact SD-CZ3 3.51Å; M331-W339 HydrophobicContact CE-CB 3.51Å; M331-W339 HydrophobicContact CE-CG 3.88Å; M331-W339 HydrophobicContact SD-CB 4.16Å; M331-W339 HydrophobicContact SD-CD2 4.47Å; M331-W339 HydrophobicContact SD-CG 4.02Å; T335-W339 PolarHBondContact O-N 3.06Å; I336-W339 PolarHBondContact O-N 3.46Å; R337-W339 VanDerWaalsContact C-N 3.32Å; R337-W339 PolarHBondContact O-N 3.47Å; W339-V341 VanDerWaalsContact C-N 3.28Å; W339-V341 PolarHBondContact O-N 3.18Å; W339-A342 PolarHBondContact O-N 3.46Å; W339-H343 HydrophobicContact CD2-CB 4.44Å; W339-H343 HydrophobicContact CE3-CB 4.11Å; W339-H343 HydrophobicContact CH2-CB 3.89Å; W339-H343 AromaticContact CH2-CD2 3.21Å; W339-H343 WeakPolarHBondContact CH2-CD2 3.3Å; W339-H343 AromaticContact CH2-CG 3.68Å; W339-H343 HydrophobicContact CZ2-CB 4.23Å; W339-H343 AromaticContact CZ2-CD2 3.68Å; W339-H343 HydrophobicContact CZ3-CB 3.82Å; W339-H343 AromaticContact CZ3-CD2 3.92Å; W339-H343 AromaticContact CZ3-CG 3.91Å; W339-H343 VanDerWaalsContact O-CB 3.27Å; W339-H343 WeakPolarHBondContact O-CB 3.36Å; W339-H343 PolarHBondContact O-N 3.24Å
340	Y	96.9	Very high	95.7	Very high	111 Å²	111	65.1 Å²	65.1	44%	0.435	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-31.7	173.9	-84.7	-66.2	0	0	0	113	R325 M328 I336 R337 R344	R325-Y340 PolarHBondContact NH1-OH 2.88Å; M328-Y340 HydrophobicContact CE-CD2 4.27Å; M328-Y340 HydrophobicContact CE-CE1 4.03Å; M328-Y340 HydrophobicContact CE-CE2 3.51Å; M328-Y340 WeakPolarHBondContact CE-OH 3.21Å; I336-Y340 HydrophobicContact CG2-CD2 3.85Å; I336-Y340 HydrophobicContact CG2-CE2 3.8Å; I336-Y340 WeakPolarHBondContact O-CD2 3.41Å; I336-Y340 PolarHBondContact O-N 3.13Å; R337-Y340 PolarHBondContact O-N 3.39Å; Y340-R344 WeakPolarHBondContact O-CB 3.22Å; Y340-R344 PolarHBondContact O-N 3.19Å
341	V	98.3	Very high	96.4	Very high	65 Å²	65	68.6 Å²	68.6	39%	0.394	31%	0.311	S	S	.	.	H	α-helix	trans	-66.8	-51.7	171.2	172.7	0	0	0	0	110.5	R337 R338 W339 H343 R344 E345	R337-V341 WeakPolarHBondContact O-CG2 3.29Å; R337-V341 PolarHBondContact O-N 3.48Å; R337-V341 VanDerWaalsContact O-N 3.1Å; R338-V341 WeakPolarHBondContact O-CB 3.34Å; R338-V341 PolarHBondContact O-N 2.95Å; W339-V341 VanDerWaalsContact C-N 3.28Å; W339-V341 PolarHBondContact O-N 3.18Å; V341-H343 PolarHBondContact O-N 3.33Å; V341-R344 WeakPolarHBondContact O-CB 3.42Å; V341-R344 PolarHBondContact O-N 2.86Å; V341-R344 VanDerWaalsContact O-N 3.11Å; V341-E345 PolarHBondContact O-N 2.8Å
342	A	98.4	Very high	96.8	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-46.9	179.3	0	0	0	0	0	112.7	N275 L278 L279 R338 W339 R344 E345 L346	N275-A342 HydrophobicContact CB-CB 3.53Å; L278-A342 HydrophobicContact CD2-CB 4.28Å; L279-A342 HydrophobicContact CD1-CB 4.27Å; L279-A342 HydrophobicContact CD2-CB 4.13Å; L279-A342 HydrophobicContact CG-CB 3.89Å; R338-A342 PolarHBondContact O-N 2.97Å; W339-A342 PolarHBondContact O-N 3.46Å; A342-R344 VanDerWaalsContact C-N 3.32Å; A342-R344 PolarHBondContact O-N 2.9Å; A342-E345 PolarHBondContact O-N 3.06Å; A342-L346 PolarHBondContact O-N 3.09Å
343	H	98.1	Very high	97.1	Very high	23 Å²	23	73.8 Å²	73.8	11%	0.106	33%	0.33	C	S	.	.	H	α-helix	trans	-59.7	-42.2	174.5	-178.7	-74.6	0	0	0	111.3	L279 Y320 W339 V341 L346 T347	L279-H343 HydrophobicContact CD2-CB 4.41Å; Y320-H343 AromaticContact CE2-CE1 3.98Å; Y320-H343 AromaticContact CE2-NE2 3.62Å; W339-H343 HydrophobicContact CD2-CB 4.44Å; W339-H343 HydrophobicContact CE3-CB 4.11Å; W339-H343 HydrophobicContact CH2-CB 3.89Å; W339-H343 AromaticContact CH2-CD2 3.21Å; W339-H343 WeakPolarHBondContact CH2-CD2 3.3Å; W339-H343 AromaticContact CH2-CG 3.68Å; W339-H343 HydrophobicContact CZ2-CB 4.23Å; W339-H343 AromaticContact CZ2-CD2 3.68Å; W339-H343 HydrophobicContact CZ3-CB 3.82Å; W339-H343 AromaticContact CZ3-CD2 3.92Å; W339-H343 AromaticContact CZ3-CG 3.91Å; W339-H343 VanDerWaalsContact O-CB 3.27Å; W339-H343 WeakPolarHBondContact O-CB 3.36Å; W339-H343 PolarHBondContact O-N 3.24Å; V341-H343 PolarHBondContact O-N 3.33Å; H343-L346 PolarHBondContact O-N 3.15Å; H343-T347 PolarHBondContact CE1-OG1 3.13Å; H343-T347 VanDerWaalsContact CE1-OG1 3.22Å; H343-T347 PolarHBondContact ND1-OG1 3.26Å; H343-T347 VanDerWaalsContact ND1-OG1 3.16Å; H343-T347 WeakPolarHBondContact O-CB 3.16Å; H343-T347 PolarHBondContact O-N 3.16Å; H343-T347 PolarHBondContact O-OG1 3.29Å
344	R	98.2	Very high	97.3	Very high	186 Å²	186	70.6 Å²	70.6	70%	0.702	32%	0.316	S	S	*	.	H	α-helix	trans	-62.9	-43.1	177.6	-176.2	179.5	-174.4	176.9	3.1	111.7	Y340 V341 A342 T347 T348	Y340-R344 WeakPolarHBondContact O-CB 3.22Å; Y340-R344 PolarHBondContact O-N 3.19Å; V341-R344 WeakPolarHBondContact O-CB 3.42Å; V341-R344 PolarHBondContact O-N 2.86Å; V341-R344 VanDerWaalsContact O-N 3.11Å; A342-R344 VanDerWaalsContact C-N 3.32Å; A342-R344 PolarHBondContact O-N 2.9Å; R344-T347 WeakPolarHBondContact O-CB 3.44Å; R344-T347 PolarHBondContact O-N 2.88Å; R344-T348 WeakPolarHBondContact O-CB 3.45Å; R344-T348 PolarHBondContact O-N 2.81Å; R344-T348 PolarHBondContact O-OG1 2.62Å; R344-T348 VanDerWaalsContact O-OG1 3.06Å
345	E	98.6	Very high	97.6	Very high	70 Å²	70	66.5 Å²	66.5	33%	0.327	29%	0.294	S	S	.	.	H	α-helix	trans	-64.1	-42.8	176.5	-72.8	176.9	-160.7	0	0	112.1	L268 S272 N275 V341 A342 T348 E349	L268-E345 HydrophobicContact CD1-CB 3.67Å; S272-E345 WeakPolarHBondContact CB-OE2 3.33Å; N275-E345 PolarHBondContact ND2-OE1 2.9Å; N275-E345 VanDerWaalsContact ND2-OE1 3.08Å; N275-E345 PolarHBondContact ND2-OE2 3.41Å; V341-E345 PolarHBondContact O-N 2.8Å; A342-E345 PolarHBondContact O-N 3.06Å; E345-T348 PolarHBondContact O-N 2.83Å; E345-E349 PolarHBondContact O-N 3.06Å
346	L	98.8	Very high	97.8	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-46.7	172.2	-175.3	59.4	0	0	0	111.3	A264 A265 L268 L279 V305 L306 I318 Y320 A342 H343 T348 E349 L350	A264-L346 HydrophobicContact CB-CD1 4.44Å; A265-L346 HydrophobicContact CB-CD1 4.44Å; L268-L346 HydrophobicContact CD2-CB 4.11Å; L268-L346 HydrophobicContact CD2-CD1 4.43Å; L279-L346 HydrophobicContact CD1-CB 3.89Å; L279-L346 HydrophobicContact CD1-CD2 3.72Å; L279-L346 HydrophobicContact CD1-CG 4.41Å; V305-L346 HydrophobicContact CG1-CD2 3.8Å; L306-L346 HydrophobicContact CD2-CD2 4.22Å; I318-L346 HydrophobicContact CD1-CD2 4.35Å; Y320-L346 HydrophobicContact CD2-CD2 4.3Å; A342-L346 PolarHBondContact O-N 3.09Å; H343-L346 PolarHBondContact O-N 3.15Å; L346-T348 VanDerWaalsContact C-N 3.29Å; L346-T348 PolarHBondContact O-N 2.83Å; L346-E349 PolarHBondContact O-N 3.3Å; L346-L350 HydrophobicContact CD1-CD1 4.29Å; L346-L350 HydrophobicContact CD1-CG 4.25Å; L346-L350 HydrophobicContact CD2-CD1 4.45Å; L346-L350 HydrophobicContact CG-CD1 3.85Å; L346-L350 HydrophobicContact CG-CG 4.28Å; L346-L350 WeakPolarHBondContact O-CB 3.17Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.44Å; L346-L350 PolarHBondContact O-N 3.02Å
347	T	98.4	Very high	97.9	Very high	13 Å²	13	65.4 Å²	65.4	8%	0.08	29%	0.287	C	S	.	.	H	α-helix	trans	-59.1	-41.1	177.6	-54.1	0	0	0	0	111.3	Y320 H343 R344 R351	Y320-T347 WeakPolarHBondContact OH-CG2 3.31Å; Y320-T347 PolarHBondContact OH-OG1 3.25Å; H343-T347 PolarHBondContact CE1-OG1 3.13Å; H343-T347 VanDerWaalsContact CE1-OG1 3.22Å; H343-T347 PolarHBondContact ND1-OG1 3.26Å; H343-T347 VanDerWaalsContact ND1-OG1 3.16Å; H343-T347 WeakPolarHBondContact O-CB 3.16Å; H343-T347 PolarHBondContact O-N 3.16Å; H343-T347 PolarHBondContact O-OG1 3.29Å; R344-T347 WeakPolarHBondContact O-CB 3.44Å; R344-T347 PolarHBondContact O-N 2.88Å; T347-R351 HydrophobicContact CG2-CG 4.48Å; T347-R351 VanDerWaalsContact O-CB 3.26Å; T347-R351 WeakPolarHBondContact O-CB 3.34Å; T347-R351 VanDerWaalsContact O-CG 3.28Å; T347-R351 WeakPolarHBondContact O-CG 3.37Å; T347-R351 PolarHBondContact O-N 3.22Å
348	T	98.2	Very high	98	Very high	70 Å²	70	60.5 Å²	60.5	43%	0.429	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-41.4	177.9	-68.7	0	0	0	0	111.5	R344 E345 L346 R351 W352	R344-T348 WeakPolarHBondContact O-CB 3.45Å; R344-T348 PolarHBondContact O-N 2.81Å; R344-T348 PolarHBondContact O-OG1 2.62Å; R344-T348 VanDerWaalsContact O-OG1 3.06Å; E345-T348 PolarHBondContact O-N 2.83Å; L346-T348 VanDerWaalsContact C-N 3.29Å; L346-T348 PolarHBondContact O-N 2.83Å; T348-R351 CarbonylContact O-C 3.49Å; T348-R351 PolarHBondContact O-N 2.89Å; T348-W352 PolarHBondContact O-N 2.87Å; T348-W352 VanDerWaalsContact O-N 3.13Å
349	E	98.5	Very high	98	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-69.5	-42.6	175.8	-171.5	60.3	-159	0	0	112.7	A264 K267 R271 E345 L346 R351 W352 N355	A264-E349 HydrophobicContact CB-CB 4.27Å; A264-E349 HydrophobicContact CB-CG 3.73Å; K267-E349 HydrophobicContact CB-CG 3.8Å; K267-E349 WeakPolarHBondContact CB-OE1 3.4Å; R271-E349 IonicContact CZ-OE2 3.1Å; R271-E349 IonicContact NH1-OE2 2.7Å; R271-E349 PolarHBondContact NH1-OE2 2.88Å; R271-E349 VanDerWaalsContact NH2-CD 3.31Å; R271-E349 IonicContact NH2-OE2 3.02Å; R271-E349 PolarHBondContact NH2-OE2 2.82Å; E345-E349 PolarHBondContact O-N 3.06Å; L346-E349 PolarHBondContact O-N 3.3Å; E349-R351 PolarHBondContact O-N 2.89Å; E349-W352 VanDerWaalsContact O-CB 3.29Å; E349-W352 WeakPolarHBondContact O-CB 3.14Å; E349-W352 PolarHBondContact O-N 2.76Å; E349-W352 VanDerWaalsContact O-N 3.08Å; E349-N355 PolarHBondContact O-ND2 2.74Å; E349-N355 PolarHBondContact OE1-ND2 3.2Å
350	L	98.5	Very high	97.9	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-29.6	174.9	-71.5	169.5	0	0	0	111.6	R228 V259 A264 Y320 L346 L375	R228-L350 VanDerWaalsContact CD-O 3.31Å; R228-L350 WeakPolarHBondContact CD-O 3.37Å; R228-L350 HydrophobicContact CG-CB 4.36Å; R228-L350 PolarHBondContact NH1-O 2.83Å; V259-L350 HydrophobicContact CG1-CD2 3.92Å; A264-L350 HydrophobicContact CB-CD2 3.49Å; A264-L350 VanDerWaalsContact CB-CD2 3.49Å; A264-L350 HydrophobicContact CB-CG 3.94Å; Y320-L350 HydrophobicContact CD1-CD1 4.28Å; Y320-L350 HydrophobicContact CD2-CD1 3.98Å; Y320-L350 HydrophobicContact CE1-CD1 4.08Å; Y320-L350 HydrophobicContact CE2-CD1 3.76Å; Y320-L350 HydrophobicContact CG-CD1 4.24Å; L346-L350 HydrophobicContact CD1-CD1 4.29Å; L346-L350 HydrophobicContact CD1-CG 4.25Å; L346-L350 HydrophobicContact CD2-CD1 4.45Å; L346-L350 HydrophobicContact CG-CD1 3.85Å; L346-L350 HydrophobicContact CG-CG 4.28Å; L346-L350 WeakPolarHBondContact O-CB 3.17Å; L346-L350 VanDerWaalsContact O-CG 3.27Å; L346-L350 WeakPolarHBondContact O-CG 3.44Å; L346-L350 PolarHBondContact O-N 3.02Å; L350-L375 HydrophobicContact CD1-CD2 3.83Å; L350-L375 HydrophobicContact CD2-CD1 4.1Å; L350-L375 HydrophobicContact CD2-CD2 4.01Å
351	R	97.7	Very high	97.7	Very high	133 Å²	133	53.9 Å²	53.9	50%	0.502	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	5.9	176	-71.7	179.1	178	168.1	0.9	114.4	D227 T347 T348 E349	D227-R351 IonicContact OD2-CZ 3.25Å; D227-R351 VanDerWaalsContact OD2-CZ 3.25Å; D227-R351 IonicContact OD2-NE 3.01Å; D227-R351 PolarHBondContact OD2-NE 3.45Å; D227-R351 IonicContact OD2-NH2 2.67Å; D227-R351 PolarHBondContact OD2-NH2 3.01Å; T347-R351 HydrophobicContact CG2-CG 4.48Å; T347-R351 VanDerWaalsContact O-CB 3.26Å; T347-R351 WeakPolarHBondContact O-CB 3.34Å; T347-R351 VanDerWaalsContact O-CG 3.28Å; T347-R351 WeakPolarHBondContact O-CG 3.37Å; T347-R351 PolarHBondContact O-N 3.22Å; T348-R351 CarbonylContact O-C 3.49Å; T348-R351 PolarHBondContact O-N 2.89Å; E349-R351 PolarHBondContact O-N 2.89Å
352	W	97.9	Very high	97.5	Very high	120 Å²	120	54.1 Å²	54.1	46%	0.455	25%	0.249	S	C	.	.			trans	-69.9	123.7	176.7	-159.5	-87.1	0	0	0	109.5	T348 E349 E354 N355	T348-W352 PolarHBondContact O-N 2.87Å; T348-W352 VanDerWaalsContact O-N 3.13Å; E349-W352 VanDerWaalsContact O-CB 3.29Å; E349-W352 WeakPolarHBondContact O-CB 3.14Å; E349-W352 PolarHBondContact O-N 2.76Å; E349-W352 VanDerWaalsContact O-N 3.08Å; W352-E354 VanDerWaalsContact C-N 3.28Å; W352-E354 PolarHBondContact NE1-OE1 3.08Å; W352-E354 VanDerWaalsContact NE1-OE1 3.1Å; W352-E354 PolarHBondContact NE1-OE2 3.07Å; W352-E354 PolarHBondContact O-N 2.88Å; W352-E354 VanDerWaalsContact O-N 3.16Å; W352-N355 HydrophobicContact CB-CB 4.5Å; W352-N355 WeakPolarHBondContact O-CA 3.42Å; W352-N355 WeakPolarHBondContact O-CB 3.34Å; W352-N355 PolarHBondContact O-N 2.83Å
353	P	97.5	Very high	97.4	Very high	87 Å²	87	57.6 Å²	57.6	57%	0.565	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-56.7	-36.8	-169.1	-28.3	36	0	0	0	114.5	N355 E356	P353-N355 PolarHBondContact O-N 3.37Å; P353-E356 WeakPolarHBondContact O-CB 3.29Å; P353-E356 PolarHBondContact O-N 3.09Å
354	E	97.9	Very high	97.3	Very high	105 Å²	105	57 Å²	57	49%	0.491	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-68.2	-14.8	178.6	-61.2	91.7	118.1	0	0	113.2	N140 A141 W352	N140-E354 VanDerWaalsContact CB-O 3.31Å; N140-E354 WeakPolarHBondContact CB-O 3.18Å; A141-E354 WeakPolarHBondContact CB-O 3.48Å; A141-E354 PolarHBondContact N-O 3.43Å; W352-E354 VanDerWaalsContact C-N 3.28Å; W352-E354 PolarHBondContact NE1-OE1 3.08Å; W352-E354 VanDerWaalsContact NE1-OE1 3.1Å; W352-E354 PolarHBondContact NE1-OE2 3.07Å; W352-E354 PolarHBondContact O-N 2.88Å; W352-E354 VanDerWaalsContact O-N 3.16Å
355	N	98.3	Very high	97.2	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.027	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-88.9	-11.3	172.8	-61.8	-14.4	0	0	0	112.6	N140 V259 Y263 E349 W352 P353	N140-N355 WeakPolarHBondContact CB-OD1 3.41Å; V259-N355 HydrophobicContact CG1-CB 4.43Å; Y263-N355 WeakPolarHBondContact CE1-OD1 3.4Å; E349-N355 PolarHBondContact O-ND2 2.74Å; E349-N355 PolarHBondContact OE1-ND2 3.2Å; W352-N355 HydrophobicContact CB-CB 4.5Å; W352-N355 WeakPolarHBondContact O-CA 3.42Å; W352-N355 WeakPolarHBondContact O-CB 3.34Å; W352-N355 PolarHBondContact O-N 2.83Å; P353-N355 PolarHBondContact O-N 3.37Å
356	E	98.2	Very high	97.2	Very high	38 Å²	38	47.2 Å²	47.2	18%	0.178	23%	0.233	C	C	.	.			trans	-87.9	112	-178.4	-60.5	-166.9	153.4	0	0	112.9	A141 R228 L257 V259 P353 W358	A141-E356 WeakPolarHBondContact CB-O 3.24Å; R228-E356 IonicContact CZ-OE1 3.17Å; R228-E356 IonicContact NH1-OE1 3.39Å; R228-E356 PolarHBondContact NH1-OE1 2.81Å; R228-E356 IonicContact NH2-OE1 2.78Å; R228-E356 PolarHBondContact NH2-OE1 3.35Å; L257-E356 HydrophobicContact CD1-CB 3.62Å; L257-E356 HydrophobicContact CD1-CG 3.78Å; V259-E356 HydrophobicContact CG2-CG 4.45Å; P353-E356 WeakPolarHBondContact O-CB 3.29Å; P353-E356 PolarHBondContact O-N 3.09Å; E356-W358 PolarHBondContact OE2-NE1 3.27Å
357	L	98.3	Very high	97.2	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.6	167.9	179.7	68	0	0	0	110	W139 Y144 Q145 I176 L258 V359	W139-L357 HydrophobicContact CH2-CB 4.28Å; W139-L357 HydrophobicContact CH2-CD2 4.34Å; W139-L357 HydrophobicContact CZ3-CB 3.84Å; W139-L357 HydrophobicContact CZ3-CD2 4.32Å; Y144-L357 HydrophobicContact CD1-CD1 4.28Å; Y144-L357 HydrophobicContact CD1-CD2 3.41Å; Y144-L357 VanDerWaalsContact CD1-CD2 3.41Å; Y144-L357 HydrophobicContact CD1-CG 4.5Å; Y144-L357 HydrophobicContact CE1-CD2 3.73Å; Y144-L357 HydrophobicContact CG-CD2 3.86Å; Q145-L357 HydrophobicContact CG-CD1 4.22Å; I176-L357 HydrophobicContact CD1-CD2 3.77Å; L258-L357 HydrophobicContact CB-CB 4.25Å; L258-L357 HydrophobicContact CD1-CD2 4.24Å; L258-L357 PolarHBondContact N-O 2.94Å; L258-L357 PolarHBondContact O-N 3.31Å; L357-V359 HydrophobicContact CD2-CG2 4.3Å; L357-V359 HydrophobicContact CG-CG2 4.03Å
358	W	97.6	Very high	97.2	Very high	102 Å²	102	46.7 Å²	46.7	39%	0.386	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	118.8	178.3	-71.6	95	0	0	0	111.9	K255 L257 E356 E379	K255-W358 HydrophobicContact CB-CE3 3.82Å; K255-W358 HydrophobicContact CB-CZ3 4.37Å; L257-W358 HydrophobicContact CB-CD2 4.38Å; L257-W358 HydrophobicContact CB-CE3 3.98Å; L257-W358 HydrophobicContact CB-CH2 3.77Å; L257-W358 HydrophobicContact CB-CZ2 4.15Å; L257-W358 HydrophobicContact CB-CZ3 3.66Å; L257-W358 HydrophobicContact CD1-CD2 4.2Å; L257-W358 HydrophobicContact CD1-CH2 4.39Å; L257-W358 HydrophobicContact CD1-CZ2 3.89Å; L257-W358 HydrophobicContact CD2-CH2 4.29Å; L257-W358 HydrophobicContact CD2-CZ2 4.25Å; L257-W358 HydrophobicContact CG-CH2 4.37Å; L257-W358 HydrophobicContact CG-CZ2 4.31Å; E356-W358 PolarHBondContact OE2-NE1 3.27Å; W358-E379 HydrophobicContact CH2-CB 4.44Å; W358-E379 HydrophobicContact CZ3-CB 3.87Å
359	V	95.9	Very high	97.2	Very high	25 Å²	25	43.3 Å²	43.3	15%	0.152	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.7	-177.7	-176.8	0	0	0	0	110.5	F178 T256 L258 L357	F178-V359 HydrophobicContact CE1-CG1 4Å; F178-V359 HydrophobicContact CZ-CG1 4.14Å; F178-V359 HydrophobicContact CZ-CG2 4.26Å; T256-V359 PolarHBondContact N-O 3.44Å; T256-V359 PolarHBondContact O-N 3.48Å; L258-V359 HydrophobicContact CD1-CG2 3.91Å; L357-V359 HydrophobicContact CD2-CG2 4.3Å; L357-V359 HydrophobicContact CG-CG2 4.03Å
360	K	94.8	Very high	97.2	Very high	68 Å²	68	43 Å²	43	30%	0.296	21%	0.208	S	C	.	.			trans	-87.6	114.1	169.6	-173.6	63.3	-176.4	174.3	0	109.7	H249 G253 G254 K255 T362	H249-K360 PolarHBondContact CE1-NZ 3.28Å; H249-K360 PolarHBondContact ND1-NZ 2.92Å; H249-K360 PolarHBondContact NE2-NZ 2.9Å; H249-K360 VanDerWaalsContact NE2-NZ 3.2Å; G253-K360 PolarHBondContact O-NZ 2.67Å; G254-K360 PolarHBondContact O-NZ 2.71Å; K255-K360 HydrophobicContact CG-CB 4.36Å; K255-K360 HydrophobicContact CG-CD 4.19Å; K360-T362 HydrophobicContact CG-CG2 4.47Å
361	L	94.4	Very high	97.2	Very high	4 Å²	4	43 Å²	43	2%	0.021	21%	0.208	C	C	.	.			trans	-75.1	129.2	164.9	-59.3	179.2	0	0	0	109	F178 F244 C246 K365 I367 L387	F178-L361 HydrophobicContact CE1-CD2 4.43Å; F244-L361 HydrophobicContact CB-CD1 3.96Å; C246-L361 HydrophobicContact CB-CB 3.88Å; L361-K365 HydrophobicContact CD2-CD 4.16Å; L361-K365 HydrophobicContact CD2-CG 3.89Å; L361-I367 HydrophobicContact CD1-CG2 3.89Å; L361-I367 HydrophobicContact CD2-CB 4.15Å; L361-I367 HydrophobicContact CD2-CG2 3.88Å; L361-L387 HydrophobicContact CD1-CD2 4.46Å
362	T	93.8	Very high	97.3	Very high	70 Å²	70	38.9 Å²	38.9	43%	0.429	19%	0.192	S	C	.	.			trans	-114.1	161.5	173.3	52.1	0	0	0	0	109	K360 G364 K365	K360-T362 HydrophobicContact CG-CG2 4.47Å; T362-G364 PolarHBondContact O-N 3.08Å; T362-K365 PolarHBondContact O-N 3.44Å
363	P	96	Very high	97.3	Very high	73 Å²	73	33.2 Å²	33.2	47%	0.474	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.8	128.6	165	-30.3	38.1	0	0	0	111.8	A184 C246	A184-P363 HydrophobicContact CB-CB 4.11Å; C246-P363 VanDerWaalsContact O-CA 3.29Å; C246-P363 WeakPolarHBondContact O-CA 3.44Å
364	G	95	Very high	97.4	Very high	10 Å²	10	29 Å²	29	10%	0.103	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	5.9	-178.4	0	0	0	0	0	117	D180 D181 V182 H245 T362	D180-G364 CarbonylContact C-O 3.59Å; D181-G364 PolarHBondContact N-O 3.2Å; V182-G364 PolarHBondContact N-O 3.27Å; V182-G364 VanDerWaalsContact N-O 3.13Å; V182-G364 WeakPolarHBondContact O-CA 3.31Å; H245-G364 WeakPolarHBondContact NE2-CA 3.34Å; H245-G364 PolarHBondContact NE2-N 2.86Å; H245-G364 VanDerWaalsContact NE2-N 3.11Å; T362-G364 PolarHBondContact O-N 3.08Å
365	K	96.6	Very high	97.4	Very high	51 Å²	51	24 Å²	24	22%	0.222	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.5	170	174.9	163.2	-78	177.6	0	110.9	F178 D180 H245 L361 T362	F178-K365 HydrophobicContact CD1-CD 4.11Å; F178-K365 HydrophobicContact CD1-CG 4.18Å; F178-K365 HydrophobicContact CE1-CD 4.48Å; D180-K365 WeakPolarHBondContact OD1-CE 3.45Å; D180-K365 IonicContact OD1-NZ 2.69Å; D180-K365 PolarHBondContact OD1-NZ 3.33Å; H245-K365 PolarHBondContact CD2-O 2.72Å; L361-K365 HydrophobicContact CD2-CD 4.16Å; L361-K365 HydrophobicContact CD2-CG 3.89Å; T362-K365 PolarHBondContact O-N 3.44Å
366	V	98.4	Very high	97.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137	172.4	-174.8	0	0	0	0	109.4	F178 V179 V182 V192 V243 F244 H245 F368	F178-V366 VanDerWaalsContact CA-O 3.31Å; F178-V366 WeakPolarHBondContact CA-O 3.31Å; V179-V366 PolarHBondContact N-O 2.86Å; V179-V366 PolarHBondContact O-N 2.92Å; V182-V366 HydrophobicContact CB-CG2 3.93Å; V182-V366 HydrophobicContact CG1-CG2 4Å; V182-V366 HydrophobicContact CG2-CB 4.41Å; V182-V366 HydrophobicContact CG2-CG2 3.66Å; V192-V366 HydrophobicContact CG1-CG1 4.27Å; V192-V366 HydrophobicContact CG1-CG2 4.23Å; V243-V366 HydrophobicContact CG1-CG1 3.69Å; F244-V366 WeakPolarHBondContact O-CA 3.49Å; H245-V366 HydrophobicContact CB-CG2 3.93Å; V366-F368 HydrophobicContact CB-CE2 4.43Å; V366-F368 HydrophobicContact CG1-CD2 4.06Å; V366-F368 HydrophobicContact CG1-CE2 3.56Å; V366-F368 HydrophobicContact CG1-CZ 4.25Å
367	I	98.7	Very high	97.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.9	170.7	-173.2	-179.9	0	0	0	110.2	I176 F178 V243 F244 L258 L361 I369	I176-I367 HydrophobicContact CG2-CD1 4.4Å; F178-I367 HydrophobicContact CD1-CB 3.8Å; F178-I367 HydrophobicContact CD1-CD1 4.38Å; F178-I367 HydrophobicContact CD1-CG1 3.91Å; F178-I367 HydrophobicContact CE1-CB 3.67Å; F178-I367 HydrophobicContact CE1-CD1 3.5Å; F178-I367 VanDerWaalsContact CE1-CD1 3.5Å; F178-I367 HydrophobicContact CE1-CG1 3.52Å; F178-I367 HydrophobicContact CE2-CD1 4.48Å; F178-I367 HydrophobicContact CZ-CD1 3.55Å; F178-I367 HydrophobicContact CZ-CG1 3.88Å; V243-I367 WeakPolarHBondContact CA-O 3.36Å; F244-I367 HydrophobicContact CB-CG2 3.8Å; F244-I367 HydrophobicContact CD2-CG2 4.37Å; F244-I367 PolarHBondContact N-O 2.81Å; F244-I367 PolarHBondContact O-N 3.47Å; L258-I367 HydrophobicContact CD1-CD1 3.57Å; L258-I367 HydrophobicContact CD2-CD1 3.91Å; L258-I367 HydrophobicContact CG-CD1 4.36Å; L361-I367 HydrophobicContact CD1-CG2 3.89Å; L361-I367 HydrophobicContact CD2-CB 4.15Å; L361-I367 HydrophobicContact CD2-CG2 3.88Å; I367-I369 HydrophobicContact CD1-CD1 4.06Å; I367-I369 HydrophobicContact CD1-CG1 3.77Å; I367-I369 HydrophobicContact CG1-CG1 3.86Å; I367-I369 HydrophobicContact CG2-CD1 4.44Å; I367-I369 HydrophobicContact CG2-CG1 4.47Å
368	F	98.8	Very high	97.2	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.5	169.5	-66.1	-109.3	0	0	0	107.9	F167 Y171 I176 A177 V179 V192 T193 V196 I241 V243 V366 L392	F167-F368 AromaticContact CE2-CD2 3.99Å; F167-F368 HydrophobicContact CE2-CD2 3.99Å; F167-F368 HydrophobicContact CE2-CE2 4.37Å; F167-F368 HydrophobicContact CZ-CB 4.05Å; F167-F368 HydrophobicContact CZ-CD1 4.26Å; F167-F368 AromaticContact CZ-CD2 3.5Å; F167-F368 HydrophobicContact CZ-CD2 3.5Å; F167-F368 VanDerWaalsContact CZ-CD2 3.5Å; F167-F368 AromaticContact CZ-CE2 3.93Å; F167-F368 HydrophobicContact CZ-CE2 3.93Å; F167-F368 AromaticContact CZ-CG 3.69Å; F167-F368 HydrophobicContact CZ-CG 3.69Å; F167-F368 HydrophobicContact CZ-CZ 4.48Å; Y171-F368 HydrophobicContact CD2-CB 4.42Å; I176-F368 WeakPolarHBondContact CA-O 3.49Å; A177-F368 PolarHBondContact N-O 3.41Å; A177-F368 PolarHBondContact O-N 3.45Å; V179-F368 HydrophobicContact CG2-CE2 4.08Å; V192-F368 HydrophobicContact CG1-CZ 4.3Å; V192-F368 HydrophobicContact CG2-CE2 4.34Å; V192-F368 HydrophobicContact CG2-CZ 4.27Å; T193-F368 HydrophobicContact CG2-CE1 4.34Å; V196-F368 HydrophobicContact CB-CE1 4.16Å; V196-F368 HydrophobicContact CG2-CD1 4.33Å; V196-F368 HydrophobicContact CG2-CE1 3.69Å; V196-F368 HydrophobicContact CG2-CZ 3.89Å; I241-F368 HydrophobicContact CG2-CB 4.31Å; I241-F368 HydrophobicContact CG2-CD1 4.5Å; V243-F368 HydrophobicContact CG1-CD1 4.27Å; V243-F368 HydrophobicContact CG1-CE1 4.11Å; V243-F368 HydrophobicContact CG1-CE2 4.37Å; V243-F368 HydrophobicContact CG1-CG 4.47Å; V243-F368 HydrophobicContact CG1-CZ 4.16Å; V243-F368 HydrophobicContact CG2-CD1 3.54Å; V243-F368 HydrophobicContact CG2-CE1 3.73Å; V243-F368 HydrophobicContact CG2-CG 4.24Å; V366-F368 HydrophobicContact CB-CE2 4.43Å; V366-F368 HydrophobicContact CG1-CD2 4.06Å; V366-F368 HydrophobicContact CG1-CE2 3.56Å; V366-F368 HydrophobicContact CG1-CZ 4.25Å; F368-L392 HydrophobicContact CD1-CD1 4.19Å; F368-L392 HydrophobicContact CE1-CD1 4.17Å
369	I	98.8	Very high	97	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	125.3	-174	-51.4	175	0	0	0	109.1	I176 I241 Q242 F244 L258 I367 N371 V374 H376	I176-I369 HydrophobicContact CG2-CB 4.34Å; I176-I369 HydrophobicContact CG2-CG1 4.21Å; I176-I369 HydrophobicContact CG2-CG2 4.08Å; I241-I369 CarbonylContact C-O 3.58Å; I241-I369 VanDerWaalsContact CA-O 3.26Å; I241-I369 WeakPolarHBondContact CA-O 3.22Å; I241-I369 WeakPolarHBondContact CG2-O 3.45Å; Q242-I369 PolarHBondContact N-O 2.96Å; Q242-I369 PolarHBondContact O-N 3.01Å; F244-I369 HydrophobicContact CD2-CD1 3.87Å; F244-I369 HydrophobicContact CE2-CD1 3.98Å; L258-I369 HydrophobicContact CD2-CD1 3.73Å; L258-I369 HydrophobicContact CD2-CG1 4.22Å; I367-I369 HydrophobicContact CD1-CD1 4.06Å; I367-I369 HydrophobicContact CD1-CG1 3.77Å; I367-I369 HydrophobicContact CG1-CG1 3.86Å; I367-I369 HydrophobicContact CG2-CD1 4.44Å; I367-I369 HydrophobicContact CG2-CG1 4.47Å; I369-N371 VanDerWaalsContact C-N 3.35Å; I369-N371 PolarHBondContact O-N 2.83Å; I369-V374 HydrophobicContact CG2-CB 3.87Å; I369-V374 HydrophobicContact CG2-CG1 4.07Å; I369-H376 HydrophobicContact CD1-CB 3.9Å
370	D	98.7	Very high	96.9	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.011	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	94.8	168.9	-174.3	-24.9	0	0	0	108.3	Y171 G175 W372 R373 V374 R394	Y171-D370 HydrophobicContact CE2-CB 4.04Å; Y171-D370 WeakPolarHBondContact OH-CA 3.45Å; Y171-D370 VanDerWaalsContact OH-CB 3.27Å; Y171-D370 WeakPolarHBondContact OH-CB 3.27Å; G175-D370 WeakPolarHBondContact O-CB 3.38Å; G175-D370 PolarHBondContact O-N 3.21Å; D370-W372 PolarHBondContact O-N 3.07Å; D370-W372 WeakPolarHBondContact OD1-CB 3.34Å; D370-W372 PolarHBondContact OD1-N 2.97Å; D370-R373 HydrophobicContact CB-CB 4.17Å; D370-R373 PolarHBondContact O-N 2.86Å; D370-R373 PolarHBondContact OD1-N 2.9Å; D370-V374 PolarHBondContact O-N 3.38Å; D370-R394 IonicContact OD1-CZ 3.48Å; D370-R394 IonicContact OD1-NH1 3.15Å; D370-R394 PolarHBondContact OD1-NH1 3.26Å; D370-R394 IonicContact OD1-NH2 2.83Å; D370-R394 IonicContact OD2-CZ 2.69Å; D370-R394 IonicContact OD2-NH1 3.98Å; D370-R394 PolarHBondContact OD2-NH1 2.76Å; D370-R394 IonicContact OD2-NH2 2.76Å; D370-R394 PolarHBondContact OD2-NH2 3.22Å
371	N	98.7	Very high	96.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-9.2	-174	-175.9	60.8	0	0	0	112.5	T230 D231 C239 G240 Q242 I369	T230-N371 WeakPolarHBondContact CA-OD1 3.42Å; T230-N371 WeakPolarHBondContact CB-O 3.39Å; T230-N371 VanDerWaalsContact CG2-O 3.24Å; T230-N371 WeakPolarHBondContact CG2-O 3.45Å; D231-N371 PolarHBondContact N-OD1 3.39Å; D231-N371 PolarHBondContact O-ND2 3.38Å; C239-N371 WeakPolarHBondContact O-CB 3.2Å; C239-N371 PolarHBondContact O-ND2 3.01Å; G240-N371 PolarHBondContact O-N 3.31Å; G240-N371 VanDerWaalsContact O-N 3.08Å; Q242-N371 HydrophobicContact CB-CB 4.12Å; I369-N371 VanDerWaalsContact C-N 3.35Å; I369-N371 PolarHBondContact O-N 2.83Å
372	W	98.2	Very high	96.5	Very high	46 Å²	46	22.9 Å²	22.9	17%	0.174	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-4.5	170.6	-69.8	18.3	0	0	0	112.6	P238 C239 F262 Y316 M317 I318 D370 R394	P238-W372 PolarHBondContact O-NE1 2.93Å; C239-W372 VanDerWaalsContact O-CD1 3.28Å; C239-W372 PolarHBondContact O-NE1 3.05Å; F262-W372 VanDerWaalsContact CE1-O 3.31Å; F262-W372 WeakPolarHBondContact CE1-O 3.37Å; F262-W372 WeakPolarHBondContact CZ-O 3.29Å; Y316-W372 HydrophobicContact CD2-CZ3 4.43Å; M317-W372 CarbonylContact C-O 3.53Å; M317-W372 VanDerWaalsContact CA-O 3.29Å; M317-W372 WeakPolarHBondContact CA-O 3.35Å; M317-W372 HydrophobicContact CB-CB 4.19Å; M317-W372 HydrophobicContact CB-CD2 4.24Å; M317-W372 HydrophobicContact CB-CE3 3.99Å; M317-W372 HydrophobicContact CB-CG 4.36Å; M317-W372 HydrophobicContact CG-CB 3.97Å; M317-W372 HydrophobicContact CG-CD2 4.09Å; M317-W372 HydrophobicContact CG-CE3 4.33Å; M317-W372 HydrophobicContact CG-CG 3.94Å; M317-W372 HydrophobicContact SD-CD2 3.99Å; M317-W372 HydrophobicContact SD-CE3 4.36Å; M317-W372 HydrophobicContact SD-CG 4.21Å; I318-W372 WeakPolarHBondContact CG2-O 3.31Å; I318-W372 PolarHBondContact N-O 3.49Å; D370-W372 PolarHBondContact O-N 3.07Å; D370-W372 WeakPolarHBondContact OD1-CB 3.34Å; D370-W372 PolarHBondContact OD1-N 2.97Å; W372-R394 HydrophobicContact CZ2-CB 4.45Å; W372-R394 VanDerWaalsContact CZ3-CD 3.48Å
373	R	98.6	Very high	96.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131	-53.9	-175.5	174.1	179	170.6	-167.3	-3.5	113.7	I137 L173 D260 G261 F262 I318 D370	I137-R373 PolarHBondContact O-NH2 2.74Å; L173-R373 PolarHBondContact O-NH1 3.44Å; D260-R373 WeakPolarHBondContact OD1-CG 3.45Å; D260-R373 IonicContact OD1-CZ 2.73Å; D260-R373 IonicContact OD1-NE 2.83Å; D260-R373 PolarHBondContact OD1-NE 3.29Å; D260-R373 IonicContact OD1-NH2 2.77Å; D260-R373 IonicContact OD2-CZ 3.54Å; D260-R373 IonicContact OD2-NE 2.79Å; D260-R373 IonicContact OD2-NH2 3.5Å; D260-R373 PolarHBondContact OD2-NH2 2.74Å; G261-R373 WeakPolarHBondContact CA-O 3.49Å; G261-R373 PolarHBondContact N-O 3.21Å; F262-R373 HydrophobicContact CB-CG 4.35Å; F262-R373 HydrophobicContact CD1-CB 4.36Å; F262-R373 HydrophobicContact CD1-CG 4.03Å; F262-R373 HydrophobicContact CD2-CB 4.31Å; F262-R373 HydrophobicContact CD2-CG 3.7Å; F262-R373 HydrophobicContact CE1-CB 4.01Å; F262-R373 HydrophobicContact CE1-CG 4.17Å; F262-R373 HydrophobicContact CE2-CB 3.96Å; F262-R373 HydrophobicContact CE2-CG 3.86Å; F262-R373 HydrophobicContact CG-CB 4.49Å; F262-R373 HydrophobicContact CG-CG 3.77Å; F262-R373 HydrophobicContact CZ-CB 3.78Å; F262-R373 HydrophobicContact CZ-CG 4.08Å; I318-R373 WeakPolarHBondContact CG2-O 3.29Å; D370-R373 HydrophobicContact CB-CB 4.17Å; D370-R373 PolarHBondContact O-N 2.86Å; D370-R373 PolarHBondContact OD1-N 2.9Å
374	V	98.8	Very high	95.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	110.7	-171	-179.2	0	0	0	0	108.3	W139 I176 L258 V259 I369 D370	W139-V374 HydrophobicContact CH2-CG1 4.24Å; W139-V374 HydrophobicContact CZ2-CG1 4Å; W139-V374 HydrophobicContact CZ2-CG2 4.04Å; I176-V374 HydrophobicContact CG2-CB 4.29Å; I176-V374 HydrophobicContact CG2-CG1 3.92Å; I176-V374 HydrophobicContact CG2-CG2 4.29Å; L258-V374 HydrophobicContact CB-CG1 4.24Å; L258-V374 HydrophobicContact CD2-CG1 4.34Å; V259-V374 CarbonylContact O-C 3.54Å; V259-V374 WeakPolarHBondContact O-CA 3.26Å; I369-V374 HydrophobicContact CG2-CB 3.87Å; I369-V374 HydrophobicContact CG2-CG1 4.07Å; D370-V374 PolarHBondContact O-N 3.38Å
375	L	98.8	Very high	95.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	142.4	171.7	-71	74.5	0	0	0	108.3	R228 H229 T230 L258 V259 I318 Y320 L350	R228-L375 HydrophobicContact CB-CB 3.94Å; R228-L375 HydrophobicContact CB-CD2 4.06Å; R228-L375 HydrophobicContact CG-CD2 3.85Å; H229-L375 CarbonylContact O-C 3.53Å; H229-L375 VanDerWaalsContact O-CA 3.29Å; H229-L375 WeakPolarHBondContact O-CA 3.42Å; T230-L375 HydrophobicContact CG2-CD1 4.35Å; T230-L375 HydrophobicContact CG2-CG 4.08Å; L258-L375 CarbonylContact C-O 3.58Å; L258-L375 WeakPolarHBondContact CA-O 3.27Å; V259-L375 PolarHBondContact N-O 2.76Å; V259-L375 PolarHBondContact O-N 3.13Å; I318-L375 HydrophobicContact CD1-CD1 3.99Å; I318-L375 HydrophobicContact CG1-CD1 4.39Å; I318-L375 HydrophobicContact CG2-CD1 3.83Å; Y320-L375 HydrophobicContact CD1-CD2 3.34Å; Y320-L375 HydrophobicContact CE1-CD2 4Å; Y320-L375 HydrophobicContact CG-CD2 3.83Å; L350-L375 HydrophobicContact CD1-CD2 3.83Å; L350-L375 HydrophobicContact CD2-CD1 4.1Å; L350-L375 HydrophobicContact CD2-CD2 4.01Å
376	H	98.6	Very high	95.5	Very high	6 Å²	6	21.4 Å²	21.4	3%	0.028	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	161.4	178.6	68.3	-82.4	0	0	0	111.2	R228 H229 D231 F244 L257 L258 I369	R228-H376 CarbonylContact C-O 2.99Å; R228-H376 WeakPolarHBondContact CA-O 3.32Å; H229-H376 PolarHBondContact N-O 3.03Å; H229-H376 PolarHBondContact ND1-O 3.22Å; H229-H376 VanDerWaalsContact ND1-O 3.17Å; H229-H376 PolarHBondContact O-N 2.99Å; H229-H376 PolarHBondContact O-ND1 3.16Å; D231-H376 IonicContact OD1-CE1 3.93Å; D231-H376 IonicContact OD1-NE2 3.71Å; D231-H376 IonicContact OD2-CE1 2.71Å; D231-H376 PolarHBondContact OD2-CE1 2.69Å; D231-H376 IonicContact OD2-NE2 2.71Å; D231-H376 PolarHBondContact OD2-NE2 3.44Å; F244-H376 AromaticContact CE2-CD2 3.5Å; F244-H376 VanDerWaalsContact CE2-CD2 3.5Å; F244-H376 WeakPolarHBondContact CE2-CD2 3.49Å; F244-H376 AromaticContact CE2-NE2 3.48Å; F244-H376 WeakPolarHBondContact CE2-NE2 3.45Å; F244-H376 AromaticContact CZ-CD2 3.82Å; F244-H376 AromaticContact CZ-NE2 3.53Å; L257-H376 CarbonylContact O-C 3.51Å; L257-H376 WeakPolarHBondContact O-CA 3.26Å; L258-H376 HydrophobicContact CD2-CB 3.96Å; I369-H376 HydrophobicContact CD1-CB 3.9Å
377	G	96.8	Very high	95.2	Very high	5 Å²	5	21.7 Å²	21.7	5%	0.052	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	-168.9	-177.5	0	0	0	0	0	110.6	L226 T256 L257	L226-G377 WeakPolarHBondContact O-CA 3.33Å; T256-G377 WeakPolarHBondContact CA-O 3.42Å; L257-G377 PolarHBondContact N-O 3.02Å; L257-G377 PolarHBondContact O-N 2.86Å
378	R	95.2	Very high	95.1	Very high	13 Å²	13	21.7 Å²	21.7	5%	0.049	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	136.2	-174.6	-160.7	-167.4	59.2	-153.6	-3.2	112.1	A220 S222 L224 A225 L226 K255 F381	A220-R378 PolarHBondContact O-NH1 3.08Å; S222-R378 PolarHBondContact O-NH2 2.89Å; L224-R378 PolarHBondContact O-NH2 3.38Å; A225-R378 CarbonylContact C-O 3.5Å; A225-R378 VanDerWaalsContact CA-O 3.26Å; A225-R378 WeakPolarHBondContact CA-O 3.48Å; L226-R378 HydrophobicContact CB-CB 4.21Å; L226-R378 HydrophobicContact CD1-CB 4.23Å; L226-R378 HydrophobicContact CG-CB 4.4Å; L226-R378 PolarHBondContact N-O 3.44Å; L226-R378 PolarHBondContact O-N 2.8Å; K255-R378 WeakPolarHBondContact O-CA 3.33Å; R378-F381 VanDerWaalsContact CZ-CE1 3.48Å
379	E	94.4	Very high	95.1	Very high	56 Å²	56	21.7 Å²	21.7	26%	0.262	12%	0.124	S	C	.	.			trans	-59.5	152.1	163.9	-165.6	179.5	-144.1	0	0	109.4	G253 G254 K255 W358	G253-E379 VanDerWaalsContact C-OE2 3.23Å; G253-E379 VanDerWaalsContact CA-OE2 3.26Å; G253-E379 WeakPolarHBondContact CA-OE2 3.34Å; G254-E379 PolarHBondContact N-OE2 3.19Å; K255-E379 HydrophobicContact CB-CB 4.3Å; K255-E379 WeakPolarHBondContact CD-OE2 3.45Å; K255-E379 VanDerWaalsContact CG-OE2 3.29Å; K255-E379 WeakPolarHBondContact CG-OE2 3.42Å; K255-E379 PolarHBondContact N-OE2 3.03Å; K255-E379 IonicContact NZ-OE1 3.74Å; K255-E379 PolarHBondContact O-N 3.45Å; W358-E379 HydrophobicContact CH2-CB 4.44Å; W358-E379 HydrophobicContact CZ3-CB 3.87Å
380	S	92.7	Very high	95.1	Very high	66 Å²	66	21.7 Å²	21.7	46%	0.462	12%	0.124	S	C	.	.			trans	-60.8	158	165.5	51.3	0	0	0	0	110.1	Q223 G253 G254	Q223-S380 WeakPolarHBondContact O-CA 3.43Å; G253-S380 WeakPolarHBondContact CA-O 3.34Å; G254-S380 PolarHBondContact N-O 3.22Å
381	F	91.6	Very high	95	Very high	12 Å²	12	22.3 Å²	22.3	5%	0.053	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-146.6	165.6	-178	75.5	-86	0	0	0	112.4	Q223 T252 R378 R385	Q223-F381 HydrophobicContact CB-CE1 4.33Å; Q223-F381 HydrophobicContact CB-CZ 4.47Å; Q223-F381 HydrophobicContact CG-CE1 4.22Å; Q223-F381 HydrophobicContact CG-CE2 4.12Å; Q223-F381 HydrophobicContact CG-CZ 3.87Å; Q223-F381 PolarHBondContact O-N 3.5Å; T252-F381 CarbonylContact O-C 3.55Å; T252-F381 WeakPolarHBondContact O-CA 3.47Å; T252-F381 VanDerWaalsContact O-CB 3.32Å; T252-F381 WeakPolarHBondContact O-CB 3.48Å; R378-F381 VanDerWaalsContact CZ-CE1 3.48Å; F381-R385 HydrophobicContact CD2-CB 3.71Å; F381-R385 HydrophobicContact CD2-CG 4.46Å; F381-R385 HydrophobicContact CE2-CB 3.25Å; F381-R385 HydrophobicContact CE2-CG 4.25Å; F381-R385 HydrophobicContact CZ-CB 3.72Å; F381-R385 HydrophobicContact CZ-CG 4.43Å
382	T	89.3	Confident	95	Very high	69 Å²	69	22.2 Å²	22.2	42%	0.423	13%	0.127	S	C	.	.			trans	-120.1	159.4	175.8	62.3	0	0	0	0	110.9	G251 T252	G251-T382 WeakPolarHBondContact CA-O 3.23Å; T252-T382 PolarHBondContact N-OG1 2.92Å; T252-T382 PolarHBondContact O-N 2.72Å; T252-T382 PolarHBondContact OG1-OG1 3.35Å
383	G	88.3	Confident	94.9	Very high	41 Å²	41	21.6 Å²	21.6	42%	0.423	13%	0.128	S	C	.	.	S	Bend	trans	69.9	-154.6	174.5	0	0	0	0	0	114.2	E250	E250-G383 CarbonylContact O-C 3.53Å; E250-G383 WeakPolarHBondContact O-CA 3.23Å
384	L	88.5	Confident	94.7	Very high	59 Å²	59	22.1 Å²	22.1	31%	0.309	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.4	-175.3	178	63.1	0	0	0	110.7	R248 H249 E250	R248-L384 HydrophobicContact CG-CD2 4.31Å; H249-L384 CarbonylContact C-O 3.52Å; H249-L384 VanDerWaalsContact CA-O 3.31Å; H249-L384 WeakPolarHBondContact CA-O 3.43Å; E250-L384 HydrophobicContact CB-CB 4.34Å; E250-L384 PolarHBondContact N-O 3.29Å; E250-L384 PolarHBondContact O-N 2.88Å; E250-L384 VanDerWaalsContact O-N 3.07Å
385	R	90.4	Very high	94.5	Very high	9 Å²	9	27.7 Å²	27.7	3%	0.034	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	104.8	172.6	-174.2	170	-179.5	-76.2	2	110.1	R248 G254 F381	R248-R385 WeakPolarHBondContact O-CA 3.5Å; G254-R385 PolarHBondContact O-NE 3.27Å; G254-R385 PolarHBondContact O-NH2 3.32Å; F381-R385 HydrophobicContact CD2-CB 3.71Å; F381-R385 HydrophobicContact CD2-CG 4.46Å; F381-R385 HydrophobicContact CE2-CB 3.25Å; F381-R385 HydrophobicContact CE2-CG 4.25Å; F381-R385 HydrophobicContact CZ-CB 3.72Å; F381-R385 HydrophobicContact CZ-CG 4.43Å
386	Q	92.4	Very high	94.4	Very high	64 Å²	64	30.5 Å²	30.5	30%	0.299	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119.3	174.4	-169.1	177	1.6	0	0	109.6	S209 F210 L247 R248	S209-Q386 PolarHBondContact OG-NE2 3.19Å; S209-Q386 VanDerWaalsContact OG-NE2 3.07Å; F210-Q386 WeakPolarHBondContact O-CA 3.21Å; L247-Q386 HydrophobicContact CB-CB 4.33Å; L247-Q386 HydrophobicContact CB-CG 4.19Å; L247-Q386 HydrophobicContact CD1-CG 4.26Å; L247-Q386 PolarHBondContact N-O 2.85Å; R248-Q386 HydrophobicContact CB-CB 4.17Å; R248-Q386 PolarHBondContact N-O 2.96Å; R248-Q386 PolarHBondContact O-N 2.93Å
387	L	93.9	Very high	94.4	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.4	166	-77.4	176.9	0	0	0	108.9	S209 F210 F244 H245 C246 L361	S209-L387 CarbonylContact C-O 3.55Å; S209-L387 WeakPolarHBondContact CA-O 3.36Å; F210-L387 HydrophobicContact CE1-CB 4.42Å; F210-L387 HydrophobicContact CE2-CD1 4.34Å; F210-L387 HydrophobicContact CZ-CB 4.29Å; F210-L387 HydrophobicContact CZ-CD1 3.9Å; F210-L387 PolarHBondContact N-O 3.16Å; F210-L387 PolarHBondContact O-N 2.84Å; F244-L387 HydrophobicContact CD1-CD1 3.84Å; F244-L387 HydrophobicContact CE1-CD1 4.15Å; H245-L387 WeakPolarHBondContact O-CA 3.29Å; H245-L387 WeakPolarHBondContact O-CD2 3.48Å; C246-L387 HydrophobicContact CB-CD2 4.23Å; L361-L387 HydrophobicContact CD1-CD2 4.46Å
388	C	96.9	Very high	94.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	169.7	152.5	73.8	0	0	0	0	110.7	V186 T189 W208 H245 L247	V186-C388 HydrophobicContact CG2-CB 3.94Å; T189-C388 PolarHBondContact OG1-SG 3.3Å; W208-C388 VanDerWaalsContact CZ3-C 3.49Å; W208-C388 CarbonylContact O-C 3.56Å; W208-C388 WeakPolarHBondContact O-CA 3.27Å; W208-C388 WeakPolarHBondContact O-CB 3.31Å; H245-C388 PolarHBondContact N-O 3.46Å; H245-C388 PolarHBondContact O-N 3.49Å; L247-C388 HydrophobicContact CD1-CB 3.83Å; L247-C388 HydrophobicContact CG-CB 4.23Å
389	G	97.1	Very high	94.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.2	-176.3	-175.9	0	0	0	0	0	112.6	W208 V243	W208-G389 VanDerWaalsContact CE2-C 3.41Å; W208-G389 VanDerWaalsContact CZ3-N 3.33Å; W208-G389 PolarHBondContact N-O 3.38Å; W208-G389 PolarHBondContact O-N 3.28Å; V243-G389 WeakPolarHBondContact O-CA 3.38Å
390	C	98.4	Very high	94.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.6	172.3	-177.7	56.5	0	0	0	0	109.7	I199 R206 M207 Q242 V243	I199-C390 HydrophobicContact CG2-CB 3.98Å; R206-C390 VanDerWaalsContact O-CB 3.26Å; R206-C390 WeakPolarHBondContact O-CB 3.38Å; M207-C390 HydrophobicContact CE-CB 4.12Å; M207-C390 HydrophobicContact SD-CB 3.54Å; M207-C390 VanDerWaalsContact SD-CB 3.54Å; M207-C390 VanDerWaalsContact SD-SG 3.67Å; Q242-C390 PolarHBondContact OE1-O 3.38Å; V243-C390 PolarHBondContact N-O 3.29Å; V243-C390 PolarHBondContact O-N 3.38Å
391	Y	98.6	Very high	94.8	Very high	15 Å²	15	28.3 Å²	28.3	6%	0.059	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.6	175.4	-63.1	-71.4	0	0	0	111.1	R200 T202 Y204 W208 D231 T232 C239 I241 Q242	R200-Y391 PolarHBondContact N-O 2.98Å; T202-Y391 HydrophobicContact CG2-CD2 3.79Å; T202-Y391 HydrophobicContact CG2-CE2 4.43Å; Y204-Y391 HydrophobicContact CD2-CE2 4.16Å; W208-Y391 AromaticContact NE1-CE2 3.85Å; D231-Y391 HydrophobicContact CB-CE1 3.83Å; T232-Y391 HydrophobicContact CG2-CE1 4.22Å; T232-Y391 HydrophobicContact CG2-CE2 4.3Å; C239-Y391 HydrophobicContact CB-CD1 3.33Å; C239-Y391 HydrophobicContact CB-CE1 4.04Å; C239-Y391 HydrophobicContact CB-CG 3.66Å; C239-Y391 VanDerWaalsContact SG-CG 3.5Å; I241-Y391 VanDerWaalsContact O-CA 3.31Å; I241-Y391 WeakPolarHBondContact O-CA 3.31Å; Q242-Y391 HydrophobicContact CB-CD1 4.41Å; Q242-Y391 HydrophobicContact CB-CE1 4.37Å; Q242-Y391 HydrophobicContact CG-CE1 4.49Å
392	L	98.3	Very high	95.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152.3	165.9	-50.9	175.4	0	0	0	110.9	T193 V196 L198 I199 G240 I241 V243 F368 V397	T193-L392 HydrophobicContact CG2-CD1 4.1Å; T193-L392 HydrophobicContact CG2-CD2 3.2Å; T193-L392 HydrophobicContact CG2-CG 4Å; V196-L392 HydrophobicContact CB-CD1 4.39Å; V196-L392 HydrophobicContact CG1-CD1 4Å; L198-L392 WeakPolarHBondContact O-CD2 3.26Å; I199-L392 HydrophobicContact CB-CD2 4.43Å; I199-L392 HydrophobicContact CG1-CD2 3.96Å; G240-L392 PolarHBondContact N-O 2.97Å; G240-L392 VanDerWaalsContact N-O 3.1Å; I241-L392 HydrophobicContact CB-CB 3.89Å; I241-L392 HydrophobicContact CB-CD1 4.33Å; I241-L392 HydrophobicContact CB-CG 4.3Å; I241-L392 HydrophobicContact CD1-CB 4.16Å; I241-L392 HydrophobicContact CD1-CD1 4.02Å; I241-L392 HydrophobicContact CG1-CB 4.05Å; I241-L392 HydrophobicContact CG2-CD1 4.44Å; I241-L392 PolarHBondContact N-O 3.37Å; I241-L392 PolarHBondContact O-N 3.32Å; V243-L392 HydrophobicContact CG2-CD1 4.37Å; V243-L392 HydrophobicContact CG2-CG 4.3Å; F368-L392 HydrophobicContact CD1-CD1 4.19Å; F368-L392 HydrophobicContact CE1-CD1 4.17Å; L392-V397 HydrophobicContact CD1-CG2 4.14Å
393	T	95.1	Very high	95.5	Very high	32 Å²	32	37 Å²	37	20%	0.196	21%	0.207	C	C	.	.			trans	-66.5	141.3	163.9	44	0	0	0	0	109.9	R200 D396	R200-T393 HydrophobicContact CB-CG2 4.16Å; R200-T393 HydrophobicContact CG-CG2 4.29Å; T393-D396 VanDerWaalsContact CB-OD2 3.28Å; T393-D396 WeakPolarHBondContact CB-OD2 3.43Å; T393-D396 WeakPolarHBondContact OG1-CB 3.44Å; T393-D396 PolarHBondContact OG1-OD2 2.95Å
394	R	95.1	Very high	95.9	Very high	12 Å²	12	37.5 Å²	37.5	5%	0.045	20%	0.198	C	C	.	.	H	α-helix	trans	-68.2	-49	176.4	-168.5	178.5	-170.1	75.9	4.4	110	D370 W372 D396 V397 L398	D370-R394 IonicContact OD1-CZ 3.48Å; D370-R394 IonicContact OD1-NH1 3.15Å; D370-R394 PolarHBondContact OD1-NH1 3.26Å; D370-R394 IonicContact OD1-NH2 2.83Å; D370-R394 IonicContact OD2-CZ 2.69Å; D370-R394 IonicContact OD2-NH1 3.98Å; D370-R394 PolarHBondContact OD2-NH1 2.76Å; D370-R394 IonicContact OD2-NH2 2.76Å; D370-R394 PolarHBondContact OD2-NH2 3.22Å; W372-R394 HydrophobicContact CZ2-CB 4.45Å; W372-R394 VanDerWaalsContact CZ3-CD 3.48Å; R394-D396 PolarHBondContact O-N 3.1Å; R394-V397 PolarHBondContact O-N 3.02Å; R394-V397 VanDerWaalsContact O-N 3.08Å; R394-L398 HydrophobicContact CG-CD1 3.87Å; R394-L398 HydrophobicContact CG-CG 4.06Å; R394-L398 WeakPolarHBondContact O-CG 3.26Å; R394-L398 PolarHBondContact O-N 3Å
395	D	95.2	Very high	96.3	Very high	116 Å²	116	37.8 Å²	37.8	62%	0.62	22%	0.215	S	C	*	.	H	α-helix	trans	-58.9	-43	-170.2	-56.9	-54.5	0	0	0	112.8	V397 L398 S399	D395-V397 VanDerWaalsContact C-N 3.34Å; D395-V397 PolarHBondContact O-N 2.83Å; D395-L398 PolarHBondContact O-N 2.78Å; D395-S399 VanDerWaalsContact O-CB 3.24Å; D395-S399 WeakPolarHBondContact O-CB 3.21Å; D395-S399 PolarHBondContact O-N 3.13Å
396	D	96.6	Very high	96.6	Very high	60 Å²	60	38.3 Å²	38.3	32%	0.321	22%	0.219	S	C	.	.	H	α-helix	trans	-68	-31.2	179	-61.5	-77.9	0	0	0	112.7	S197 L198 T393 R394 S399 A400	S197-D396 VanDerWaalsContact OG-C 3.29Å; S197-D396 WeakPolarHBondContact OG-CB 3.5Å; L198-D396 HydrophobicContact CG-CB 4.4Å; T393-D396 VanDerWaalsContact CB-OD2 3.28Å; T393-D396 WeakPolarHBondContact CB-OD2 3.43Å; T393-D396 WeakPolarHBondContact OG1-CB 3.44Å; T393-D396 PolarHBondContact OG1-OD2 2.95Å; R394-D396 PolarHBondContact O-N 3.1Å; D396-S399 WeakPolarHBondContact O-CB 3.45Å; D396-A400 WeakPolarHBondContact O-CB 3.32Å; D396-A400 PolarHBondContact O-N 3.36Å
397	V	97.1	Very high	96.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-73.1	-39.9	172.6	168.3	0	0	0	0	112.4	L168 Y171 V196 S197 I241 L392 R394 D395 S399 A400 A401	L168-V397 HydrophobicContact CD2-CG1 3.96Å; Y171-V397 HydrophobicContact CD1-CG1 4.25Å; Y171-V397 HydrophobicContact CE1-CG1 3.96Å; V196-V397 HydrophobicContact CG1-CG2 3.75Å; S197-V397 PolarHBondContact OG-N 3.16Å; I241-V397 HydrophobicContact CD1-CB 3.73Å; I241-V397 HydrophobicContact CD1-CG1 3.78Å; I241-V397 HydrophobicContact CD1-CG2 3.42Å; I241-V397 VanDerWaalsContact CD1-CG2 3.42Å; L392-V397 HydrophobicContact CD1-CG2 4.14Å; R394-V397 PolarHBondContact O-N 3.02Å; R394-V397 VanDerWaalsContact O-N 3.08Å; D395-V397 VanDerWaalsContact C-N 3.34Å; D395-V397 PolarHBondContact O-N 2.83Å; V397-S399 VanDerWaalsContact C-N 3.28Å; V397-S399 PolarHBondContact O-N 2.97Å; V397-A400 PolarHBondContact O-N 2.7Å; V397-A401 WeakPolarHBondContact O-CB 3.46Å; V397-A401 PolarHBondContact O-N 3.27Å
398	L	97	Very high	96.4	Very high	14 Å²	14	40.8 Å²	40.8	7%	0.073	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-38.9	173.2	-56.9	179.5	0	0	0	110.5	Q134 L172 R394 D395 A401 R402 A408	Q134-L398 VanDerWaalsContact NE2-CD2 3.33Å; L172-L398 HydrophobicContact CD2-CD2 3.67Å; R394-L398 HydrophobicContact CG-CD1 3.87Å; R394-L398 HydrophobicContact CG-CG 4.06Å; R394-L398 WeakPolarHBondContact O-CG 3.26Å; R394-L398 PolarHBondContact O-N 3Å; D395-L398 PolarHBondContact O-N 2.78Å; L398-A401 PolarHBondContact O-N 2.67Å; L398-R402 VanDerWaalsContact O-CG 3.3Å; L398-R402 WeakPolarHBondContact O-CG 3.42Å; L398-R402 PolarHBondContact O-N 3.06Å; L398-A408 HydrophobicContact CB-CB 4.3Å; L398-A408 HydrophobicContact CD2-CB 4.06Å
399	S	97.3	Very high	96.4	Very high	61 Å²	61	42.8 Å²	42.8	43%	0.427	24%	0.243	S	C	.	.	H	α-helix	trans	-59.4	-52.9	173.1	-172.6	0	0	0	0	111.6	D395 D396 V397 A401 R402 C403	D395-S399 VanDerWaalsContact O-CB 3.24Å; D395-S399 WeakPolarHBondContact O-CB 3.21Å; D395-S399 PolarHBondContact O-N 3.13Å; D396-S399 WeakPolarHBondContact O-CB 3.45Å; V397-S399 VanDerWaalsContact C-N 3.28Å; V397-S399 PolarHBondContact O-N 2.97Å; S399-A401 VanDerWaalsContact C-N 3.3Å; S399-A401 PolarHBondContact O-N 3.01Å; S399-R402 WeakPolarHBondContact O-CB 3.26Å; S399-R402 PolarHBondContact O-N 2.84Å; S399-R402 VanDerWaalsContact O-N 3.12Å; S399-C403 PolarHBondContact O-N 2.96Å; S399-C403 PolarHBondContact O-SG 2.74Å; S399-C403 VanDerWaalsContact O-SG 3.39Å
400	A	97.1	Very high	96.3	Very high	23 Å²	23	45.1 Å²	45.1	19%	0.19	26%	0.256	C	S	.	.	H	α-helix	trans	-56.5	-43.1	176.2	0	0	0	0	0	112.1	D396 V397 C403 F404	D396-A400 WeakPolarHBondContact O-CB 3.32Å; D396-A400 PolarHBondContact O-N 3.36Å; V397-A400 PolarHBondContact O-N 2.7Å; A400-C403 WeakPolarHBondContact O-CB 3.48Å; A400-C403 PolarHBondContact O-N 3.21Å; A400-F404 WeakPolarHBondContact O-CD2 3.46Å; A400-F404 PolarHBondContact O-N 3.03Å
401	A	97.7	Very high	96.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-41.6	176.3	0	0	0	0	0	113	L168 L172 V397 L398 S399 C403 F404 G405 L406 A408	L168-A401 HydrophobicContact CB-CB 4.49Å; L168-A401 HydrophobicContact CD1-CB 4.49Å; L172-A401 HydrophobicContact CD1-CB 3.73Å; V397-A401 WeakPolarHBondContact O-CB 3.46Å; V397-A401 PolarHBondContact O-N 3.27Å; L398-A401 PolarHBondContact O-N 2.67Å; S399-A401 VanDerWaalsContact C-N 3.3Å; S399-A401 PolarHBondContact O-N 3.01Å; A401-C403 VanDerWaalsContact C-N 3.34Å; A401-C403 PolarHBondContact O-N 3.29Å; A401-F404 CarbonylContact O-C 3.58Å; A401-F404 WeakPolarHBondContact O-CA 3.44Å; A401-F404 PolarHBondContact O-N 3.08Å; A401-F404 VanDerWaalsContact O-N 3.09Å; A401-G405 PolarHBondContact O-N 3.27Å; A401-L406 HydrophobicContact CB-CB 4.19Å; A401-L406 HydrophobicContact CB-CD1 4.05Å; A401-L406 WeakPolarHBondContact O-CB 3.28Å; A401-L406 PolarHBondContact O-N 3.19Å; A401-A408 HydrophobicContact CB-CB 3.82Å
402	R	97.5	Very high	96.1	Very high	154 Å²	154	49.5 Å²	49.5	58%	0.581	28%	0.282	S	S	*	.	H	α-helix	trans	-62.4	-38.6	173.4	-73	172.3	-173.3	168.6	6.6	112	L398 S399 F404 G405 A408	L398-R402 VanDerWaalsContact O-CG 3.3Å; L398-R402 WeakPolarHBondContact O-CG 3.42Å; L398-R402 PolarHBondContact O-N 3.06Å; S399-R402 WeakPolarHBondContact O-CB 3.26Å; S399-R402 PolarHBondContact O-N 2.84Å; S399-R402 VanDerWaalsContact O-N 3.12Å; R402-F404 PolarHBondContact O-N 3.11Å; R402-G405 WeakPolarHBondContact O-CA 3.46Å; R402-G405 PolarHBondContact O-N 2.93Å; R402-A408 HydrophobicContact CG-CB 4.29Å; R402-A408 PolarHBondContact NE-O 3.31Å; R402-A408 PolarHBondContact NH2-O 3.34Å; R402-A408 PolarHBondContact NH2-OXT 3.47Å
403	C	97.1	Very high	96	Very high	109 Å²	109	52.6 Å²	52.6	74%	0.736	30%	0.3	S	S	*	.	H	α-helix	trans	-61.4	-28.7	173	-68.3	0	0	0	0	112.9	S399 A400 A401 G405	S399-C403 PolarHBondContact O-N 2.96Å; S399-C403 PolarHBondContact O-SG 2.74Å; S399-C403 VanDerWaalsContact O-SG 3.39Å; A400-C403 WeakPolarHBondContact O-CB 3.48Å; A400-C403 PolarHBondContact O-N 3.21Å; A401-C403 VanDerWaalsContact C-N 3.34Å; A401-C403 PolarHBondContact O-N 3.29Å; C403-G405 VanDerWaalsContact C-N 3.29Å
404	F	96.9	Very high	96	Very high	52 Å²	52	53.9 Å²	53.9	23%	0.228	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	3.7	170.2	-72.4	-61.6	0	0	0	114.3	D161 L164 K165 L168 A400 A401 R402 L406	D161-F404 HydrophobicContact CB-CE1 3.81Å; D161-F404 HydrophobicContact CB-CZ 4.29Å; L164-F404 HydrophobicContact CD2-CE2 3.64Å; L164-F404 HydrophobicContact CD2-CZ 3.83Å; L164-F404 HydrophobicContact CG-CE2 3.98Å; L164-F404 HydrophobicContact CG-CZ 4.35Å; K165-F404 HydrophobicContact CB-CB 4.19Å; K165-F404 HydrophobicContact CB-CD1 4.19Å; K165-F404 HydrophobicContact CB-CG 4.1Å; K165-F404 HydrophobicContact CD-CB 4.05Å; K165-F404 WeakPolarHBondContact CE-O 3.21Å; K165-F404 HydrophobicContact CG-CB 3.97Å; K165-F404 HydrophobicContact CG-CG 4.43Å; K165-F404 PolarHBondContact NZ-O 3.04Å; L168-F404 HydrophobicContact CD1-CD2 3.62Å; L168-F404 HydrophobicContact CD1-CE2 3.93Å; A400-F404 WeakPolarHBondContact O-CD2 3.46Å; A400-F404 PolarHBondContact O-N 3.03Å; A401-F404 CarbonylContact O-C 3.58Å; A401-F404 WeakPolarHBondContact O-CA 3.44Å; A401-F404 PolarHBondContact O-N 3.08Å; A401-F404 VanDerWaalsContact O-N 3.09Å; R402-F404 PolarHBondContact O-N 3.11Å; F404-L406 HydrophobicContact CB-CG 4.45Å
405	G	96.6	Very high	96.1	Very high	64 Å²	64	56.9 Å²	56.9	66%	0.66	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	30.9	-177.7	0	0	0	0	0	113.6	A401 R402 C403	A401-G405 PolarHBondContact O-N 3.27Å; R402-G405 WeakPolarHBondContact O-CA 3.46Å; R402-G405 PolarHBondContact O-N 2.93Å; C403-G405 VanDerWaalsContact C-N 3.29Å
406	L	96.5	Very high	96.1	Very high	21 Å²	21	52.4 Å²	52.4	11%	0.11	30%	0.303	C	S	.	.			trans	-92.5	146.4	169.7	-57.2	174.1	0	0	0	109.9	K165 L168 Q169 L172 A401 F404 A408	K165-L406 HydrophobicContact CG-CD1 4.31Å; K165-L406 HydrophobicContact CG-CD2 4.18Å; K165-L406 HydrophobicContact CG-CG 4.36Å; L168-L406 HydrophobicContact CB-CD1 3.77Å; Q169-L406 HydrophobicContact CB-CD1 4.07Å; Q169-L406 HydrophobicContact CB-CD2 3.97Å; Q169-L406 HydrophobicContact CG-CD2 4.19Å; L172-L406 HydrophobicContact CD1-CB 4.23Å; L172-L406 HydrophobicContact CD1-CD1 4.27Å; A401-L406 HydrophobicContact CB-CB 4.19Å; A401-L406 HydrophobicContact CB-CD1 4.05Å; A401-L406 WeakPolarHBondContact O-CB 3.28Å; A401-L406 PolarHBondContact O-N 3.19Å; F404-L406 HydrophobicContact CB-CG 4.45Å; L406-A408 PolarHBondContact O-N 3.1Å
407	Q	93.1	Very high	96.1	Very high	111 Å²	111	51.8 Å²	51.8	52%	0.519	30%	0.302	S	S	.	.			trans	-77.7	116.2	169.2	-171.7	-179.6	-10.3	0	0	108.7	M132 P135	M132-Q407 PolarHBondContact O-NE2 3.06Å; P135-Q407 HydrophobicContact CG-CB 4.02Å; P135-Q407 HydrophobicContact CG-CG 3.86Å; P135-Q407 VanDerWaalsContact CG-OE1 3.27Å
408	A	89.6	Confident	96	Very high	10 Å²	10	56.3 Å²	56.3	8%	0.083	33%	0.328	C	S	.	.			trans	-153.5	0	-170.7	0	0	0	0	0	110	Q134 L172 L398 A401 R402 L406	Q134-A408 WeakPolarHBondContact CG-OXT 3.34Å; Q134-A408 PolarHBondContact NE2-OXT 3.14Å; L172-A408 HydrophobicContact CD1-CB 3.63Å; L172-A408 HydrophobicContact CD2-CB 3.99Å; L172-A408 HydrophobicContact CG-CB 4.49Å; L398-A408 HydrophobicContact CB-CB 4.3Å; L398-A408 HydrophobicContact CD2-CB 4.06Å; A401-A408 HydrophobicContact CB-CB 3.82Å; R402-A408 HydrophobicContact CG-CB 4.29Å; R402-A408 PolarHBondContact NE-O 3.31Å; R402-A408 PolarHBondContact NH2-O 3.34Å; R402-A408 PolarHBondContact NH2-OXT 3.47Å; L406-A408 PolarHBondContact O-N 3.1Å

Retrieved 408 of 408 residues in 77.5 ms (Link to these results)

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