A0A087YGU1_POEFO Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A087YGU1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 640 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	31.5	Very low	31.3	Very low	248 Å²	248	143.5 Å²	143.5	100%	1.222	87%	0.868	S	S	*	*				0	147.9	0	-57.9	-177.2	-176.8	0	0	107.7
2	A	27.7	Very low	31.6	Very low	100 Å²	100	146.6 Å²	146.6	83%	0.826	87%	0.869	S	S	*	*			cis	-160.4	169	-22.1	0	0	0	0	0	109
3	R	32.5	Very low	31.7	Very low	239 Å²	239	148.2 Å²	148.2	90%	0.902	87%	0.871	S	S	*	*			trans	-63.2	-175	171.7	-82.4	178.6	170	-174.6	-2.8	113.2
4	P	48.1	Very low	31.4	Very low	126 Å²	126	141.9 Å²	141.9	82%	0.818	85%	0.854	S	S	*	*			cis	-134.4	179.7	-2.2	19.8	6.2	0	0	0	115.8
5	G	27.6	Very low	31.4	Very low	76 Å²	76	141.3 Å²	141.3	78%	0.784	85%	0.851	S	S	*	*			trans	-156.4	114.7	160.4	0	0	0	0	0	112.7
6	S	31.4	Very low	31.2	Very low	131 Å²	131	136.6 Å²	136.6	92%	0.916	84%	0.84	S	S	*	*			trans	-69.8	162.6	170.5	-50.5	0	0	0	0	110.7
7	G	26.7	Very low	31.3	Very low	74 Å²	74	140.9 Å²	140.9	76%	0.763	84%	0.839	S	S	*	*			cis	146.3	123.3	3	0	0	0	0	0	109.1
8	L	28.5	Very low	31.4	Very low	186 Å²	186	138.8 Å²	138.8	97%	0.974	83%	0.83	S	S	*	*			trans	-149.3	146	175.2	-107.4	165.5	0	0	0	109.6
9	L	28.4	Very low	31.8	Very low	157 Å²	157	136.9 Å²	136.9	82%	0.822	82%	0.821	S	S	*	*			trans	-120.7	140.9	-159.7	-80.9	168.9	0	0	0	113.3
10	V	30.5	Very low	32.5	Very low	124 Å²	124	137.9 Å²	137.9	75%	0.752	82%	0.816	S	S	*	*			trans	75.1	145	142.4	166.6	0	0	0	0	116.2
11	P	31.9	Very low	33.3	Very low	118 Å²	118	136.7 Å²	136.7	77%	0.766	81%	0.806	S	S	*	*			cis	-115	141.3	17.6	20.8	1.1	0	0	0	117.7
12	M	35.2	Very low	35	Very low	180 Å²	180	128.4 Å²	128.4	89%	0.887	77%	0.767	S	S	*	*			trans	-81.1	115.2	163.9	171.7	-178.7	169.3	0	0	109.1
13	N	32.2	Very low	37.5	Very low	167 Å²	167	125.1 Å²	125.1	89%	0.893	74%	0.74	S	S	*	*			trans	-142.3	109.5	167.2	-131	-4	0	0	0	109.5
14	G	27.7	Very low	40.1	Very low	61 Å²	61	116.6 Å²	116.6	63%	0.629	71%	0.707	S	S	*	*			trans	160.4	79.8	-171.3	0	0	0	0	0	111.4	G16	G14-G16 PolarHBondContact O-N 3.13Å
15	V	31.5	Very low	42.2	Very low	133 Å²	133	110.7 Å²	110.7	81%	0.806	67%	0.669	S	S	*	*			trans	-73.8	77.1	171.7	-176.3	0	0	0	0	108.6	Y17	V15-Y17 HydrophobicContact CG1-CD2 4.47Å; V15-Y17 HydrophobicContact CG1-CE2 4.3Å; V15-Y17 PolarHBondContact O-N 2.85Å
16	G	27.3	Very low	45.4	Very low	66 Å²	66	107 Å²	107	68%	0.68	63%	0.632	S	S	*	*			trans	-73.4	100.3	173.5	0	0	0	0	0	110.3	G14 P18	G14-G16 PolarHBondContact O-N 3.13Å; G16-P18 WeakPolarHBondContact O-CD 3.16Å
17	Y	32.8	Very low	48.4	Very low	209 Å²	209	100.8 Å²	100.8	82%	0.82	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-64	121.5	155.1	-80.7	-92.3	0	0	0	107.6	V15	V15-Y17 HydrophobicContact CG1-CD2 4.47Å; V15-Y17 HydrophobicContact CG1-CE2 4.3Å; V15-Y17 PolarHBondContact O-N 2.85Å
18	P	33.7	Very low	51.7	Low	104 Å²	104	97.4 Å²	97.4	68%	0.675	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-63.3	135.9	172.8	26.6	-32.9	0	0	0	108.6	G16 Q20	G16-P18 WeakPolarHBondContact O-CD 3.16Å; P18-Q20 PolarHBondContact O-N 3.23Å; P18-Q20 VanDerWaalsContact O-N 3.1Å
19	P	39.3	Very low	54.8	Low	103 Å²	103	88.7 Å²	88.7	67%	0.669	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-62.6	118.3	175	25.9	-32.6	0	0	0	108.6	N21	P19-N21 VanDerWaalsContact C-N 3.33Å; P19-N21 PolarHBondContact O-N 2.83Å
20	Q	44.6	Very low	57.9	Low	155 Å²	155	84 Å²	84	72%	0.724	48%	0.478	S	S	*	.			trans	-68	90.2	177.7	-71.6	-173.4	-11.1	0	0	110	P18 L22	P18-Q20 PolarHBondContact O-N 3.23Å; P18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-L22 HydrophobicContact CB-CD1 4.26Å; Q20-L22 HydrophobicContact CB-CG 4.16Å; Q20-L22 PolarHBondContact O-N 2.95Å
21	N	50.2	Low	60.7	Low	113 Å²	113	80.3 Å²	80.3	60%	0.604	45%	0.453	S	S	*	.			trans	-68.5	74	167.1	-88.5	-36.4	0	0	0	109.7	P19 A23 G182 S183	P19-N21 VanDerWaalsContact C-N 3.33Å; P19-N21 PolarHBondContact O-N 2.83Å; N21-A23 PolarHBondContact O-N 3.33Å; N21-G182 VanDerWaalsContact OD1-CA 3.3Å; N21-G182 WeakPolarHBondContact OD1-CA 3.46Å; N21-S183 PolarHBondContact OD1-N 3.47Å
22	L	67.7	Low	63.2	Low	75 Å²	75	75.6 Å²	75.6	39%	0.393	42%	0.422	S	S	.	.			trans	-82.7	109.6	176.4	-72.8	167.8	0	0	0	109.5	Q20 R24 I184	Q20-L22 HydrophobicContact CB-CD1 4.26Å; Q20-L22 HydrophobicContact CB-CG 4.16Å; Q20-L22 PolarHBondContact O-N 2.95Å; L22-R24 PolarHBondContact O-N 2.8Å; L22-I184 HydrophobicContact CB-CD1 3.99Å
23	A	79.8	Confident	65.1	Low	31 Å²	31	74.5 Å²	74.5	26%	0.256	42%	0.415	S	S	.	.			trans	-59.1	137	170.2	0	0	0	0	0	110.3	N21 P99 L179 I180 M181	N21-A23 PolarHBondContact O-N 3.33Å; A23-P99 HydrophobicContact CB-CG 4.18Å; A23-P99 WeakPolarHBondContact O-CD 3.36Å; A23-P99 VanDerWaalsContact O-CG 3.3Å; A23-P99 WeakPolarHBondContact O-CG 3.33Å; A23-L179 HydrophobicContact CB-CD1 4.16Å; A23-L179 HydrophobicContact CB-CG 4.43Å; A23-I180 WeakPolarHBondContact CA-O 3.34Å; A23-M181 HydrophobicContact CB-CG 4.26Å
24	R	87.4	Confident	67.1	Low	59 Å²	59	74.4 Å²	74.4	22%	0.223	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.8	178.5	-68.1	-66.5	178.7	174.1	-9.6	110.3	L22 F96 Y97 E98 I180 I184	L22-R24 PolarHBondContact O-N 2.8Å; R24-F96 HydrophobicContact CB-CB 4.48Å; R24-F96 HydrophobicContact CB-CD1 4.42Å; R24-Y97 WeakPolarHBondContact CD-O 3.42Å; R24-E98 IonicContact NH1-OE1 3.3Å; R24-E98 PolarHBondContact NH1-OE1 3.26Å; R24-I180 HydrophobicContact CB-CG1 4.35Å; R24-I180 PolarHBondContact N-O 2.86Å; R24-I180 WeakPolarHBondContact O-CG1 3.27Å; R24-I180 PolarHBondContact O-N 3.22Å; R24-I184 HydrophobicContact CG-CD1 3.6Å; R24-I184 HydrophobicContact CG-CG1 4.49Å
25	V	92	Very high	69.5	Low	2 Å²	2	74 Å²	74	1%	0.012	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.3	174.9	177.6	0	0	0	0	108.3	F96 Y97 P99 P103 Y177 P178 L179	V25-F96 WeakPolarHBondContact O-CA 3.45Å; V25-Y97 PolarHBondContact N-O 2.82Å; V25-Y97 PolarHBondContact O-N 2.64Å; V25-P99 HydrophobicContact CG2-CB 4.4Å; V25-P99 HydrophobicContact CG2-CG 4.49Å; V25-P103 HydrophobicContact CG1-CB 3.96Å; V25-P103 HydrophobicContact CG1-CG 4.33Å; V25-Y177 VanDerWaalsContact CG1-CB 3.43Å; V25-P178 CarbonylContact C-O 3.58Å; V25-P178 WeakPolarHBondContact CA-O 3.45Å; V25-L179 HydrophobicContact CG2-CD1 3.79Å
26	V	94	Very high	71.8	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	129	-179.2	-167.2	0	0	0	0	109.8	E49 R94 N95 F96 P178 I180	V26-E49 WeakPolarHBondContact CG1-OE1 3.43Å; V26-R94 HydrophobicContact CG1-CG 3.44Å; V26-R94 VanDerWaalsContact CG1-CG 3.44Å; V26-N95 WeakPolarHBondContact CA-O 3.48Å; V26-F96 HydrophobicContact CG1-CE1 4.26Å; V26-F96 HydrophobicContact CG2-CD1 3.99Å; V26-F96 HydrophobicContact CG2-CE1 3.86Å; V26-P178 HydrophobicContact CB-CB 4.45Å; V26-P178 PolarHBondContact N-O 3.28Å; V26-P178 WeakPolarHBondContact O-CD 3.34Å; V26-I180 HydrophobicContact CG2-CB 4.34Å; V26-I180 HydrophobicContact CG2-CD1 3.66Å; V26-I180 HydrophobicContact CG2-CG1 3.68Å; V26-I180 HydrophobicContact CG2-CG2 3.76Å
27	V	95.1	Very high	74.8	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.5	170.5	-178.5	0	0	0	0	107.2	E29 P39 N95 Y97 P103 M123 Y177	V27-E29 HydrophobicContact CG1-CG 3.84Å; V27-P39 HydrophobicContact CG1-CB 3.79Å; V27-N95 PolarHBondContact N-O 3.15Å; V27-N95 PolarHBondContact O-N 3.43Å; V27-Y97 HydrophobicContact CB-CD2 4.01Å; V27-Y97 HydrophobicContact CB-CE2 3.81Å; V27-Y97 HydrophobicContact CG2-CD2 3.57Å; V27-Y97 HydrophobicContact CG2-CE2 3.79Å; V27-P103 HydrophobicContact CG2-CB 3.74Å; V27-P103 HydrophobicContact CG2-CG 4.14Å; V27-M123 HydrophobicContact CG1-CE 3.84Å; V27-M123 HydrophobicContact CG1-CG 4.25Å; V27-M123 HydrophobicContact CG2-CE 4.03Å; V27-M123 HydrophobicContact CG2-CG 4.14Å; V27-M123 HydrophobicContact CG2-SD 4.46Å; V27-Y177 HydrophobicContact CB-CD1 4.22Å; V27-Y177 HydrophobicContact CB-CE1 4.4Å; V27-Y177 HydrophobicContact CG1-CD1 4.15Å; V27-Y177 HydrophobicContact CG1-CE1 3.82Å; V27-Y177 HydrophobicContact CG2-CD1 3.72Å; V27-Y177 HydrophobicContact CG2-CE1 4.13Å; V27-Y177 HydrophobicContact CG2-CG 3.98Å
28	W	95.2	Very high	77.6	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.008	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	134.7	167.8	-77.4	83.5	0	0	0	109	Y40 C45 I48 E49 L52 L76 M79 V92 Q93 R94	W28-Y40 HydrophobicContact CB-CD2 3.79Å; W28-Y40 HydrophobicContact CB-CE2 4.45Å; W28-Y40 WeakPolarHBondContact O-CD2 3.42Å; W28-Y40 PolarHBondContact O-N 3.33Å; W28-C45 PolarHBondContact N-SG 3.06Å; W28-C45 VanDerWaalsContact N-SG 3.35Å; W28-I48 HydrophobicContact CB-CD1 3.88Å; W28-I48 HydrophobicContact CD2-CB 4.4Å; W28-I48 HydrophobicContact CD2-CD1 4.37Å; W28-I48 HydrophobicContact CD2-CG2 3.58Å; W28-I48 HydrophobicContact CE3-CG2 4.06Å; W28-I48 HydrophobicContact CG-CB 4.31Å; W28-I48 HydrophobicContact CG-CD1 3.97Å; W28-I48 HydrophobicContact CG-CG2 3.99Å; W28-I48 HydrophobicContact CH2-CG2 4.05Å; W28-I48 HydrophobicContact CZ2-CG2 3.59Å; W28-I48 HydrophobicContact CZ3-CG2 4.26Å; W28-E49 PolarHBondContact NE1-OE1 3.06Å; W28-L52 HydrophobicContact CZ2-CD2 4.21Å; W28-L76 HydrophobicContact CH2-CD2 3.75Å; W28-L76 HydrophobicContact CZ2-CD2 4.36Å; W28-L76 HydrophobicContact CZ3-CD2 4.26Å; W28-M79 HydrophobicContact CE3-CE 4.45Å; W28-M79 HydrophobicContact CH2-CE 3.75Å; W28-M79 HydrophobicContact CH2-SD 3.78Å; W28-M79 HydrophobicContact CZ3-CE 3.45Å; W28-M79 VanDerWaalsContact CZ3-CE 3.45Å; W28-M79 HydrophobicContact CZ3-SD 3.83Å; W28-V92 HydrophobicContact CE3-CB 4.48Å; W28-V92 HydrophobicContact CE3-CG2 4.39Å; W28-V92 HydrophobicContact CZ3-CG2 4.06Å; W28-Q93 WeakPolarHBondContact CA-O 3.46Å; W28-R94 HydrophobicContact CD2-CB 4.15Å; W28-R94 HydrophobicContact CD2-CG 4.33Å; W28-R94 HydrophobicContact CE3-CB 4.29Å; W28-R94 HydrophobicContact CH2-CB 4.05Å; W28-R94 HydrophobicContact CZ2-CB 3.86Å; W28-R94 HydrophobicContact CZ2-CG 3.82Å; W28-R94 HydrophobicContact CZ3-CB 4.26Å
29	E	94.9	Very high	80.5	Confident	4 Å²	4	60.5 Å²	60.5	2%	0.019	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.3	-174.8	-56.8	175	146.1	0	0	109.6	V27 W37 R38 V92 Q93 N95 Y97 M123	V27-E29 HydrophobicContact CG1-CG 3.84Å; E29-W37 HydrophobicContact CB-CB 4.23Å; E29-W37 HydrophobicContact CB-CE3 4Å; E29-R38 CarbonylContact C-O 3.59Å; E29-R38 WeakPolarHBondContact CA-O 3.22Å; E29-V92 CarbonylContact O-C 3.55Å; E29-V92 VanDerWaalsContact O-CA 3.23Å; E29-V92 WeakPolarHBondContact O-CA 3.29Å; E29-Q93 HydrophobicContact CB-CG 4.01Å; E29-Q93 PolarHBondContact N-O 3.08Å; E29-Q93 PolarHBondContact O-N 2.84Å; E29-Q93 PolarHBondContact OE2-NE2 3.46Å; E29-N95 PolarHBondContact OE2-ND2 2.88Å; E29-Y97 PolarHBondContact OE1-OH 3.28Å; E29-Y97 VanDerWaalsContact OE1-OH 3.05Å; E29-M123 VanDerWaalsContact OE1-CB 3.3Å; E29-M123 WeakPolarHBondContact OE1-CB 3.36Å
30	W	93	Very high	83.1	Confident	59 Å²	59	55.9 Å²	55.9	22%	0.223	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143	175.4	60.1	-86	0	0	0	110.9	N32 W37 R38 Y40 V92	W30-N32 HydrophobicContact CE3-CB 4.09Å; W30-N32 HydrophobicContact CH2-CB 3.98Å; W30-N32 HydrophobicContact CZ3-CB 3.45Å; W30-N32 VanDerWaalsContact CZ3-CB 3.45Å; W30-N32 PolarHBondContact O-N 3.17Å; W30-W37 VanDerWaalsContact C-CE3 3.45Å; W30-R38 VanDerWaalsContact CD1-O 3.32Å; W30-R38 HydrophobicContact CD2-CB 4.12Å; W30-R38 HydrophobicContact CH2-CG 4.3Å; W30-R38 HydrophobicContact CZ2-CB 3.86Å; W30-R38 HydrophobicContact CZ2-CG 4.06Å; W30-R38 PolarHBondContact N-O 3.27Å; W30-R38 PolarHBondContact O-N 3.48Å; W30-Y40 HydrophobicContact CB-CE2 3.93Å; W30-Y40 AromaticContact CD1-CD1 3.77Å; W30-Y40 AromaticContact CD1-CE1 3.5Å; W30-Y40 AromaticContact CD1-CE2 3.81Å; W30-Y40 AromaticContact CD1-CZ 3.54Å; W30-Y40 HydrophobicContact CG-CE1 4.2Å; W30-Y40 HydrophobicContact CG-CE2 4.26Å; W30-Y40 AromaticContact CG-CZ 3.91Å; W30-V92 HydrophobicContact CB-CG1 4.02Å
31	L	89.6	Confident	85.4	Confident	45 Å²	45	50.7 Å²	50.7	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	119.3	-179.4	-170	68.8	0	0	0	109.8	W37 P91	L31-W37 HydrophobicContact CB-CD2 4.36Å; L31-W37 HydrophobicContact CB-CE3 3.99Å; L31-W37 HydrophobicContact CB-CH2 3.99Å; L31-W37 HydrophobicContact CB-CZ2 4.34Å; L31-W37 HydrophobicContact CB-CZ3 3.8Å; L31-W37 HydrophobicContact CD1-CD2 3.97Å; L31-W37 HydrophobicContact CD1-CE3 4.44Å; L31-W37 HydrophobicContact CD1-CG 4.28Å; L31-W37 HydrophobicContact CD1-CZ2 4.23Å; L31-P91 HydrophobicContact CB-CB 4.23Å; L31-P91 HydrophobicContact CB-CG 4.45Å; L31-P91 HydrophobicContact CD2-CB 4.5Å; L31-P91 HydrophobicContact CD2-CG 4.1Å; L31-P91 PolarHBondContact N-O 3.25Å
32	N	83.1	Confident	87.5	Confident	20 Å²	20	45.3 Å²	45.3	11%	0.107	23%	0.227	C	C	.	.			trans	-83.8	170.8	176.4	75.7	28.5	0	0	0	112.9	W30 H34 G35 R36 R38	W30-N32 HydrophobicContact CE3-CB 4.09Å; W30-N32 HydrophobicContact CH2-CB 3.98Å; W30-N32 HydrophobicContact CZ3-CB 3.45Å; W30-N32 VanDerWaalsContact CZ3-CB 3.45Å; W30-N32 PolarHBondContact O-N 3.17Å; N32-H34 PolarHBondContact O-N 3.31Å; N32-H34 VanDerWaalsContact O-N 3.15Å; N32-H34 WeakPolarHBondContact OD1-CA 3.34Å; N32-H34 WeakPolarHBondContact OD1-CB 3.02Å; N32-H34 PolarHBondContact OD1-N 3.46Å; N32-G35 PolarHBondContact O-N 3.38Å; N32-G35 PolarHBondContact OD1-N 2.84Å; N32-R36 PolarHBondContact N-O 2.91Å; N32-R36 PolarHBondContact ND2-O 3.16Å; N32-R36 PolarHBondContact OD1-N 3.1Å; N32-R36 PolarHBondContact OD1-O 3.29Å; N32-R38 HydrophobicContact CB-CG 4.11Å; N32-R38 VanDerWaalsContact ND2-CG 3.35Å; N32-R38 WeakPolarHBondContact ND2-CG 3.33Å; N32-R38 PolarHBondContact ND2-NE 2.96Å
33	E	75.8	Confident	88.7	Confident	157 Å²	157	43.8 Å²	43.8	73%	0.734	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.8	-177	-65.7	170.4	-178.5	0	0	113.7	G35 R90	E33-G35 VanDerWaalsContact C-N 3.28Å; E33-R90 IonicContact OE1-CZ 2.89Å; E33-R90 IonicContact OE1-NH2 3.68Å; E33-R90 PolarHBondContact OE1-NH2 3.07Å
34	H	73.4	Confident	89.5	Confident	164 Å²	164	42.3 Å²	42.3	76%	0.759	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	11.5	173	-51	-49.3	0	0	0	112.8	N32 R36	N32-H34 PolarHBondContact O-N 3.31Å; N32-H34 VanDerWaalsContact O-N 3.15Å; N32-H34 WeakPolarHBondContact OD1-CA 3.34Å; N32-H34 WeakPolarHBondContact OD1-CB 3.02Å; N32-H34 PolarHBondContact OD1-N 3.46Å; H34-R36 VanDerWaalsContact C-N 3.32Å; H34-R36 PolarHBondContact O-N 3.38Å
35	G	78.3	Confident	89.8	Confident	52 Å²	52	39.5 Å²	39.5	54%	0.536	20%	0.202	S	C	.	.	S	Bend	trans	69.8	26.3	-179.9	0	0	0	0	0	113.8	N32 E33	N32-G35 PolarHBondContact O-N 3.38Å; N32-G35 PolarHBondContact OD1-N 2.84Å; E33-G35 VanDerWaalsContact C-N 3.28Å
36	R	80.9	Confident	90	Very high	84 Å²	84	42.1 Å²	42.1	32%	0.317	21%	0.214	S	C	.	.			trans	-116.4	136.2	-176.8	-71.2	-79.6	-114.3	-84.2	7.3	111.3	N32 H34 R38 D122 G146 F147	N32-R36 PolarHBondContact N-O 2.91Å; N32-R36 PolarHBondContact ND2-O 3.16Å; N32-R36 PolarHBondContact OD1-N 3.1Å; N32-R36 PolarHBondContact OD1-O 3.29Å; H34-R36 VanDerWaalsContact C-N 3.32Å; H34-R36 PolarHBondContact O-N 3.38Å; R36-R38 PolarHBondContact O-N 2.84Å; R36-D122 IonicContact NE-OD2 3.7Å; R36-D122 PolarHBondContact NE-OD2 3.25Å; R36-G146 PolarHBondContact NH2-O 2.97Å; R36-F147 VanDerWaalsContact NH2-CD2 3.27Å; R36-F147 VanDerWaalsContact NH2-CG 3.32Å
37	W	89.6	Confident	90	Very high	77 Å²	77	43.7 Å²	43.7	29%	0.292	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	119.4	177.2	-69.1	107.5	0	0	0	110.4	E29 W30 L31 P91 Q93	E29-W37 HydrophobicContact CB-CB 4.23Å; E29-W37 HydrophobicContact CB-CE3 4Å; W30-W37 VanDerWaalsContact C-CE3 3.45Å; L31-W37 HydrophobicContact CB-CD2 4.36Å; L31-W37 HydrophobicContact CB-CE3 3.99Å; L31-W37 HydrophobicContact CB-CH2 3.99Å; L31-W37 HydrophobicContact CB-CZ2 4.34Å; L31-W37 HydrophobicContact CB-CZ3 3.8Å; L31-W37 HydrophobicContact CD1-CD2 3.97Å; L31-W37 HydrophobicContact CD1-CE3 4.44Å; L31-W37 HydrophobicContact CD1-CG 4.28Å; L31-W37 HydrophobicContact CD1-CZ2 4.23Å; W37-P91 HydrophobicContact CH2-CB 3.9Å; W37-P91 WeakPolarHBondContact CZ3-O 3.46Å; W37-Q93 HydrophobicContact CD2-CG 3.93Å; W37-Q93 VanDerWaalsContact CE2-CD 3.42Å; W37-Q93 HydrophobicContact CE3-CB 4.45Å; W37-Q93 HydrophobicContact CE3-CG 3.66Å; W37-Q93 HydrophobicContact CH2-CB 3.83Å; W37-Q93 HydrophobicContact CH2-CG 3.87Å; W37-Q93 HydrophobicContact CZ2-CB 4.32Å; W37-Q93 HydrophobicContact CZ2-CG 4.13Å; W37-Q93 HydrophobicContact CZ3-CB 3.91Å; W37-Q93 HydrophobicContact CZ3-CG 3.63Å
38	R	91.8	Very high	89.9	Confident	53 Å²	53	43.7 Å²	43.7	20%	0.2	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131	174.9	-64	-52.9	-148.5	151.6	16.1	109.7	E29 W30 N32 R36 P120 D122	E29-R38 CarbonylContact C-O 3.59Å; E29-R38 WeakPolarHBondContact CA-O 3.22Å; W30-R38 VanDerWaalsContact CD1-O 3.32Å; W30-R38 HydrophobicContact CD2-CB 4.12Å; W30-R38 HydrophobicContact CH2-CG 4.3Å; W30-R38 HydrophobicContact CZ2-CB 3.86Å; W30-R38 HydrophobicContact CZ2-CG 4.06Å; W30-R38 PolarHBondContact N-O 3.27Å; W30-R38 PolarHBondContact O-N 3.48Å; N32-R38 HydrophobicContact CB-CG 4.11Å; N32-R38 VanDerWaalsContact ND2-CG 3.35Å; N32-R38 WeakPolarHBondContact ND2-CG 3.33Å; N32-R38 PolarHBondContact ND2-NE 2.96Å; R36-R38 PolarHBondContact O-N 2.84Å; R38-P120 PolarHBondContact NH1-O 2.66Å; R38-D122 WeakPolarHBondContact CD-OD1 3.14Å; R38-D122 IonicContact CZ-OD1 2.65Å; R38-D122 IonicContact NE-OD1 2.75Å; R38-D122 PolarHBondContact NE-OD1 2.7Å; R38-D122 IonicContact NH1-OD1 2.64Å; R38-D122 PolarHBondContact NH1-OD1 3.21Å
39	P	94	Very high	89.8	Confident	15 Å²	15	43.7 Å²	43.7	10%	0.097	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	141.1	173.6	29.6	-34	0	0	0	110.5	V27 M123	V27-P39 HydrophobicContact CG1-CB 3.79Å; P39-M123 HydrophobicContact CB-CB 4.41Å; P39-M123 HydrophobicContact CB-CE 3.8Å; P39-M123 HydrophobicContact CG-CB 4.48Å; P39-M123 HydrophobicContact CG-CE 4.14Å
40	Y	94.6	Very high	89.6	Confident	6 Å²	6	48 Å²	48	2%	0.024	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-69.9	162.2	157.7	-68.9	-75.1	0	0	0	109.8	W28 W30 V44 I48 L62 L69 I74 Q81 V92 Y177	W28-Y40 HydrophobicContact CB-CD2 3.79Å; W28-Y40 HydrophobicContact CB-CE2 4.45Å; W28-Y40 WeakPolarHBondContact O-CD2 3.42Å; W28-Y40 PolarHBondContact O-N 3.33Å; W30-Y40 HydrophobicContact CB-CE2 3.93Å; W30-Y40 AromaticContact CD1-CD1 3.77Å; W30-Y40 AromaticContact CD1-CE1 3.5Å; W30-Y40 AromaticContact CD1-CE2 3.81Å; W30-Y40 AromaticContact CD1-CZ 3.54Å; W30-Y40 HydrophobicContact CG-CE1 4.2Å; W30-Y40 HydrophobicContact CG-CE2 4.26Å; W30-Y40 AromaticContact CG-CZ 3.91Å; Y40-V44 HydrophobicContact CD1-CG1 3.88Å; Y40-V44 HydrophobicContact CG-CG1 3.91Å; Y40-I48 HydrophobicContact CD2-CD1 4.17Å; Y40-I48 HydrophobicContact CE2-CD1 4.43Å; Y40-L62 HydrophobicContact CD1-CD1 4.42Å; Y40-L62 HydrophobicContact CE1-CD1 3.63Å; Y40-L69 HydrophobicContact CD1-CD1 4.12Å; Y40-L69 HydrophobicContact CE1-CD1 4.38Å; Y40-I74 HydrophobicContact CE2-CD1 3.81Å; Y40-Q81 VanDerWaalsContact OH-CD 3.31Å; Y40-Q81 PolarHBondContact OH-NE2 2.96Å; Y40-V92 HydrophobicContact CE2-CG1 4.03Å; Y40-V92 WeakPolarHBondContact OH-CG1 3.26Å; Y40-Y177 WeakPolarHBondContact O-CE1 3.45Å; Y40-Y177 PolarHBondContact O-OH 2.99Å
41	S	93.4	Very high	89.4	Confident	46 Å²	46	47 Å²	47	32%	0.322	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-61.5	157	172.5	67.4	0	0	0	0	111.3	A43 V44 C45	S41-A43 VanDerWaalsContact C-N 3.28Å; S41-A43 PolarHBondContact O-N 3.35Å; S41-V44 PolarHBondContact O-N 2.87Å; S41-V44 VanDerWaalsContact OG-CG2 3.3Å; S41-V44 WeakPolarHBondContact OG-CG2 3.3Å; S41-V44 PolarHBondContact OG-N 3.5Å; S41-C45 PolarHBondContact O-N 2.78Å; S41-C45 PolarHBondContact O-SG 3.41Å
42	A	93.6	Very high	89.2	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-59.2	-39.4	179	0	0	0	0	0	112.2	C45 H46 L175 Y177	A42-C45 WeakPolarHBondContact O-CB 3.21Å; A42-C45 PolarHBondContact O-N 2.84Å; A42-H46 PolarHBondContact O-CD2 3.5Å; A42-H46 PolarHBondContact O-N 3.08Å; A42-L175 HydrophobicContact CB-CB 4Å; A42-L175 HydrophobicContact CB-CD2 4.45Å; A42-L175 HydrophobicContact CB-CG 4.23Å; A42-L175 WeakPolarHBondContact CB-O 3.48Å; A42-Y177 HydrophobicContact CB-CD1 4.14Å; A42-Y177 HydrophobicContact CB-CD2 3.93Å; A42-Y177 HydrophobicContact CB-CE1 4.2Å; A42-Y177 HydrophobicContact CB-CE2 3.99Å; A42-Y177 HydrophobicContact CB-CG 4.02Å
43	A	94	Very high	89.3	Confident	42 Å²	42	52.4 Å²	52.4	35%	0.347	27%	0.267	S	S	.	.	H	α-helix	trans	-59.7	-46.1	175.5	0	0	0	0	0	112.3	S41 C45 H46 H47 V65	S41-A43 VanDerWaalsContact C-N 3.28Å; S41-A43 PolarHBondContact O-N 3.35Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-C45 PolarHBondContact O-N 2.83Å; A43-H46 PolarHBondContact O-N 3.43Å; A43-H47 PolarHBondContact O-N 2.74Å; A43-H47 VanDerWaalsContact O-N 3.08Å; A43-V65 HydrophobicContact CB-CG1 3.91Å
44	V	95.1	Very high	89.5	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-38.9	175.6	170.7	0	0	0	0	111	Y40 S41 H47 I48 L62 V65 D66 L69	Y40-V44 HydrophobicContact CD1-CG1 3.88Å; Y40-V44 HydrophobicContact CG-CG1 3.91Å; S41-V44 PolarHBondContact O-N 2.87Å; S41-V44 VanDerWaalsContact OG-CG2 3.3Å; S41-V44 WeakPolarHBondContact OG-CG2 3.3Å; S41-V44 PolarHBondContact OG-N 3.5Å; V44-H47 PolarHBondContact O-N 3.04Å; V44-I48 HydrophobicContact CG1-CD1 3.74Å; V44-I48 HydrophobicContact CG1-CG1 4.33Å; V44-I48 VanDerWaalsContact O-CG1 3.28Å; V44-I48 WeakPolarHBondContact O-CG1 3.42Å; V44-I48 PolarHBondContact O-N 3.46Å; V44-L62 HydrophobicContact CG1-CD2 4.02Å; V44-V65 HydrophobicContact CG2-CB 4.38Å; V44-V65 HydrophobicContact CG2-CG1 4.08Å; V44-D66 HydrophobicContact CG2-CB 4.1Å; V44-L69 HydrophobicContact CG1-CD1 4.49Å; V44-L69 HydrophobicContact CG2-CD1 4.05Å
45	C	95.2	Very high	89.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-41.5	174.8	-66.3	0	0	0	0	112.7	W28 S41 A42 A43 H47 I48 E49 Y177 P178	W28-C45 PolarHBondContact N-SG 3.06Å; W28-C45 VanDerWaalsContact N-SG 3.35Å; S41-C45 PolarHBondContact O-N 2.78Å; S41-C45 PolarHBondContact O-SG 3.41Å; A42-C45 WeakPolarHBondContact O-CB 3.21Å; A42-C45 PolarHBondContact O-N 2.84Å; A43-C45 VanDerWaalsContact C-N 3.34Å; A43-C45 PolarHBondContact O-N 2.83Å; C45-H47 VanDerWaalsContact C-N 3.33Å; C45-H47 PolarHBondContact O-N 2.92Å; C45-I48 PolarHBondContact O-N 3.16Å; C45-E49 WeakPolarHBondContact O-CB 3.26Å; C45-E49 WeakPolarHBondContact O-CG 3.47Å; C45-E49 PolarHBondContact O-N 3.47Å; C45-Y177 HydrophobicContact CB-CD1 3.94Å; C45-Y177 HydrophobicContact CB-CE1 4.32Å; C45-Y177 VanDerWaalsContact SG-CE1 3.58Å; C45-P178 HydrophobicContact CB-CG 3.94Å
46	H	94.6	Very high	89.5	Confident	57 Å²	57	45.4 Å²	45.4	26%	0.264	26%	0.255	S	S	.	.	H	α-helix	trans	-60.7	-41.8	173.8	-84.3	-76.1	0	0	0	111.9	A42 A43 E49 N50 A176 P178	A42-H46 PolarHBondContact O-CD2 3.5Å; A42-H46 PolarHBondContact O-N 3.08Å; A43-H46 PolarHBondContact O-N 3.43Å; H46-E49 PolarHBondContact O-N 2.83Å; H46-N50 WeakPolarHBondContact O-CB 3.38Å; H46-N50 PolarHBondContact O-N 3.03Å; H46-N50 PolarHBondContact O-ND2 2.74Å; H46-A176 PolarHBondContact NE2-O 2.88Å; H46-P178 HydrophobicContact CB-CG 4.26Å
47	H	94	Very high	89.1	Confident	33 Å²	33	50.3 Å²	50.3	15%	0.153	27%	0.274	C	S	.	.	H	α-helix	trans	-65.3	-47.3	177.1	176.6	75.1	0	0	0	112.6	A43 V44 C45 E49 N50 V51 V60 Q64 V65	A43-H47 PolarHBondContact O-N 2.74Å; A43-H47 VanDerWaalsContact O-N 3.08Å; V44-H47 PolarHBondContact O-N 3.04Å; C45-H47 VanDerWaalsContact C-N 3.33Å; C45-H47 PolarHBondContact O-N 2.92Å; H47-E49 VanDerWaalsContact C-N 3.33Å; H47-E49 PolarHBondContact O-N 2.85Å; H47-N50 PolarHBondContact O-N 3.27Å; H47-N50 VanDerWaalsContact O-N 3.15Å; H47-V51 PolarHBondContact O-N 3.23Å; H47-V60 WeakPolarHBondContact CD2-CG1 3.35Å; H47-V60 WeakPolarHBondContact NE2-CG1 3.4Å; H47-Q64 PolarHBondContact CE1-OE1 3.25Å; H47-Q64 VanDerWaalsContact CE1-OE1 3.27Å; H47-V65 HydrophobicContact CB-CG2 3.66Å
48	I	93.9	Very high	88.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-44.4	175.6	-61.5	159.8	0	0	0	110.8	W28 Y40 V44 C45 N50 V51 L52 V60 L62 I74 L76	W28-I48 HydrophobicContact CB-CD1 3.88Å; W28-I48 HydrophobicContact CD2-CB 4.4Å; W28-I48 HydrophobicContact CD2-CD1 4.37Å; W28-I48 HydrophobicContact CD2-CG2 3.58Å; W28-I48 HydrophobicContact CE3-CG2 4.06Å; W28-I48 HydrophobicContact CG-CB 4.31Å; W28-I48 HydrophobicContact CG-CD1 3.97Å; W28-I48 HydrophobicContact CG-CG2 3.99Å; W28-I48 HydrophobicContact CH2-CG2 4.05Å; W28-I48 HydrophobicContact CZ2-CG2 3.59Å; W28-I48 HydrophobicContact CZ3-CG2 4.26Å; Y40-I48 HydrophobicContact CD2-CD1 4.17Å; Y40-I48 HydrophobicContact CE2-CD1 4.43Å; V44-I48 HydrophobicContact CG1-CD1 3.74Å; V44-I48 HydrophobicContact CG1-CG1 4.33Å; V44-I48 VanDerWaalsContact O-CG1 3.28Å; V44-I48 WeakPolarHBondContact O-CG1 3.42Å; V44-I48 PolarHBondContact O-N 3.46Å; C45-I48 PolarHBondContact O-N 3.16Å; I48-N50 VanDerWaalsContact C-N 3.34Å; I48-N50 PolarHBondContact O-N 2.89Å; I48-V51 PolarHBondContact O-N 3.48Å; I48-L52 VanDerWaalsContact O-CB 3.31Å; I48-L52 WeakPolarHBondContact O-CB 3.24Å; I48-L52 PolarHBondContact O-N 2.87Å; I48-V60 HydrophobicContact CG1-CG1 3.99Å; I48-V60 HydrophobicContact CG2-CG2 4.39Å; I48-L62 HydrophobicContact CD1-CD2 4.26Å; I48-L62 HydrophobicContact CG1-CD2 4.17Å; I48-I74 HydrophobicContact CD1-CD1 3.58Å; I48-I74 HydrophobicContact CG1-CD1 4.12Å; I48-L76 HydrophobicContact CG2-CD2 4.03Å
49	E	93.2	Very high	88.2	Confident	2 Å²	2	48 Å²	48	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-35.6	176.4	-76.3	-66.5	124.7	0	0	113.3	V26 W28 C45 H46 H47 K53 R94 P178	V26-E49 WeakPolarHBondContact CG1-OE1 3.43Å; W28-E49 PolarHBondContact NE1-OE1 3.06Å; C45-E49 WeakPolarHBondContact O-CB 3.26Å; C45-E49 WeakPolarHBondContact O-CG 3.47Å; C45-E49 PolarHBondContact O-N 3.47Å; H46-E49 PolarHBondContact O-N 2.83Å; H47-E49 VanDerWaalsContact C-N 3.33Å; H47-E49 PolarHBondContact O-N 2.85Å; E49-K53 WeakPolarHBondContact O-CD 3.32Å; E49-K53 VanDerWaalsContact O-CG 3.23Å; E49-K53 WeakPolarHBondContact O-CG 3.32Å; E49-K53 PolarHBondContact O-N 3.15Å; E49-K53 VanDerWaalsContact O-N 3.1Å; E49-R94 VanDerWaalsContact CD-NH2 3.34Å; E49-R94 IonicContact OE1-CZ 3.18Å; E49-R94 IonicContact OE1-NE 2.81Å; E49-R94 PolarHBondContact OE1-NE 3.16Å; E49-R94 IonicContact OE1-NH2 3.63Å; E49-R94 PolarHBondContact OE1-NH2 3.22Å; E49-R94 IonicContact OE2-CZ 2.99Å; E49-R94 IonicContact OE2-NE 2.63Å; E49-R94 IonicContact OE2-NH2 2.69Å; E49-R94 PolarHBondContact OE2-NH2 3.42Å; E49-P178 HydrophobicContact CB-CB 4.37Å; E49-P178 HydrophobicContact CB-CG 4.38Å; E49-P178 HydrophobicContact CG-CB 3.84Å; E49-P178 HydrophobicContact CG-CG 3.89Å
50	N	90.5	Very high	88.1	Confident	93 Å²	93	47.3 Å²	47.3	50%	0.497	27%	0.274	S	S	.	.	H	α-helix	trans	-71.7	-39.2	177.9	-72.2	-17.3	0	0	0	111.8	H46 H47 I48 K53 G54	H46-N50 WeakPolarHBondContact O-CB 3.38Å; H46-N50 PolarHBondContact O-N 3.03Å; H46-N50 PolarHBondContact O-ND2 2.74Å; H47-N50 PolarHBondContact O-N 3.27Å; H47-N50 VanDerWaalsContact O-N 3.15Å; I48-N50 VanDerWaalsContact C-N 3.34Å; I48-N50 PolarHBondContact O-N 2.89Å; N50-K53 PolarHBondContact O-N 2.94Å; N50-K53 PolarHBondContact OD1-NZ 3.31Å; N50-G54 PolarHBondContact O-N 2.95Å
51	V	88	Confident	87.8	Confident	40 Å²	40	49.4 Å²	49.4	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-65.6	-45.2	171.9	179.5	0	0	0	0	110.7	H47 I48 K53 G54 D55 V60 L76	H47-V51 PolarHBondContact O-N 3.23Å; I48-V51 PolarHBondContact O-N 3.48Å; V51-K53 PolarHBondContact O-N 3.09Å; V51-G54 PolarHBondContact O-N 3.4Å; V51-D55 PolarHBondContact O-N 2.93Å; V51-V60 HydrophobicContact CB-CG2 3.98Å; V51-V60 HydrophobicContact CG1-CG2 3.9Å; V51-V60 HydrophobicContact CG2-CG1 4.25Å; V51-V60 HydrophobicContact CG2-CG2 4.45Å; V51-L76 HydrophobicContact CG1-CD1 4.24Å
52	L	87.2	Confident	87.6	Confident	36 Å²	36	47.3 Å²	47.3	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-57.8	-33.7	178	-173.1	80.1	0	0	0	113.3	W28 I48 L76	W28-L52 HydrophobicContact CZ2-CD2 4.21Å; I48-L52 VanDerWaalsContact O-CB 3.31Å; I48-L52 WeakPolarHBondContact O-CB 3.24Å; I48-L52 PolarHBondContact O-N 2.87Å; L52-L76 HydrophobicContact CB-CD1 4.33Å; L52-L76 HydrophobicContact CD1-CD1 4.02Å; L52-L76 HydrophobicContact CD1-CD2 4.39Å
53	K	84.6	Confident	87.3	Confident	141 Å²	141	48.5 Å²	48.5	61%	0.613	29%	0.285	S	S	*	.	H	α-helix	trans	-70.1	-31.5	175.2	-73.5	164.8	-167.7	165.2	0	113	E49 N50 V51	E49-K53 WeakPolarHBondContact O-CD 3.32Å; E49-K53 VanDerWaalsContact O-CG 3.23Å; E49-K53 WeakPolarHBondContact O-CG 3.32Å; E49-K53 PolarHBondContact O-N 3.15Å; E49-K53 VanDerWaalsContact O-N 3.1Å; N50-K53 PolarHBondContact O-N 2.94Å; N50-K53 PolarHBondContact OD1-NZ 3.31Å; V51-K53 PolarHBondContact O-N 3.09Å
54	G	79.1	Confident	86.9	Confident	75 Å²	75	53.1 Å²	53.1	77%	0.773	30%	0.3	S	S	*	.	H	α-helix	trans	-86.2	-47.9	179.3	0	0	0	0	0	112.9	N50 V51	N50-G54 PolarHBondContact O-N 2.95Å; V51-G54 PolarHBondContact O-N 3.4Å
55	D	79.5	Confident	86.7	Confident	85 Å²	85	56.1 Å²	56.1	46%	0.455	32%	0.318	S	S	.	.			trans	-138.7	104.9	177.5	-179.6	6	0	0	0	110.9	V51 R57 G58	V51-D55 PolarHBondContact O-N 2.93Å; D55-R57 PolarHBondContact O-N 3.32Å; D55-R57 PolarHBondContact OD1-N 3.19Å; D55-G58 VanDerWaalsContact CG-N 3.26Å; D55-G58 PolarHBondContact O-N 3.49Å; D55-G58 PolarHBondContact OD1-N 2.99Å; D55-G58 WeakPolarHBondContact OD2-CA 3.32Å; D55-G58 PolarHBondContact OD2-N 2.94Å
56	A	72.4	Confident	86.3	Confident	67 Å²	67	58.5 Å²	58.5	55%	0.554	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-2.6	179.2	0	0	0	0	0	114.4
57	R	73	Confident	86	Confident	187 Å²	187	59.6 Å²	59.6	71%	0.706	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.2	6.1	175.1	-62.5	-171.6	176.5	-178.3	-0.3	113	D55	D55-R57 PolarHBondContact O-N 3.32Å; D55-R57 PolarHBondContact OD1-N 3.19Å
58	G	76.3	Confident	85.7	Confident	9 Å²	9	66.1 Å²	66.1	9%	0.093	38%	0.38	C	S	.	.			trans	-73.4	175.1	-176.8	0	0	0	0	0	114	D55 L76	D55-G58 VanDerWaalsContact CG-N 3.26Å; D55-G58 PolarHBondContact O-N 3.49Å; D55-G58 PolarHBondContact OD1-N 2.99Å; D55-G58 WeakPolarHBondContact OD2-CA 3.32Å; D55-G58 PolarHBondContact OD2-N 2.94Å; G58-L76 VanDerWaalsContact O-CB 3.31Å; G58-L76 WeakPolarHBondContact O-CB 3.42Å; G58-L76 WeakPolarHBondContact O-CG 3.38Å; G58-L76 PolarHBondContact O-N 3.47Å; G58-L76 VanDerWaalsContact O-N 3.13Å
59	S	86.9	Confident	85.5	Confident	71 Å²	71	67.6 Å²	67.6	50%	0.497	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.2	170.2	-70.7	0	0	0	0	110.5	I74	S59-I74 CarbonylContact C-O 3.54Å; S59-I74 VanDerWaalsContact CA-O 3.29Å; S59-I74 WeakPolarHBondContact CA-O 3.49Å
60	V	90	Very high	85.1	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.006	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.6	-178.3	-168.3	0	0	0	0	110	H47 I48 V51 L62 I73 I74 L76	H47-V60 WeakPolarHBondContact CD2-CG1 3.35Å; H47-V60 WeakPolarHBondContact NE2-CG1 3.4Å; I48-V60 HydrophobicContact CG1-CG1 3.99Å; I48-V60 HydrophobicContact CG2-CG2 4.39Å; V51-V60 HydrophobicContact CB-CG2 3.98Å; V51-V60 HydrophobicContact CG1-CG2 3.9Å; V51-V60 HydrophobicContact CG2-CG1 4.25Å; V51-V60 HydrophobicContact CG2-CG2 4.45Å; V60-L62 HydrophobicContact CG1-CD2 4.09Å; V60-L62 PolarHBondContact O-N 3.13Å; V60-I73 CarbonylContact O-C 3.6Å; V60-I73 VanDerWaalsContact O-CA 3.26Å; V60-I73 WeakPolarHBondContact O-CA 3.41Å; V60-I73 WeakPolarHBondContact O-CG2 3.22Å; V60-I74 HydrophobicContact CB-CB 4.3Å; V60-I74 PolarHBondContact N-O 3.43Å; V60-I74 PolarHBondContact O-N 3.42Å; V60-L76 HydrophobicContact CG2-CD1 3.72Å; V60-L76 HydrophobicContact CG2-CD2 3.94Å; V60-L76 HydrophobicContact CG2-CG 3.84Å
61	V	90	Very high	84.9	Confident	51 Å²	51	67.5 Å²	67.5	31%	0.309	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	101.4	179.4	-174.7	0	0	0	0	109.7	G63 Q64 I73	V61-G63 PolarHBondContact O-N 2.88Å; V61-Q64 HydrophobicContact CB-CG 4.19Å; V61-Q64 HydrophobicContact CG1-CG 4.35Å; V61-Q64 WeakPolarHBondContact O-CB 3.32Å; V61-Q64 WeakPolarHBondContact O-CG 3Å; V61-Q64 PolarHBondContact O-N 2.83Å; V61-Q64 VanDerWaalsContact O-N 3.15Å; V61-I73 HydrophobicContact CB-CG1 4.48Å; V61-I73 HydrophobicContact CG1-CG1 4.42Å; V61-I73 HydrophobicContact CG2-CD1 3.89Å; V61-I73 HydrophobicContact CG2-CG1 4.11Å
62	L	88.3	Confident	84.8	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-65.4	-26.8	-171	-55.6	-173.3	0	0	0	113	Y40 V44 I48 V60 Q64 V65 D66 L69 Y72 I74	Y40-L62 HydrophobicContact CD1-CD1 4.42Å; Y40-L62 HydrophobicContact CE1-CD1 3.63Å; V44-L62 HydrophobicContact CG1-CD2 4.02Å; I48-L62 HydrophobicContact CD1-CD2 4.26Å; I48-L62 HydrophobicContact CG1-CD2 4.17Å; V60-L62 HydrophobicContact CG1-CD2 4.09Å; V60-L62 PolarHBondContact O-N 3.13Å; L62-Q64 PolarHBondContact O-N 3.17Å; L62-Q64 VanDerWaalsContact O-N 3.1Å; L62-V65 PolarHBondContact O-N 3.12Å; L62-V65 VanDerWaalsContact O-N 3.1Å; L62-D66 PolarHBondContact O-N 3.23Å; L62-D66 VanDerWaalsContact O-N 3.08Å; L62-L69 HydrophobicContact CB-CB 3.6Å; L62-L69 HydrophobicContact CB-CD1 4.24Å; L62-L69 HydrophobicContact CD1-CB 4.4Å; L62-L69 HydrophobicContact CD1-CD1 4.17Å; L62-Y72 PolarHBondContact N-O 3.18Å; L62-Y72 VanDerWaalsContact N-O 3.14Å; L62-I74 HydrophobicContact CD1-CD1 4.14Å; L62-I74 HydrophobicContact CD1-CG1 4.06Å; L62-I74 HydrophobicContact CD2-CD1 3.83Å; L62-I74 HydrophobicContact CD2-CG1 4.03Å; L62-I74 HydrophobicContact CG-CD1 4.46Å; L62-I74 HydrophobicContact CG-CG1 4.27Å
63	G	86.7	Confident	84.9	Confident	26 Å²	26	66.7 Å²	66.7	27%	0.268	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-55.4	-20.1	173.2	0	0	0	0	0	116.2	V61 V65 D66 L69	V61-G63 PolarHBondContact O-N 2.88Å; G63-V65 PolarHBondContact O-N 3.35Å; G63-D66 WeakPolarHBondContact CA-O 3.4Å; G63-L69 PolarHBondContact N-O 3.12Å
64	Q	87.3	Confident	85.2	Confident	140 Å²	140	60 Å²	60	65%	0.654	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-70.1	-17.5	177.1	-65.7	-177.3	-4.6	0	0	113.1	H47 V61 L62	H47-Q64 PolarHBondContact CE1-OE1 3.25Å; H47-Q64 VanDerWaalsContact CE1-OE1 3.27Å; V61-Q64 HydrophobicContact CB-CG 4.19Å; V61-Q64 HydrophobicContact CG1-CG 4.35Å; V61-Q64 WeakPolarHBondContact O-CB 3.32Å; V61-Q64 WeakPolarHBondContact O-CG 3Å; V61-Q64 PolarHBondContact O-N 2.83Å; V61-Q64 VanDerWaalsContact O-N 3.15Å; L62-Q64 PolarHBondContact O-N 3.17Å; L62-Q64 VanDerWaalsContact O-N 3.1Å
65	V	90	Very high	85.6	Confident	64 Å²	64	58.2 Å²	58.2	39%	0.388	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-31.1	-175.2	179.8	0	0	0	0	112.5	A43 V44 H47 L62 G63	A43-V65 HydrophobicContact CB-CG1 3.91Å; V44-V65 HydrophobicContact CG2-CB 4.38Å; V44-V65 HydrophobicContact CG2-CG1 4.08Å; H47-V65 HydrophobicContact CB-CG2 3.66Å; L62-V65 PolarHBondContact O-N 3.12Å; L62-V65 VanDerWaalsContact O-N 3.1Å; G63-V65 PolarHBondContact O-N 3.35Å
66	D	87.8	Confident	85.9	Confident	50 Å²	50	54.6 Å²	54.6	27%	0.267	31%	0.31	S	S	.	.			trans	-133.9	113.4	175	-172.7	-21.2	0	0	0	109.9	V44 L62 G63 Q68 L69 S70	V44-D66 HydrophobicContact CG2-CB 4.1Å; L62-D66 PolarHBondContact O-N 3.23Å; L62-D66 VanDerWaalsContact O-N 3.08Å; G63-D66 WeakPolarHBondContact CA-O 3.4Å; D66-Q68 PolarHBondContact O-N 3.21Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.33Å; D66-Q68 PolarHBondContact OD1-N 2.93Å; D66-L69 HydrophobicContact CB-CB 4.18Å; D66-L69 HydrophobicContact CB-CD1 4.03Å; D66-L69 HydrophobicContact CB-CG 4Å; D66-L69 CarbonylContact O-C 3.53Å; D66-L69 WeakPolarHBondContact O-CA 3.36Å; D66-L69 PolarHBondContact O-N 2.85Å; D66-S70 PolarHBondContact O-N 3.34Å
67	A	87.1	Confident	86.4	Confident	80 Å²	80	55.5 Å²	55.5	66%	0.661	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-61.2	-27.1	-180	0	0	0	0	0	113.1	L69 S70	A67-L69 PolarHBondContact O-N 3.45Å; A67-S70 VanDerWaalsContact O-CB 3.26Å; A67-S70 WeakPolarHBondContact O-CB 3.36Å; A67-S70 PolarHBondContact O-N 2.82Å; A67-S70 PolarHBondContact O-OG 2.8Å
68	Q	87.8	Confident	86.8	Confident	169 Å²	169	49 Å²	49	79%	0.79	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-70.5	-21.2	173.7	-58.2	-168.4	-4.8	0	0	112.2	D66	D66-Q68 PolarHBondContact O-N 3.21Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.33Å; D66-Q68 PolarHBondContact OD1-N 2.93Å
69	L	89.1	Confident	87.4	Confident	31 Å²	31	51.6 Å²	51.6	16%	0.162	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-96	10.8	175.4	-56.3	-178.6	0	0	0	113.1	Y40 V44 L62 G63 D66 A67 P71 Y72	Y40-L69 HydrophobicContact CD1-CD1 4.12Å; Y40-L69 HydrophobicContact CE1-CD1 4.38Å; V44-L69 HydrophobicContact CG1-CD1 4.49Å; V44-L69 HydrophobicContact CG2-CD1 4.05Å; L62-L69 HydrophobicContact CB-CB 3.6Å; L62-L69 HydrophobicContact CB-CD1 4.24Å; L62-L69 HydrophobicContact CD1-CB 4.4Å; L62-L69 HydrophobicContact CD1-CD1 4.17Å; G63-L69 PolarHBondContact N-O 3.12Å; D66-L69 HydrophobicContact CB-CB 4.18Å; D66-L69 HydrophobicContact CB-CD1 4.03Å; D66-L69 HydrophobicContact CB-CG 4Å; D66-L69 CarbonylContact O-C 3.53Å; D66-L69 WeakPolarHBondContact O-CA 3.36Å; D66-L69 PolarHBondContact O-N 2.85Å; A67-L69 PolarHBondContact O-N 3.45Å; L69-P71 VanDerWaalsContact C-CD 3.44Å; L69-Y72 HydrophobicContact CB-CD2 4.37Å; L69-Y72 HydrophobicContact CD2-CD2 4.14Å; L69-Y72 HydrophobicContact CD2-CE2 4.35Å; L69-Y72 PolarHBondContact O-N 2.75Å
70	S	86.4	Confident	87.5	Confident	66 Å²	66	51.1 Å²	51.1	46%	0.462	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-39.8	178.2	50.7	0	0	0	0	116.6	D66 A67 Y72	D66-S70 PolarHBondContact O-N 3.34Å; A67-S70 VanDerWaalsContact O-CB 3.26Å; A67-S70 WeakPolarHBondContact O-CB 3.36Å; A67-S70 PolarHBondContact O-N 2.82Å; A67-S70 PolarHBondContact O-OG 2.8Å; S70-Y72 PolarHBondContact O-N 2.83Å
71	P	84.6	Confident	87.5	Confident	27 Å²	27	51.2 Å²	51.2	18%	0.175	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	4.2	178.6	33.8	-36.8	0	0	0	113.6	L69 R83 Q84	L69-P71 VanDerWaalsContact C-CD 3.44Å; P71-R83 HydrophobicContact CB-CG 4.09Å; P71-R83 HydrophobicContact CG-CG 4.33Å; P71-R83 CarbonylContact O-C 3.52Å; P71-R83 WeakPolarHBondContact O-CA 3.18Å; P71-Q84 PolarHBondContact O-N 3.27Å
72	Y	87.8	Confident	87.3	Confident	41 Å²	41	51.7 Å²	51.7	16%	0.161	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.8	-174.5	-60	-87	0	0	0	112.9	L62 L69 S70 Q81 F82 R83	L62-Y72 PolarHBondContact N-O 3.18Å; L62-Y72 VanDerWaalsContact N-O 3.14Å; L69-Y72 HydrophobicContact CB-CD2 4.37Å; L69-Y72 HydrophobicContact CD2-CD2 4.14Å; L69-Y72 HydrophobicContact CD2-CE2 4.35Å; L69-Y72 PolarHBondContact O-N 2.75Å; S70-Y72 PolarHBondContact O-N 2.83Å; Y72-Q81 HydrophobicContact CD1-CG 3.75Å; Y72-Q81 HydrophobicContact CG-CG 4.29Å; Y72-F82 WeakPolarHBondContact CA-O 3.46Å; Y72-R83 HydrophobicContact CD1-CB 3.79Å; Y72-R83 HydrophobicContact CD1-CG 3.7Å; Y72-R83 HydrophobicContact CE1-CB 3.75Å; Y72-R83 HydrophobicContact CE1-CG 3.49Å; Y72-R83 VanDerWaalsContact CE1-CG 3.49Å; Y72-R83 HydrophobicContact CE2-CG 4.47Å; Y72-R83 HydrophobicContact CG-CG 4.3Å
73	I	88.6	Confident	87.2	Confident	18 Å²	18	55 Å²	55	9%	0.092	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.8	169.1	-64.9	-171.8	0	0	0	108.7	V60 V61 Q81 F82	V60-I73 CarbonylContact O-C 3.6Å; V60-I73 VanDerWaalsContact O-CA 3.26Å; V60-I73 WeakPolarHBondContact O-CA 3.41Å; V60-I73 WeakPolarHBondContact O-CG2 3.22Å; V61-I73 HydrophobicContact CB-CG1 4.48Å; V61-I73 HydrophobicContact CG1-CG1 4.42Å; V61-I73 HydrophobicContact CG2-CD1 3.89Å; V61-I73 HydrophobicContact CG2-CG1 4.11Å; I73-Q81 CarbonylContact O-C 3.58Å; I73-Q81 WeakPolarHBondContact O-CA 3.32Å; I73-F82 HydrophobicContact CB-CD1 3.91Å; I73-F82 HydrophobicContact CB-CE1 3.45Å; I73-F82 VanDerWaalsContact CB-CE1 3.45Å; I73-F82 HydrophobicContact CB-CE2 4.14Å; I73-F82 HydrophobicContact CB-CG 4.45Å; I73-F82 HydrophobicContact CB-CZ 3.58Å; I73-F82 HydrophobicContact CD1-CE1 4.48Å; I73-F82 HydrophobicContact CD1-CE2 4.4Å; I73-F82 HydrophobicContact CD1-CZ 3.85Å; I73-F82 HydrophobicContact CG1-CE1 4.47Å; I73-F82 HydrophobicContact CG1-CZ 4.14Å; I73-F82 HydrophobicContact CG2-CD1 4.04Å; I73-F82 HydrophobicContact CG2-CE1 3.32Å; I73-F82 HydrophobicContact CG2-CZ 3.75Å; I73-F82 PolarHBondContact N-O 3.5Å; I73-F82 PolarHBondContact O-N 2.96Å
74	I	91.2	Very high	86.7	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123	166.9	-60.8	177.5	0	0	0	109	Y40 I48 S59 V60 L62 L76 H80 Q81 V92	Y40-I74 HydrophobicContact CE2-CD1 3.81Å; I48-I74 HydrophobicContact CD1-CD1 3.58Å; I48-I74 HydrophobicContact CG1-CD1 4.12Å; S59-I74 CarbonylContact C-O 3.54Å; S59-I74 VanDerWaalsContact CA-O 3.29Å; S59-I74 WeakPolarHBondContact CA-O 3.49Å; V60-I74 HydrophobicContact CB-CB 4.3Å; V60-I74 PolarHBondContact N-O 3.43Å; V60-I74 PolarHBondContact O-N 3.42Å; L62-I74 HydrophobicContact CD1-CD1 4.14Å; L62-I74 HydrophobicContact CD1-CG1 4.06Å; L62-I74 HydrophobicContact CD2-CD1 3.83Å; L62-I74 HydrophobicContact CD2-CG1 4.03Å; L62-I74 HydrophobicContact CG-CD1 4.46Å; L62-I74 HydrophobicContact CG-CG1 4.27Å; I74-L76 HydrophobicContact CG2-CD2 4Å; I74-H80 WeakPolarHBondContact CA-O 3.45Å; I74-Q81 HydrophobicContact CG1-CB 4.25Å; I74-Q81 HydrophobicContact CG1-CG 4.5Å; I74-V92 HydrophobicContact CD1-CG1 4.19Å; I74-V92 HydrophobicContact CG1-CG1 4.37Å; I74-V92 HydrophobicContact CG2-CG2 3.71Å
75	D	86.4	Confident	85.7	Confident	38 Å²	38	57.4 Å²	57.4	20%	0.203	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	113.5	163.8	168	20.5	0	0	0	109.1	Q77 S78 M79 H80	D75-Q77 VanDerWaalsContact C-N 3.28Å; D75-Q77 PolarHBondContact O-N 3.14Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.45Å; D75-Q77 VanDerWaalsContact OD1-CB 3.32Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.24Å; D75-Q77 PolarHBondContact OD1-N 3.38Å; D75-S78 VanDerWaalsContact CG-OG 3.27Å; D75-S78 PolarHBondContact OD1-N 2.9Å; D75-S78 WeakPolarHBondContact OD2-CB 3.26Å; D75-S78 PolarHBondContact OD2-N 2.82Å; D75-S78 VanDerWaalsContact OD2-N 3.11Å; D75-S78 PolarHBondContact OD2-OG 2.8Å; D75-M79 WeakPolarHBondContact O-CA 3.48Å; D75-M79 PolarHBondContact O-N 3.09Å; D75-H80 PolarHBondContact N-O 3.04Å; D75-H80 PolarHBondContact O-N 3.38Å
76	L	85.7	Confident	84.8	Confident	9 Å²	9	57.9 Å²	57.9	5%	0.047	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-21.4	179.9	-59.4	174.1	0	0	0	112.3	W28 I48 V51 L52 G58 V60 I74	W28-L76 HydrophobicContact CH2-CD2 3.75Å; W28-L76 HydrophobicContact CZ2-CD2 4.36Å; W28-L76 HydrophobicContact CZ3-CD2 4.26Å; I48-L76 HydrophobicContact CG2-CD2 4.03Å; V51-L76 HydrophobicContact CG1-CD1 4.24Å; L52-L76 HydrophobicContact CB-CD1 4.33Å; L52-L76 HydrophobicContact CD1-CD1 4.02Å; L52-L76 HydrophobicContact CD1-CD2 4.39Å; G58-L76 VanDerWaalsContact O-CB 3.31Å; G58-L76 WeakPolarHBondContact O-CB 3.42Å; G58-L76 WeakPolarHBondContact O-CG 3.38Å; G58-L76 PolarHBondContact O-N 3.47Å; G58-L76 VanDerWaalsContact O-N 3.13Å; V60-L76 HydrophobicContact CG2-CD1 3.72Å; V60-L76 HydrophobicContact CG2-CD2 3.94Å; V60-L76 HydrophobicContact CG2-CG 3.84Å; I74-L76 HydrophobicContact CG2-CD2 4Å
77	Q	82.5	Confident	84	Confident	86 Å²	86	58.1 Å²	58.1	40%	0.402	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-41.1	178.3	-177.9	57.1	97.4	0	0	111.8	D75	D75-Q77 VanDerWaalsContact C-N 3.28Å; D75-Q77 PolarHBondContact O-N 3.14Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.45Å; D75-Q77 VanDerWaalsContact OD1-CB 3.32Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.24Å; D75-Q77 PolarHBondContact OD1-N 3.38Å
78	S	82.4	Confident	83.5	Confident	50 Å²	50	57.3 Å²	57.3	35%	0.35	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-13.5	173.6	68.6	0	0	0	0	114.3	D75 H80	D75-S78 VanDerWaalsContact CG-OG 3.27Å; D75-S78 PolarHBondContact OD1-N 2.9Å; D75-S78 WeakPolarHBondContact OD2-CB 3.26Å; D75-S78 PolarHBondContact OD2-N 2.82Å; D75-S78 VanDerWaalsContact OD2-N 3.11Å; D75-S78 PolarHBondContact OD2-OG 2.8Å; S78-H80 VanDerWaalsContact C-N 3.35Å; S78-H80 PolarHBondContact O-CE1 3.28Å; S78-H80 PolarHBondContact O-ND1 3.05Å
79	M	88.9	Confident	83.2	Confident	64 Å²	64	54.2 Å²	54.2	32%	0.315	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	44.9	-171.6	-66.1	-72.3	-65.9	0	0	112.6	W28 D75 V92 R94	W28-M79 HydrophobicContact CE3-CE 4.45Å; W28-M79 HydrophobicContact CH2-CE 3.75Å; W28-M79 HydrophobicContact CH2-SD 3.78Å; W28-M79 HydrophobicContact CZ3-CE 3.45Å; W28-M79 VanDerWaalsContact CZ3-CE 3.45Å; W28-M79 HydrophobicContact CZ3-SD 3.83Å; D75-M79 WeakPolarHBondContact O-CA 3.48Å; D75-M79 PolarHBondContact O-N 3.09Å; M79-V92 HydrophobicContact CB-CG2 4.39Å; M79-V92 HydrophobicContact CE-CG2 4.43Å; M79-V92 WeakPolarHBondContact O-CG2 3.27Å; M79-V92 PolarHBondContact O-N 3.48Å; M79-R94 HydrophobicContact CE-CB 4.4Å
80	H	89.6	Confident	83.1	Confident	61 Å²	61	54.7 Å²	54.7	28%	0.282	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.2	173.7	-69.4	70.5	0	0	0	111.7	I74 D75 S78 M89 R90	I74-H80 WeakPolarHBondContact CA-O 3.45Å; D75-H80 PolarHBondContact N-O 3.04Å; D75-H80 PolarHBondContact O-N 3.38Å; S78-H80 VanDerWaalsContact C-N 3.35Å; S78-H80 PolarHBondContact O-CE1 3.28Å; S78-H80 PolarHBondContact O-ND1 3.05Å; H80-M89 HydrophobicContact CB-CE 3.54Å; H80-R90 CarbonylContact C-O 3.58Å; H80-R90 WeakPolarHBondContact CA-O 3.34Å
81	Q	90	Very high	83.4	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.019	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	126.9	158.7	-177.9	-171.3	57.1	0	0	107.9	Y40 Y72 I73 I74 M89 R90 V92	Y40-Q81 VanDerWaalsContact OH-CD 3.31Å; Y40-Q81 PolarHBondContact OH-NE2 2.96Å; Y72-Q81 HydrophobicContact CD1-CG 3.75Å; Y72-Q81 HydrophobicContact CG-CG 4.29Å; I73-Q81 CarbonylContact O-C 3.58Å; I73-Q81 WeakPolarHBondContact O-CA 3.32Å; I74-Q81 HydrophobicContact CG1-CB 4.25Å; I74-Q81 HydrophobicContact CG1-CG 4.5Å; Q81-M89 CarbonylContact O-C 3.51Å; Q81-M89 WeakPolarHBondContact O-CA 3.39Å; Q81-R90 PolarHBondContact N-O 2.79Å; Q81-R90 PolarHBondContact O-N 3.46Å; Q81-V92 HydrophobicContact CB-CG1 3.77Å
82	F	85.3	Confident	83.8	Confident	60 Å²	60	52.8 Å²	52.8	26%	0.263	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.4	167.6	76	-95.8	0	0	0	110.4	Y72 I73 Q84 M89	Y72-F82 WeakPolarHBondContact CA-O 3.46Å; I73-F82 HydrophobicContact CB-CD1 3.91Å; I73-F82 HydrophobicContact CB-CE1 3.45Å; I73-F82 VanDerWaalsContact CB-CE1 3.45Å; I73-F82 HydrophobicContact CB-CE2 4.14Å; I73-F82 HydrophobicContact CB-CG 4.45Å; I73-F82 HydrophobicContact CB-CZ 3.58Å; I73-F82 HydrophobicContact CD1-CE1 4.48Å; I73-F82 HydrophobicContact CD1-CE2 4.4Å; I73-F82 HydrophobicContact CD1-CZ 3.85Å; I73-F82 HydrophobicContact CG1-CE1 4.47Å; I73-F82 HydrophobicContact CG1-CZ 4.14Å; I73-F82 HydrophobicContact CG2-CD1 4.04Å; I73-F82 HydrophobicContact CG2-CE1 3.32Å; I73-F82 HydrophobicContact CG2-CZ 3.75Å; I73-F82 PolarHBondContact N-O 3.5Å; I73-F82 PolarHBondContact O-N 2.96Å; F82-Q84 HydrophobicContact CD2-CG 4.35Å; F82-Q84 HydrophobicContact CE2-CG 3.91Å; F82-M89 HydrophobicContact CB-CE 3.72Å; F82-M89 HydrophobicContact CB-SD 3.34Å; F82-M89 WeakPolarHBondContact CB-SD 3.14Å
83	R	86.8	Confident	84	Confident	71 Å²	71	53.2 Å²	53.2	27%	0.268	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.6	172.5	-157.5	-173.6	162.8	-147.6	-6.9	109.4	P71 Y72 D85 T86 G87 T88	P71-R83 HydrophobicContact CB-CG 4.09Å; P71-R83 HydrophobicContact CG-CG 4.33Å; P71-R83 CarbonylContact O-C 3.52Å; P71-R83 WeakPolarHBondContact O-CA 3.18Å; Y72-R83 HydrophobicContact CD1-CB 3.79Å; Y72-R83 HydrophobicContact CD1-CG 3.7Å; Y72-R83 HydrophobicContact CE1-CB 3.75Å; Y72-R83 HydrophobicContact CE1-CG 3.49Å; Y72-R83 VanDerWaalsContact CE1-CG 3.49Å; Y72-R83 HydrophobicContact CE2-CG 4.47Å; Y72-R83 HydrophobicContact CG-CG 4.3Å; R83-D85 WeakPolarHBondContact CD-OD1 3.47Å; R83-D85 WeakPolarHBondContact CG-OD1 3.43Å; R83-D85 IonicContact CZ-OD1 3.78Å; R83-D85 IonicContact CZ-OD2 3.27Å; R83-D85 IonicContact NE-OD1 3.65Å; R83-D85 PolarHBondContact NE-OD1 3.14Å; R83-D85 IonicContact NE-OD2 3.24Å; R83-D85 PolarHBondContact NE-OD2 3Å; R83-D85 IonicContact NH1-OD1 2.91Å; R83-D85 IonicContact NH2-OD1 2.72Å; R83-D85 PolarHBondContact NH2-OD1 3.22Å; R83-D85 IonicContact NH2-OD2 2.96Å; R83-D85 PolarHBondContact NH2-OD2 2.86Å; R83-D85 PolarHBondContact O-N 3.5Å; R83-T86 WeakPolarHBondContact CD-OG1 3.38Å; R83-T86 PolarHBondContact NH1-OG1 3.08Å; R83-G87 VanDerWaalsContact O-CA 3.29Å; R83-G87 WeakPolarHBondContact O-CA 3.35Å; R83-G87 PolarHBondContact O-N 2.83Å; R83-T88 WeakPolarHBondContact CB-OG1 3.23Å; R83-T88 PolarHBondContact N-O 2.82Å; R83-T88 VanDerWaalsContact N-O 3.07Å
84	Q	75.5	Confident	84.2	Confident	119 Å²	119	54.1 Å²	54.1	56%	0.556	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.2	-169.3	-68.4	-178.4	-27.7	0	0	114.1	P71 F82	P71-Q84 PolarHBondContact O-N 3.27Å; F82-Q84 HydrophobicContact CD2-CG 4.35Å; F82-Q84 HydrophobicContact CE2-CG 3.91Å
85	D	65.3	Low	84.2	Confident	97 Å²	97	54.7 Å²	54.7	52%	0.519	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-35.3	-174	56.4	2	0	0	0	113.5	R83	R83-D85 WeakPolarHBondContact CD-OD1 3.47Å; R83-D85 WeakPolarHBondContact CG-OD1 3.43Å; R83-D85 IonicContact CZ-OD1 3.78Å; R83-D85 IonicContact CZ-OD2 3.27Å; R83-D85 IonicContact NE-OD1 3.65Å; R83-D85 PolarHBondContact NE-OD1 3.14Å; R83-D85 IonicContact NE-OD2 3.24Å; R83-D85 PolarHBondContact NE-OD2 3Å; R83-D85 IonicContact NH1-OD1 2.91Å; R83-D85 IonicContact NH2-OD1 2.72Å; R83-D85 PolarHBondContact NH2-OD1 3.22Å; R83-D85 IonicContact NH2-OD2 2.96Å; R83-D85 PolarHBondContact NH2-OD2 2.86Å; R83-D85 PolarHBondContact O-N 3.5Å
86	T	71.6	Confident	84.4	Confident	75 Å²	75	54 Å²	54	46%	0.46	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-3.2	-179.6	58.5	0	0	0	0	114.4	R83 T88	R83-T86 WeakPolarHBondContact CD-OG1 3.38Å; R83-T86 PolarHBondContact NH1-OG1 3.08Å; T86-T88 PolarHBondContact O-N 3.48Å; T86-T88 WeakPolarHBondContact OG1-CG2 3.4Å; T86-T88 PolarHBondContact OG1-OG1 3.26Å
87	G	72.5	Confident	84.7	Confident	54 Å²	54	54.7 Å²	54.7	56%	0.557	29%	0.287	S	S	*	.			trans	63.3	9.7	-177.7	0	0	0	0	0	114.7	R83 M89	R83-G87 VanDerWaalsContact O-CA 3.29Å; R83-G87 WeakPolarHBondContact O-CA 3.35Å; R83-G87 PolarHBondContact O-N 2.83Å; G87-M89 PolarHBondContact O-N 2.82Å
88	T	75.6	Confident	84.9	Confident	64 Å²	64	55.3 Å²	55.3	39%	0.393	29%	0.29	S	S	.	.			trans	-73.7	120.1	-174.5	49.5	0	0	0	0	110.5	R83 T86	R83-T88 WeakPolarHBondContact CB-OG1 3.23Å; R83-T88 PolarHBondContact N-O 2.82Å; R83-T88 VanDerWaalsContact N-O 3.07Å; T86-T88 PolarHBondContact O-N 3.48Å; T86-T88 WeakPolarHBondContact OG1-CG2 3.4Å; T86-T88 PolarHBondContact OG1-OG1 3.26Å
89	M	81.6	Confident	85.3	Confident	103 Å²	103	55.6 Å²	55.6	51%	0.507	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.1	174.2	-52.6	-61.3	-62.2	0	0	110.5	H80 Q81 F82 G87	H80-M89 HydrophobicContact CB-CE 3.54Å; Q81-M89 CarbonylContact O-C 3.51Å; Q81-M89 WeakPolarHBondContact O-CA 3.39Å; F82-M89 HydrophobicContact CB-CE 3.72Å; F82-M89 HydrophobicContact CB-SD 3.34Å; F82-M89 WeakPolarHBondContact CB-SD 3.14Å; G87-M89 PolarHBondContact O-N 2.82Å
90	R	86.9	Confident	85.3	Confident	41 Å²	41	55.8 Å²	55.8	16%	0.155	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	129.7	170.2	-69.9	-178.7	177.9	162.8	0.7	109.4	E33 H80 Q81 V92	E33-R90 IonicContact OE1-CZ 2.89Å; E33-R90 IonicContact OE1-NH2 3.68Å; E33-R90 PolarHBondContact OE1-NH2 3.07Å; H80-R90 CarbonylContact C-O 3.58Å; H80-R90 WeakPolarHBondContact CA-O 3.34Å; Q81-R90 PolarHBondContact N-O 2.79Å; Q81-R90 PolarHBondContact O-N 3.46Å; R90-V92 PolarHBondContact O-N 3.36Å
91	P	92.1	Very high	85.4	Confident	47 Å²	47	53.7 Å²	53.7	31%	0.305	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	139.6	172.9	-27	34.9	0	0	0	111.7	L31 W37	L31-P91 HydrophobicContact CB-CB 4.23Å; L31-P91 HydrophobicContact CB-CG 4.45Å; L31-P91 HydrophobicContact CD2-CB 4.5Å; L31-P91 HydrophobicContact CD2-CG 4.1Å; L31-P91 PolarHBondContact N-O 3.25Å; W37-P91 HydrophobicContact CH2-CB 3.9Å; W37-P91 WeakPolarHBondContact CZ3-O 3.46Å
92	V	94.1	Very high	85.5	Confident	7 Å²	7	53.6 Å²	53.6	4%	0.042	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.3	166	-64.8	0	0	0	0	110.4	W28 E29 W30 Y40 I74 M79 Q81 R90	W28-V92 HydrophobicContact CE3-CB 4.48Å; W28-V92 HydrophobicContact CE3-CG2 4.39Å; W28-V92 HydrophobicContact CZ3-CG2 4.06Å; E29-V92 CarbonylContact O-C 3.55Å; E29-V92 VanDerWaalsContact O-CA 3.23Å; E29-V92 WeakPolarHBondContact O-CA 3.29Å; W30-V92 HydrophobicContact CB-CG1 4.02Å; Y40-V92 HydrophobicContact CE2-CG1 4.03Å; Y40-V92 WeakPolarHBondContact OH-CG1 3.26Å; I74-V92 HydrophobicContact CD1-CG1 4.19Å; I74-V92 HydrophobicContact CG1-CG1 4.37Å; I74-V92 HydrophobicContact CG2-CG2 3.71Å; M79-V92 HydrophobicContact CB-CG2 4.39Å; M79-V92 HydrophobicContact CE-CG2 4.43Å; M79-V92 WeakPolarHBondContact O-CG2 3.27Å; M79-V92 PolarHBondContact O-N 3.48Å; Q81-V92 HydrophobicContact CB-CG1 3.77Å; R90-V92 PolarHBondContact O-N 3.36Å
93	Q	91.9	Very high	85.8	Confident	50 Å²	50	50.7 Å²	50.7	23%	0.234	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.9	172.6	72.8	179.9	6.5	0	0	111.6	W28 E29 W37	W28-Q93 WeakPolarHBondContact CA-O 3.46Å; E29-Q93 HydrophobicContact CB-CG 4.01Å; E29-Q93 PolarHBondContact N-O 3.08Å; E29-Q93 PolarHBondContact O-N 2.84Å; E29-Q93 PolarHBondContact OE2-NE2 3.46Å; W37-Q93 HydrophobicContact CD2-CG 3.93Å; W37-Q93 VanDerWaalsContact CE2-CD 3.42Å; W37-Q93 HydrophobicContact CE3-CB 4.45Å; W37-Q93 HydrophobicContact CE3-CG 3.66Å; W37-Q93 HydrophobicContact CH2-CB 3.83Å; W37-Q93 HydrophobicContact CH2-CG 3.87Å; W37-Q93 HydrophobicContact CZ2-CB 4.32Å; W37-Q93 HydrophobicContact CZ2-CG 4.13Å; W37-Q93 HydrophobicContact CZ3-CB 3.91Å; W37-Q93 HydrophobicContact CZ3-CG 3.63Å
94	R	91.8	Very high	86	Confident	36 Å²	36	48.3 Å²	48.3	14%	0.136	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	102.9	175.2	-174.1	-175.4	-172.9	-143	0.7	108	V26 W28 E49 M79 F96	V26-R94 HydrophobicContact CG1-CG 3.44Å; V26-R94 VanDerWaalsContact CG1-CG 3.44Å; W28-R94 HydrophobicContact CD2-CB 4.15Å; W28-R94 HydrophobicContact CD2-CG 4.33Å; W28-R94 HydrophobicContact CE3-CB 4.29Å; W28-R94 HydrophobicContact CH2-CB 4.05Å; W28-R94 HydrophobicContact CZ2-CB 3.86Å; W28-R94 HydrophobicContact CZ2-CG 3.82Å; W28-R94 HydrophobicContact CZ3-CB 4.26Å; E49-R94 VanDerWaalsContact CD-NH2 3.34Å; E49-R94 IonicContact OE1-CZ 3.18Å; E49-R94 IonicContact OE1-NE 2.81Å; E49-R94 PolarHBondContact OE1-NE 3.16Å; E49-R94 IonicContact OE1-NH2 3.63Å; E49-R94 PolarHBondContact OE1-NH2 3.22Å; E49-R94 IonicContact OE2-CZ 2.99Å; E49-R94 IonicContact OE2-NE 2.63Å; E49-R94 IonicContact OE2-NH2 2.69Å; E49-R94 PolarHBondContact OE2-NH2 3.42Å; M79-R94 HydrophobicContact CE-CB 4.4Å; R94-F96 HydrophobicContact CG-CE1 4.49Å; R94-F96 HydrophobicContact CG-CZ 4.02Å; R94-F96 WeakPolarHBondContact O-CE2 3.46Å
95	N	91.7	Very high	86.8	Confident	13 Å²	13	46.6 Å²	46.6	7%	0.07	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	156.4	-175.5	-158	8.1	0	0	0	111.7	V26 V27 E29 Y97 R223	V26-N95 WeakPolarHBondContact CA-O 3.48Å; V27-N95 PolarHBondContact N-O 3.15Å; V27-N95 PolarHBondContact O-N 3.43Å; E29-N95 PolarHBondContact OE2-ND2 2.88Å; N95-Y97 HydrophobicContact CB-CE2 3.95Å; N95-Y97 PolarHBondContact ND2-OH 2.95Å; N95-R223 PolarHBondContact OD1-NH2 2.9Å
96	F	91.1	Very high	88.1	Confident	23 Å²	23	42 Å²	42	10%	0.101	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	124.6	-168.5	-58.2	-82.7	0	0	0	111.5	R24 V25 V26 R94 I180 Q188	R24-F96 HydrophobicContact CB-CB 4.48Å; R24-F96 HydrophobicContact CB-CD1 4.42Å; V25-F96 WeakPolarHBondContact O-CA 3.45Å; V26-F96 HydrophobicContact CG1-CE1 4.26Å; V26-F96 HydrophobicContact CG2-CD1 3.99Å; V26-F96 HydrophobicContact CG2-CE1 3.86Å; R94-F96 HydrophobicContact CG-CE1 4.49Å; R94-F96 HydrophobicContact CG-CZ 4.02Å; R94-F96 WeakPolarHBondContact O-CE2 3.46Å; F96-I180 HydrophobicContact CD1-CD1 4.02Å; F96-I180 HydrophobicContact CE1-CD1 3.61Å; F96-Q188 HydrophobicContact CE2-CB 4.42Å; F96-Q188 HydrophobicContact CZ-CG 4.44Å
97	Y	90.9	Very high	89.2	Confident	23 Å²	23	38.5 Å²	38.5	9%	0.09	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	168.9	-176.4	-65.1	-88.2	0	0	0	111.2	R24 V25 V27 E29 N95 P103 M123 E124 V127	R24-Y97 WeakPolarHBondContact CD-O 3.42Å; V25-Y97 PolarHBondContact N-O 2.82Å; V25-Y97 PolarHBondContact O-N 2.64Å; V27-Y97 HydrophobicContact CB-CD2 4.01Å; V27-Y97 HydrophobicContact CB-CE2 3.81Å; V27-Y97 HydrophobicContact CG2-CD2 3.57Å; V27-Y97 HydrophobicContact CG2-CE2 3.79Å; E29-Y97 PolarHBondContact OE1-OH 3.28Å; E29-Y97 VanDerWaalsContact OE1-OH 3.05Å; N95-Y97 HydrophobicContact CB-CE2 3.95Å; N95-Y97 PolarHBondContact ND2-OH 2.95Å; Y97-P103 HydrophobicContact CD1-CG 4.42Å; Y97-P103 HydrophobicContact CD2-CG 4.28Å; Y97-P103 HydrophobicContact CG-CG 3.9Å; Y97-M123 HydrophobicContact CD1-CG 4.46Å; Y97-M123 HydrophobicContact CD2-CG 4.28Å; Y97-M123 HydrophobicContact CE1-CG 3.88Å; Y97-M123 HydrophobicContact CE2-CB 4.39Å; Y97-M123 HydrophobicContact CE2-CG 3.67Å; Y97-M123 VanDerWaalsContact CZ-CG 3.45Å; Y97-E124 HydrophobicContact CE1-CG 4.35Å; Y97-V127 HydrophobicContact CD1-CG2 4.04Å; Y97-V127 HydrophobicContact CE1-CG2 4.29Å
98	E	87.6	Confident	90.3	Very high	100 Å²	100	36.4 Å²	36.4	47%	0.467	20%	0.196	S	C	.	.			trans	-81.2	145	177	-73.6	-172.1	174.3	0	0	112.3	R24 S100 S101	R24-E98 IonicContact NH1-OE1 3.3Å; R24-E98 PolarHBondContact NH1-OE1 3.26Å; E98-S100 WeakPolarHBondContact CB-OG 3.43Å; E98-S100 PolarHBondContact O-N 2.69Å; E98-S100 VanDerWaalsContact O-N 3.16Å; E98-S101 VanDerWaalsContact O-CB 3.32Å; E98-S101 WeakPolarHBondContact O-CB 3.46Å; E98-S101 PolarHBondContact O-N 3.41Å; E98-S101 PolarHBondContact O-OG 2.77Å
99	P	90.6	Very high	91.2	Very high	56 Å²	56	33.3 Å²	33.3	36%	0.364	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-28.6	174.8	-25.3	35.5	0	0	0	113.9	A23 V25 S101 L179	A23-P99 HydrophobicContact CB-CG 4.18Å; A23-P99 WeakPolarHBondContact O-CD 3.36Å; A23-P99 VanDerWaalsContact O-CG 3.3Å; A23-P99 WeakPolarHBondContact O-CG 3.33Å; V25-P99 HydrophobicContact CG2-CB 4.4Å; V25-P99 HydrophobicContact CG2-CG 4.49Å; P99-S101 VanDerWaalsContact C-N 3.31Å; P99-S101 PolarHBondContact O-N 3.09Å; P99-L179 HydrophobicContact CB-CD1 4.17Å; P99-L179 HydrophobicContact CG-CD1 3.88Å
100	S	88.1	Confident	91.8	Very high	68 Å²	68	28.9 Å²	28.9	48%	0.476	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.3	175.6	53.9	0	0	0	0	114.6	E98 K105	E98-S100 WeakPolarHBondContact CB-OG 3.43Å; E98-S100 PolarHBondContact O-N 2.69Å; E98-S100 VanDerWaalsContact O-N 3.16Å; S100-K105 WeakPolarHBondContact O-CD 3.47Å; S100-K105 WeakPolarHBondContact O-CE 3.18Å; S100-K105 PolarHBondContact O-NZ 3.45Å
101	S	91.8	Very high	92.2	Very high	16 Å²	16	29 Å²	29	11%	0.112	16%	0.156	C	C	.	.	S	Bend	trans	-86	170.7	-174.7	73.6	0	0	0	0	112.8	E98 P99 P103 G104 K105	E98-S101 VanDerWaalsContact O-CB 3.32Å; E98-S101 WeakPolarHBondContact O-CB 3.46Å; E98-S101 PolarHBondContact O-N 3.41Å; E98-S101 PolarHBondContact O-OG 2.77Å; P99-S101 VanDerWaalsContact C-N 3.31Å; P99-S101 PolarHBondContact O-N 3.09Å; S101-P103 WeakPolarHBondContact OG-CD 3.49Å; S101-G104 PolarHBondContact O-N 3.2Å; S101-K105 PolarHBondContact O-N 2.74Å
102	A	92.1	Very high	92.3	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-52.1	-179	0	0	0	0	0	114.9	G104 K105 G106 V107 V127 Q130	A102-G104 VanDerWaalsContact C-N 3.31Å; A102-G104 PolarHBondContact O-N 2.97Å; A102-K105 CarbonylContact O-C 3.55Å; A102-K105 PolarHBondContact O-N 2.91Å; A102-G106 PolarHBondContact O-N 3.2Å; A102-V107 HydrophobicContact CB-CB 4.33Å; A102-V107 PolarHBondContact O-N 2.95Å; A102-V127 HydrophobicContact CB-CG2 4.12Å; A102-Q130 HydrophobicContact CB-CB 3.86Å; A102-Q130 HydrophobicContact CB-CG 4.14Å
103	P	93.3	Very high	92	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-30.8	179.1	24.7	-34.7	0	0	0	113.8	V25 V27 Y97 S101 G106 M123 V127 Y177	V25-P103 HydrophobicContact CG1-CB 3.96Å; V25-P103 HydrophobicContact CG1-CG 4.33Å; V27-P103 HydrophobicContact CG2-CB 3.74Å; V27-P103 HydrophobicContact CG2-CG 4.14Å; Y97-P103 HydrophobicContact CD1-CG 4.42Å; Y97-P103 HydrophobicContact CD2-CG 4.28Å; Y97-P103 HydrophobicContact CG-CG 3.9Å; S101-P103 WeakPolarHBondContact OG-CD 3.49Å; P103-G106 PolarHBondContact O-N 2.75Å; P103-M123 HydrophobicContact CB-CE 4.08Å; P103-M123 HydrophobicContact CB-SD 3.78Å; P103-M123 HydrophobicContact CG-CG 4.38Å; P103-M123 HydrophobicContact CG-SD 3.76Å; P103-V127 HydrophobicContact CG-CG2 4.43Å; P103-Y177 HydrophobicContact CB-CD2 3.53Å; P103-Y177 HydrophobicContact CB-CE2 4.14Å; P103-Y177 HydrophobicContact CB-CG 3.92Å; P103-Y177 PolarHBondContact O-N 3.44Å
104	G	90.8	Very high	91.5	Very high	21 Å²	21	31.8 Å²	31.8	22%	0.216	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-32.1	175.7	0	0	0	0	0	113.5	S101 A102 G106	S101-G104 PolarHBondContact O-N 3.2Å; A102-G104 VanDerWaalsContact C-N 3.31Å; A102-G104 PolarHBondContact O-N 2.97Å; G104-G106 VanDerWaalsContact C-N 3.29Å
105	K	91.9	Very high	91.1	Very high	82 Å²	82	36.6 Å²	36.6	36%	0.357	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	0.1	173.3	-69.5	167.7	168.4	158.7	0	113.7	S100 S101 A102 V107 E134 M173	S100-K105 WeakPolarHBondContact O-CD 3.47Å; S100-K105 WeakPolarHBondContact O-CE 3.18Å; S100-K105 PolarHBondContact O-NZ 3.45Å; S101-K105 PolarHBondContact O-N 2.74Å; A102-K105 CarbonylContact O-C 3.55Å; A102-K105 PolarHBondContact O-N 2.91Å; K105-V107 HydrophobicContact CB-CG2 3.78Å; K105-V107 PolarHBondContact O-N 3.43Å; K105-E134 IonicContact NZ-OE1 2.71Å; K105-E134 PolarHBondContact NZ-OE1 3.25Å; K105-E134 IonicContact NZ-OE2 3.78Å; K105-E134 PolarHBondContact NZ-OE2 2.91Å; K105-M173 WeakPolarHBondContact O-CE 3.36Å
106	G	92.3	Very high	90.9	Very high	1 Å²	1	38 Å²	38	1%	0.01	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	26.4	-173.1	0	0	0	0	0	113.7	A102 P103 G104 D174	A102-G106 PolarHBondContact O-N 3.2Å; P103-G106 PolarHBondContact O-N 2.75Å; G104-G106 VanDerWaalsContact C-N 3.29Å; G106-D174 WeakPolarHBondContact CA-O 3.47Å; G106-D174 PolarHBondContact O-N 2.9Å
107	V	94.4	Very high	90.8	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.2	-179	-174.4	0	0	0	0	110.4	A102 K105 R171 M173	A102-V107 HydrophobicContact CB-CB 4.33Å; A102-V107 PolarHBondContact O-N 2.95Å; K105-V107 HydrophobicContact CB-CG2 3.78Å; K105-V107 PolarHBondContact O-N 3.43Å; V107-R171 HydrophobicContact CG1-CG 3.73Å; V107-M173 HydrophobicContact CG2-CE 3.99Å; V107-M173 HydrophobicContact CG2-SD 3.87Å
108	V	94.8	Very high	90.8	Very high	9 Å²	9	41.7 Å²	41.7	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.2	173.8	-170.2	0	0	0	0	109.1	E110 P120 R172 D174	V108-E110 HydrophobicContact CG1-CG 3.78Å; V108-P120 HydrophobicContact CG1-CB 4.06Å; V108-R172 PolarHBondContact N-O 3.37Å; V108-R172 PolarHBondContact O-N 2.66Å; V108-D174 HydrophobicContact CG2-CB 3.86Å
109	W	94.8	Very high	91	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.3	171	-75.7	91.8	0	0	0	109.7	P120 Y121 I129 Y133 F153 M156 L169 R171	W109-P120 WeakPolarHBondContact O-CA 3.33Å; W109-Y121 HydrophobicContact CB-CD2 4.02Å; W109-Y121 WeakPolarHBondContact O-CD2 3.48Å; W109-Y121 PolarHBondContact O-N 2.86Å; W109-I129 HydrophobicContact CB-CD1 4.21Å; W109-I129 HydrophobicContact CD2-CB 4.3Å; W109-I129 HydrophobicContact CD2-CG2 3.41Å; W109-I129 VanDerWaalsContact CD2-CG2 3.41Å; W109-I129 VanDerWaalsContact CE2-CG2 3.5Å; W109-I129 HydrophobicContact CE3-CG2 3.74Å; W109-I129 HydrophobicContact CG-CB 4.15Å; W109-I129 HydrophobicContact CG-CG2 3.77Å; W109-I129 HydrophobicContact CH2-CG2 4.14Å; W109-I129 HydrophobicContact CZ2-CG2 3.87Å; W109-I129 HydrophobicContact CZ3-CG2 4.09Å; W109-Y133 AromaticContact CH2-CD2 3.66Å; W109-Y133 HydrophobicContact CH2-CD2 3.66Å; W109-Y133 HydrophobicContact CH2-CE2 4.1Å; W109-Y133 AromaticContact CH2-CG 3.96Å; W109-Y133 HydrophobicContact CH2-CG 3.96Å; W109-Y133 HydrophobicContact CZ2-CD1 4.19Å; W109-Y133 AromaticContact CZ2-CD2 3.9Å; W109-Y133 HydrophobicContact CZ2-CD2 3.9Å; W109-Y133 AromaticContact CZ2-CG 3.69Å; W109-Y133 HydrophobicContact CZ2-CG 3.69Å; W109-F153 HydrophobicContact CH2-CD1 4.1Å; W109-F153 AromaticContact CH2-CE1 3.95Å; W109-F153 HydrophobicContact CH2-CE1 3.95Å; W109-F153 HydrophobicContact CZ2-CE1 4.38Å; W109-F153 HydrophobicContact CZ3-CE1 4.41Å; W109-M156 HydrophobicContact CH2-CE 4.33Å; W109-M156 HydrophobicContact CZ3-CE 3.85Å; W109-M156 HydrophobicContact CZ3-SD 4.31Å; W109-L169 HydrophobicContact CE3-CD1 3.96Å; W109-L169 HydrophobicContact CE3-CD2 4.01Å; W109-L169 HydrophobicContact CE3-CG 3.84Å; W109-L169 HydrophobicContact CZ3-CD1 4.45Å; W109-L169 HydrophobicContact CZ3-CD2 3.69Å; W109-L169 HydrophobicContact CZ3-CG 3.85Å; W109-R171 HydrophobicContact CD2-CB 4.08Å; W109-R171 HydrophobicContact CD2-CG 4.31Å; W109-R171 HydrophobicContact CE3-CB 3.96Å; W109-R171 HydrophobicContact CH2-CB 3.77Å; W109-R171 HydrophobicContact CH2-CG 4.27Å; W109-R171 HydrophobicContact CZ2-CB 3.85Å; W109-R171 HydrophobicContact CZ2-CG 3.83Å; W109-R171 HydrophobicContact CZ3-CB 3.82Å
110	E	95.1	Very high	91	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	149.7	-171.7	-56.1	175.1	152.2	0	0	110.5	V108 W118 T119 P120 R170 R172	V108-E110 HydrophobicContact CG1-CG 3.78Å; E110-W118 HydrophobicContact CB-CB 4.37Å; E110-W118 HydrophobicContact CB-CE3 4.16Å; E110-T119 CarbonylContact C-O 3.57Å; E110-T119 VanDerWaalsContact CA-O 3.3Å; E110-T119 WeakPolarHBondContact CA-O 3.2Å; E110-P120 HydrophobicContact CG-CB 4.27Å; E110-R170 HydrophobicContact CB-CG 4.04Å; E110-R170 PolarHBondContact N-O 2.73Å; E110-R170 PolarHBondContact O-N 2.7Å; E110-R170 IonicContact OE2-CZ 2.66Å; E110-R170 IonicContact OE2-NE 3.16Å; E110-R170 PolarHBondContact OE2-NE 3.46Å; E110-R170 IonicContact OE2-NH2 3.7Å; E110-R170 PolarHBondContact OE2-NH2 3Å; E110-R172 VanDerWaalsContact CD-NE 3.32Å; E110-R172 IonicContact OE1-CZ 2.65Å; E110-R172 VanDerWaalsContact OE1-CZ 3.27Å; E110-R172 IonicContact OE1-NE 3.78Å; E110-R172 PolarHBondContact OE1-NE 3.12Å; E110-R172 IonicContact OE1-NH2 3.77Å; E110-R172 PolarHBondContact OE1-NH2 2.89Å; E110-R172 IonicContact OE2-NE 3.47Å; E110-R172 PolarHBondContact OE2-NE 3.46Å
111	W	94.1	Very high	91.2	Very high	43 Å²	43	34.8 Å²	34.8	16%	0.163	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.5	177.6	60.2	-85.8	0	0	0	111.8	N113 W118 T119 Y121 Q158 R168	W111-N113 HydrophobicContact CE3-CB 4.39Å; W111-N113 HydrophobicContact CH2-CB 4.24Å; W111-N113 HydrophobicContact CZ3-CB 3.76Å; W111-W118 WeakPolarHBondContact O-CA 3.11Å; W111-T119 HydrophobicContact CZ2-CG2 3.85Å; W111-T119 PolarHBondContact N-O 3.17Å; W111-T119 PolarHBondContact NE1-O 2.83Å; W111-T119 PolarHBondContact O-N 3.37Å; W111-Y121 HydrophobicContact CB-CE2 4.02Å; W111-Y121 AromaticContact CD1-CD2 4Å; W111-Y121 AromaticContact CD1-CE1 3.75Å; W111-Y121 AromaticContact CD1-CE2 3.67Å; W111-Y121 AromaticContact CD1-CZ 3.56Å; W111-Y121 HydrophobicContact CG-CE1 4.47Å; W111-Y121 HydrophobicContact CG-CE2 4.23Å; W111-Q158 VanDerWaalsContact CB-NE2 3.27Å; W111-Q158 VanDerWaalsContact CD2-NE2 3.33Å; W111-Q158 VanDerWaalsContact CG-NE2 3.27Å; W111-R168 WeakPolarHBondContact CA-O 3.47Å
112	E	94.5	Very high	91.2	Very high	40 Å²	40	34.7 Å²	34.7	19%	0.187	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.2	-177.8	-166.5	167.6	-130.4	0	0	111.4	W118 R167 R168	E112-W118 HydrophobicContact CB-CD2 4.25Å; E112-W118 HydrophobicContact CB-CE3 4.16Å; E112-W118 HydrophobicContact CB-CH2 3.94Å; E112-W118 HydrophobicContact CB-CZ2 3.99Å; E112-W118 HydrophobicContact CB-CZ3 4Å; E112-W118 HydrophobicContact CG-CZ2 4.22Å; E112-R167 WeakPolarHBondContact O-CD 3.32Å; E112-R167 PolarHBondContact O-NH1 2.69Å; E112-R167 VanDerWaalsContact O-NH1 3.17Å; E112-R168 HydrophobicContact CB-CB 4.18Å; E112-R168 PolarHBondContact N-O 3.36Å; E112-R168 IonicContact OE1-NH1 3.28Å; E112-R168 PolarHBondContact OE1-NH1 2.94Å; E112-R168 WeakPolarHBondContact OE2-CB 3.43Å; E112-R168 VanDerWaalsContact OE2-CD 3.25Å; E112-R168 WeakPolarHBondContact OE2-CD 2.84Å; E112-R168 IonicContact OE2-CZ 3.5Å; E112-R168 IonicContact OE2-NE 3.05Å; E112-R168 IonicContact OE2-NH1 2.72Å; E112-R168 PolarHBondContact OE2-NH1 2.78Å
113	N	88.6	Confident	91.1	Very high	29 Å²	29	34.8 Å²	34.8	16%	0.155	20%	0.197	C	C	.	.			trans	-83.1	-177.9	178.1	70.3	26	0	0	0	112.2	W111 N115 G116 S117 R167	W111-N113 HydrophobicContact CE3-CB 4.39Å; W111-N113 HydrophobicContact CH2-CB 4.24Å; W111-N113 HydrophobicContact CZ3-CB 3.76Å; N113-N115 PolarHBondContact O-N 3Å; N113-N115 WeakPolarHBondContact OD1-CA 3.32Å; N113-N115 VanDerWaalsContact OD1-CB 3.25Å; N113-N115 WeakPolarHBondContact OD1-CB 3.32Å; N113-N115 PolarHBondContact OD1-N 3.29Å; N113-N115 PolarHBondContact OD1-OD1 3.45Å; N113-G116 PolarHBondContact O-N 2.88Å; N113-G116 PolarHBondContact OD1-N 3.4Å; N113-S117 PolarHBondContact N-O 2.78Å; N113-S117 PolarHBondContact ND2-O 3.47Å; N113-S117 PolarHBondContact ND2-OG 3.02Å; N113-S117 PolarHBondContact OD1-N 2.97Å; N113-S117 PolarHBondContact OD1-O 2.96Å; N113-S117 VanDerWaalsContact OD1-O 3.1Å; N113-S117 PolarHBondContact OD1-OG 3.39Å; N113-R167 VanDerWaalsContact C-NH1 3.29Å
114	D	81.6	Confident	91	Very high	93 Å²	93	40.7 Å²	40.7	50%	0.497	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-12.7	-176.6	-67.9	-27.8	0	0	0	113.8	R165 R167	D114-R165 VanDerWaalsContact CG-NH2 3.35Å; D114-R165 IonicContact OD1-CZ 3.78Å; D114-R165 IonicContact OD1-NH1 2.67Å; D114-R165 PolarHBondContact OD1-NH1 3.31Å; D114-R165 IonicContact OD1-NH2 3.54Å; D114-R165 PolarHBondContact OD1-NH2 3.46Å; D114-R165 IonicContact OD2-CZ 3.42Å; D114-R165 IonicContact OD2-NH1 3.31Å; D114-R165 PolarHBondContact OD2-NH1 3.3Å; D114-R165 IonicContact OD2-NH2 2.69Å; D114-R167 IonicContact OD1-CZ 3.52Å; D114-R167 IonicContact OD1-NH1 3.13Å; D114-R167 PolarHBondContact OD1-NH1 3.36Å; D114-R167 IonicContact OD1-NH2 3.92Å; D114-R167 PolarHBondContact OD1-NH2 2.84Å; D114-R167 IonicContact OD2-CZ 2.69Å; D114-R167 IonicContact OD2-NH1 2.75Å; D114-R167 IonicContact OD2-NH2 3.73Å; D114-R167 PolarHBondContact OD2-NH2 2.88Å
115	N	83.3	Confident	91	Very high	137 Å²	137	40 Å²	40	73%	0.733	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	1.8	-175.7	-37.8	47.9	0	0	0	111	N113 S117	N113-N115 PolarHBondContact O-N 3Å; N113-N115 WeakPolarHBondContact OD1-CA 3.32Å; N113-N115 VanDerWaalsContact OD1-CB 3.25Å; N113-N115 WeakPolarHBondContact OD1-CB 3.32Å; N113-N115 PolarHBondContact OD1-N 3.29Å; N113-N115 PolarHBondContact OD1-OD1 3.45Å; N115-S117 PolarHBondContact O-N 3.03Å
116	G	86.2	Confident	91	Very high	44 Å²	44	36.1 Å²	36.1	45%	0.454	20%	0.199	S	C	.	.	S	Bend	trans	74.4	4.4	-173.4	0	0	0	0	0	114.9	N113	N113-G116 PolarHBondContact O-N 2.88Å; N113-G116 PolarHBondContact OD1-N 3.4Å
117	S	90.2	Very high	91	Very high	62 Å²	62	37.8 Å²	37.8	43%	0.434	21%	0.209	S	C	.	.			trans	-95.8	154.1	177.2	62.3	0	0	0	0	112.2	N113 N115	N113-S117 PolarHBondContact N-O 2.78Å; N113-S117 PolarHBondContact ND2-O 3.47Å; N113-S117 PolarHBondContact ND2-OG 3.02Å; N113-S117 PolarHBondContact OD1-N 2.97Å; N113-S117 PolarHBondContact OD1-O 2.96Å; N113-S117 VanDerWaalsContact OD1-O 3.1Å; N113-S117 PolarHBondContact OD1-OG 3.39Å; N115-S117 PolarHBondContact O-N 3.03Å
118	W	91.6	Very high	91	Very high	60 Å²	60	39.8 Å²	39.8	23%	0.227	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.6	-170	-69.9	83.4	0	0	0	110.7	E110 W111 E112 R168 R170	E110-W118 HydrophobicContact CB-CB 4.37Å; E110-W118 HydrophobicContact CB-CE3 4.16Å; W111-W118 WeakPolarHBondContact O-CA 3.11Å; E112-W118 HydrophobicContact CB-CD2 4.25Å; E112-W118 HydrophobicContact CB-CE3 4.16Å; E112-W118 HydrophobicContact CB-CH2 3.94Å; E112-W118 HydrophobicContact CB-CZ2 3.99Å; E112-W118 HydrophobicContact CB-CZ3 4Å; E112-W118 HydrophobicContact CG-CZ2 4.22Å; W118-R168 HydrophobicContact CH2-CB 3.82Å; W118-R170 VanDerWaalsContact CD1-NH1 3.3Å; W118-R170 HydrophobicContact CD2-CG 4.15Å; W118-R170 HydrophobicContact CE3-CB 4.25Å; W118-R170 VanDerWaalsContact CE3-CD 3.45Å; W118-R170 HydrophobicContact CE3-CG 3.51Å; W118-R170 HydrophobicContact CH2-CB 3.98Å; W118-R170 HydrophobicContact CH2-CG 4.1Å; W118-R170 HydrophobicContact CZ3-CB 3.7Å; W118-R170 HydrophobicContact CZ3-CG 3.49Å; W118-R170 VanDerWaalsContact CZ3-CG 3.49Å
119	T	90.2	Very high	90.9	Very high	31 Å²	31	39.4 Å²	39.4	19%	0.19	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.1	-176.8	-55.9	0	0	0	0	109.6	E110 W111	E110-T119 CarbonylContact C-O 3.57Å; E110-T119 VanDerWaalsContact CA-O 3.3Å; E110-T119 WeakPolarHBondContact CA-O 3.2Å; W111-T119 HydrophobicContact CZ2-CG2 3.85Å; W111-T119 PolarHBondContact N-O 3.17Å; W111-T119 PolarHBondContact NE1-O 2.83Å; W111-T119 PolarHBondContact O-N 3.37Å
120	P	91.8	Very high	90.9	Very high	44 Å²	44	39.5 Å²	39.5	29%	0.286	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	151	176	27.8	-34.3	0	0	0	112.2	R38 V108 W109 E110	R38-P120 PolarHBondContact NH1-O 2.66Å; V108-P120 HydrophobicContact CG1-CB 4.06Å; W109-P120 WeakPolarHBondContact O-CA 3.33Å; E110-P120 HydrophobicContact CG-CB 4.27Å
121	Y	91.6	Very high	90.8	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.016	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-74.3	161.3	164.8	-70.1	-85.6	0	0	0	111.3	W109 W111 I125 I129 L142 Q158 L169	W109-Y121 HydrophobicContact CB-CD2 4.02Å; W109-Y121 WeakPolarHBondContact O-CD2 3.48Å; W109-Y121 PolarHBondContact O-N 2.86Å; W111-Y121 HydrophobicContact CB-CE2 4.02Å; W111-Y121 AromaticContact CD1-CD2 4Å; W111-Y121 AromaticContact CD1-CE1 3.75Å; W111-Y121 AromaticContact CD1-CE2 3.67Å; W111-Y121 AromaticContact CD1-CZ 3.56Å; W111-Y121 HydrophobicContact CG-CE1 4.47Å; W111-Y121 HydrophobicContact CG-CE2 4.23Å; Y121-I125 HydrophobicContact CD1-CG2 3.75Å; Y121-I125 HydrophobicContact CG-CG2 3.95Å; Y121-I129 HydrophobicContact CD1-CD1 4.38Å; Y121-I129 HydrophobicContact CD2-CD1 3.79Å; Y121-I129 HydrophobicContact CE2-CD1 3.96Å; Y121-I129 HydrophobicContact CG-CD1 4.01Å; Y121-L142 HydrophobicContact CE1-CD1 4.5Å; Y121-Q158 PolarHBondContact OH-OE1 2.81Å; Y121-L169 HydrophobicContact CE2-CD1 3.45Å; Y121-L169 VanDerWaalsContact CE2-CD1 3.45Å
122	D	91	Very high	90.7	Very high	15 Å²	15	41 Å²	41	8%	0.08	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-59.9	146	170.4	-54.6	-9.4	0	0	0	108.9	R36 R38 E124 I125 C126 F147	R36-D122 IonicContact NE-OD2 3.7Å; R36-D122 PolarHBondContact NE-OD2 3.25Å; R38-D122 WeakPolarHBondContact CD-OD1 3.14Å; R38-D122 IonicContact CZ-OD1 2.65Å; R38-D122 IonicContact NE-OD1 2.75Å; R38-D122 PolarHBondContact NE-OD1 2.7Å; R38-D122 IonicContact NH1-OD1 2.64Å; R38-D122 PolarHBondContact NH1-OD1 3.21Å; D122-E124 PolarHBondContact O-N 2.97Å; D122-I125 HydrophobicContact CB-CG1 4.37Å; D122-I125 WeakPolarHBondContact O-CA 3.39Å; D122-I125 WeakPolarHBondContact O-CB 3.48Å; D122-I125 PolarHBondContact O-N 3.24Å; D122-C126 PolarHBondContact O-N 3.39Å; D122-F147 HydrophobicContact CB-CZ 4.41Å; D122-F147 VanDerWaalsContact OD2-CZ 3.3Å; D122-F147 WeakPolarHBondContact OD2-CZ 3.25Å
123	M	91.9	Very high	90.6	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.02	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-38	-164.7	-174.9	55.4	70	0	0	113.8	V27 E29 P39 Y97 P103 I125 C126 V127 Y177	V27-M123 HydrophobicContact CG1-CE 3.84Å; V27-M123 HydrophobicContact CG1-CG 4.25Å; V27-M123 HydrophobicContact CG2-CE 4.03Å; V27-M123 HydrophobicContact CG2-CG 4.14Å; V27-M123 HydrophobicContact CG2-SD 4.46Å; E29-M123 VanDerWaalsContact OE1-CB 3.3Å; E29-M123 WeakPolarHBondContact OE1-CB 3.36Å; P39-M123 HydrophobicContact CB-CB 4.41Å; P39-M123 HydrophobicContact CB-CE 3.8Å; P39-M123 HydrophobicContact CG-CB 4.48Å; P39-M123 HydrophobicContact CG-CE 4.14Å; Y97-M123 HydrophobicContact CD1-CG 4.46Å; Y97-M123 HydrophobicContact CD2-CG 4.28Å; Y97-M123 HydrophobicContact CE1-CG 3.88Å; Y97-M123 HydrophobicContact CE2-CB 4.39Å; Y97-M123 HydrophobicContact CE2-CG 3.67Å; Y97-M123 VanDerWaalsContact CZ-CG 3.45Å; P103-M123 HydrophobicContact CB-CE 4.08Å; P103-M123 HydrophobicContact CB-SD 3.78Å; P103-M123 HydrophobicContact CG-CG 4.38Å; P103-M123 HydrophobicContact CG-SD 3.76Å; M123-I125 PolarHBondContact O-N 2.95Å; M123-C126 WeakPolarHBondContact O-CB 3.49Å; M123-C126 PolarHBondContact O-N 3.25Å; M123-C126 HydrophobicContact SD-CB 4.18Å; M123-V127 WeakPolarHBondContact O-CG2 3.29Å; M123-V127 PolarHBondContact O-N 2.86Å; M123-Y177 HydrophobicContact CE-CD2 4.47Å; M123-Y177 HydrophobicContact CE-CE1 4.2Å; M123-Y177 HydrophobicContact CE-CE2 3.73Å
124	E	89.6	Confident	90.8	Very high	124 Å²	124	46.5 Å²	46.5	58%	0.579	25%	0.253	S	S	*	.	H	α-helix	trans	-60.8	-32.5	173.6	-64	-170.7	157.1	0	0	112.3	Y97 D122 T128	Y97-E124 HydrophobicContact CE1-CG 4.35Å; D122-E124 PolarHBondContact O-N 2.97Å; E124-T128 WeakPolarHBondContact O-CB 3.44Å; E124-T128 PolarHBondContact O-N 2.93Å; E124-T128 PolarHBondContact O-OG1 2.76Å
125	I	91.2	Very high	91.4	Very high	6 Å²	6	48 Å²	48	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-74.9	-42.4	175.3	-57.9	-52.2	0	0	0	110.7	Y121 D122 M123 V127 T128 I129 L142 L145 F147	Y121-I125 HydrophobicContact CD1-CG2 3.75Å; Y121-I125 HydrophobicContact CG-CG2 3.95Å; D122-I125 HydrophobicContact CB-CG1 4.37Å; D122-I125 WeakPolarHBondContact O-CA 3.39Å; D122-I125 WeakPolarHBondContact O-CB 3.48Å; D122-I125 PolarHBondContact O-N 3.24Å; M123-I125 PolarHBondContact O-N 2.95Å; I125-V127 VanDerWaalsContact C-N 3.27Å; I125-V127 PolarHBondContact O-N 3.33Å; I125-T128 PolarHBondContact O-N 3.06Å; I125-T128 VanDerWaalsContact O-N 3.11Å; I125-I129 HydrophobicContact CG2-CD1 3.56Å; I125-I129 HydrophobicContact CG2-CG1 3.98Å; I125-I129 WeakPolarHBondContact O-CB 3.47Å; I125-I129 WeakPolarHBondContact O-CG1 3.44Å; I125-I129 PolarHBondContact O-N 2.86Å; I125-L142 HydrophobicContact CG2-CD1 3.77Å; I125-L142 HydrophobicContact CG2-CD2 4.22Å; I125-L145 HydrophobicContact CD1-CB 3.87Å; I125-L145 HydrophobicContact CD1-CD1 3.49Å; I125-L145 VanDerWaalsContact CD1-CD1 3.49Å; I125-L145 HydrophobicContact CD1-CG 4.31Å; I125-F147 HydrophobicContact CD1-CD2 3.93Å; I125-F147 HydrophobicContact CD1-CE2 3.47Å; I125-F147 VanDerWaalsContact CD1-CE2 3.47Å; I125-F147 HydrophobicContact CD1-CZ 3.95Å; I125-F147 HydrophobicContact CG1-CD2 4.22Å; I125-F147 HydrophobicContact CG1-CE1 4.08Å; I125-F147 HydrophobicContact CG1-CE2 3.48Å; I125-F147 VanDerWaalsContact CG1-CE2 3.48Å; I125-F147 HydrophobicContact CG1-CZ 3.38Å
126	C	92.4	Very high	91.9	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-54.2	-43.8	170.5	-75.4	0	0	0	0	112.1	D122 M123 Q130	D122-C126 PolarHBondContact O-N 3.39Å; M123-C126 WeakPolarHBondContact O-CB 3.49Å; M123-C126 PolarHBondContact O-N 3.25Å; M123-C126 HydrophobicContact SD-CB 4.18Å; C126-Q130 VanDerWaalsContact O-CB 3.27Å; C126-Q130 WeakPolarHBondContact O-CB 3.22Å; C126-Q130 PolarHBondContact O-N 2.8Å
127	V	92.8	Very high	92.2	Very high	36 Å²	36	52.2 Å²	52.2	22%	0.218	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-43.9	175.1	173.2	0	0	0	0	111.7	Y97 A102 P103 M123 I125 Q130 N131	Y97-V127 HydrophobicContact CD1-CG2 4.04Å; Y97-V127 HydrophobicContact CE1-CG2 4.29Å; A102-V127 HydrophobicContact CB-CG2 4.12Å; P103-V127 HydrophobicContact CG-CG2 4.43Å; M123-V127 WeakPolarHBondContact O-CG2 3.29Å; M123-V127 PolarHBondContact O-N 2.86Å; I125-V127 VanDerWaalsContact C-N 3.27Å; I125-V127 PolarHBondContact O-N 3.33Å; V127-Q130 PolarHBondContact O-N 3.27Å; V127-N131 WeakPolarHBondContact O-CB 3.08Å; V127-N131 PolarHBondContact O-N 2.83Å
128	T	93	Very high	92.2	Very high	44 Å²	44	52.4 Å²	52.4	27%	0.27	26%	0.258	S	S	.	.	H	α-helix	trans	-65.9	-46.9	179.9	-54.4	0	0	0	0	112	E124 I125 Q130 N131 A132 L140 L145	E124-T128 WeakPolarHBondContact O-CB 3.44Å; E124-T128 PolarHBondContact O-N 2.93Å; E124-T128 PolarHBondContact O-OG1 2.76Å; I125-T128 PolarHBondContact O-N 3.06Å; I125-T128 VanDerWaalsContact O-N 3.11Å; T128-Q130 VanDerWaalsContact C-N 3.34Å; T128-Q130 PolarHBondContact O-N 3.36Å; T128-N131 PolarHBondContact O-N 2.79Å; T128-A132 WeakPolarHBondContact O-CB 3.46Å; T128-A132 PolarHBondContact O-N 2.99Å; T128-L140 HydrophobicContact CG2-CD1 4.39Å; T128-L140 HydrophobicContact CG2-CD2 4.03Å; T128-L145 HydrophobicContact CG2-CD1 3.92Å
129	I	93.2	Very high	92.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-46.3	176.8	-62.6	168.8	0	0	0	109.8	W109 Y121 I125 N131 A132 Y133 L140 I151 F153	W109-I129 HydrophobicContact CB-CD1 4.21Å; W109-I129 HydrophobicContact CD2-CB 4.3Å; W109-I129 HydrophobicContact CD2-CG2 3.41Å; W109-I129 VanDerWaalsContact CD2-CG2 3.41Å; W109-I129 VanDerWaalsContact CE2-CG2 3.5Å; W109-I129 HydrophobicContact CE3-CG2 3.74Å; W109-I129 HydrophobicContact CG-CB 4.15Å; W109-I129 HydrophobicContact CG-CG2 3.77Å; W109-I129 HydrophobicContact CH2-CG2 4.14Å; W109-I129 HydrophobicContact CZ2-CG2 3.87Å; W109-I129 HydrophobicContact CZ3-CG2 4.09Å; Y121-I129 HydrophobicContact CD1-CD1 4.38Å; Y121-I129 HydrophobicContact CD2-CD1 3.79Å; Y121-I129 HydrophobicContact CE2-CD1 3.96Å; Y121-I129 HydrophobicContact CG-CD1 4.01Å; I125-I129 HydrophobicContact CG2-CD1 3.56Å; I125-I129 HydrophobicContact CG2-CG1 3.98Å; I125-I129 WeakPolarHBondContact O-CB 3.47Å; I125-I129 WeakPolarHBondContact O-CG1 3.44Å; I125-I129 PolarHBondContact O-N 2.86Å; I129-N131 PolarHBondContact O-N 3.13Å; I129-A132 PolarHBondContact O-N 3.3Å; I129-Y133 WeakPolarHBondContact O-CB 3.2Å; I129-Y133 PolarHBondContact O-N 2.96Å; I129-L140 HydrophobicContact CB-CD2 4.4Å; I129-L140 HydrophobicContact CG1-CD2 3.96Å; I129-I151 HydrophobicContact CD1-CD1 3.38Å; I129-I151 HydrophobicContact CG1-CD1 3.59Å; I129-I151 HydrophobicContact CG2-CD1 4.41Å; I129-F153 HydrophobicContact CG2-CE1 3.58Å; I129-F153 HydrophobicContact CG2-CZ 3.88Å
130	Q	94.5	Very high	92.4	Very high	3 Å²	3	56.7 Å²	56.7	1%	0.014	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-41.4	179.4	-175	58.7	20.4	0	0	112.6	A102 C126 V127 T128 A132 Y133 E134 R171	A102-Q130 HydrophobicContact CB-CB 3.86Å; A102-Q130 HydrophobicContact CB-CG 4.14Å; C126-Q130 VanDerWaalsContact O-CB 3.27Å; C126-Q130 WeakPolarHBondContact O-CB 3.22Å; C126-Q130 PolarHBondContact O-N 2.8Å; V127-Q130 PolarHBondContact O-N 3.27Å; T128-Q130 VanDerWaalsContact C-N 3.34Å; T128-Q130 PolarHBondContact O-N 3.36Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; Q130-Y133 PolarHBondContact O-N 3.4Å; Q130-E134 HydrophobicContact CG-CG 4.44Å; Q130-E134 PolarHBondContact NE2-OE1 3.48Å; Q130-E134 WeakPolarHBondContact O-CB 3.04Å; Q130-E134 VanDerWaalsContact O-CG 3.31Å; Q130-E134 WeakPolarHBondContact O-CG 3.21Å; Q130-E134 PolarHBondContact O-N 2.71Å; Q130-R171 VanDerWaalsContact OE1-NE 3.17Å
131	N	92.9	Very high	92.3	Very high	74 Å²	74	56.3 Å²	56.3	40%	0.396	27%	0.269	S	S	.	.	H	α-helix	trans	-63.7	-40.3	176.1	-173.8	8.6	0	0	0	111.4	V127 T128 I129 K135	V127-N131 WeakPolarHBondContact O-CB 3.08Å; V127-N131 PolarHBondContact O-N 2.83Å; T128-N131 PolarHBondContact O-N 2.79Å; I129-N131 PolarHBondContact O-N 3.13Å; N131-K135 WeakPolarHBondContact O-CB 3.16Å; N131-K135 WeakPolarHBondContact O-CG 3.29Å; N131-K135 PolarHBondContact O-N 3.37Å; N131-K135 VanDerWaalsContact O-N 3.16Å; N131-K135 WeakPolarHBondContact OD1-CE 3.2Å; N131-K135 PolarHBondContact OD1-NZ 3.16Å; N131-K135 VanDerWaalsContact OD1-NZ 3.1Å
132	A	92.3	Very high	92.1	Very high	9 Å²	9	56.1 Å²	56.1	7%	0.074	27%	0.268	C	S	.	.	H	α-helix	trans	-68.1	-40.5	177.1	0	0	0	0	0	112.5	T128 I129 Q130 K135 Q136 H137 L140 F153	T128-A132 WeakPolarHBondContact O-CB 3.46Å; T128-A132 PolarHBondContact O-N 2.99Å; I129-A132 PolarHBondContact O-N 3.3Å; Q130-A132 VanDerWaalsContact C-N 3.35Å; A132-K135 PolarHBondContact O-N 3.1Å; A132-Q136 PolarHBondContact O-N 3.38Å; A132-H137 PolarHBondContact O-N 2.93Å; A132-H137 VanDerWaalsContact O-N 3.1Å; A132-L140 HydrophobicContact CB-CB 4.32Å; A132-L140 HydrophobicContact CB-CD1 4.26Å; A132-L140 HydrophobicContact CB-CD2 3.93Å; A132-L140 HydrophobicContact CB-CG 4.41Å; A132-F153 HydrophobicContact CB-CE2 3.97Å; A132-F153 HydrophobicContact CB-CZ 3.94Å
133	Y	93.9	Very high	91.7	Very high	95 Å²	95	58.9 Å²	58.9	37%	0.373	29%	0.286	S	S	.	.	H	α-helix	trans	-65.2	-44.1	175.5	-177.5	-94.1	0	0	0	112.4	W109 I129 Q130 K135 Q136 F153	W109-Y133 AromaticContact CH2-CD2 3.66Å; W109-Y133 HydrophobicContact CH2-CD2 3.66Å; W109-Y133 HydrophobicContact CH2-CE2 4.1Å; W109-Y133 AromaticContact CH2-CG 3.96Å; W109-Y133 HydrophobicContact CH2-CG 3.96Å; W109-Y133 HydrophobicContact CZ2-CD1 4.19Å; W109-Y133 AromaticContact CZ2-CD2 3.9Å; W109-Y133 HydrophobicContact CZ2-CD2 3.9Å; W109-Y133 AromaticContact CZ2-CG 3.69Å; W109-Y133 HydrophobicContact CZ2-CG 3.69Å; I129-Y133 WeakPolarHBondContact O-CB 3.2Å; I129-Y133 PolarHBondContact O-N 2.96Å; Q130-Y133 PolarHBondContact O-N 3.4Å; Y133-K135 PolarHBondContact O-N 3.24Å; Y133-Q136 PolarHBondContact O-N 3.28Å; Y133-F153 AromaticContact CD2-CD1 3.66Å; Y133-F153 HydrophobicContact CD2-CD1 3.66Å; Y133-F153 HydrophobicContact CD2-CE1 4.08Å; Y133-F153 HydrophobicContact CD2-CG 4.29Å; Y133-F153 HydrophobicContact CG-CD1 4.47Å; Y133-F153 HydrophobicContact CG-CE1 4.48Å
134	E	92.6	Very high	90.8	Very high	90 Å²	90	63.8 Å²	63.8	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-63.7	-30	176.3	-76	176.6	-175.2	0	0	112.5	K105 Q130 Q136	K105-E134 IonicContact NZ-OE1 2.71Å; K105-E134 PolarHBondContact NZ-OE1 3.25Å; K105-E134 IonicContact NZ-OE2 3.78Å; K105-E134 PolarHBondContact NZ-OE2 2.91Å; Q130-E134 HydrophobicContact CG-CG 4.44Å; Q130-E134 PolarHBondContact NE2-OE1 3.48Å; Q130-E134 WeakPolarHBondContact O-CB 3.04Å; Q130-E134 VanDerWaalsContact O-CG 3.31Å; Q130-E134 WeakPolarHBondContact O-CG 3.21Å; Q130-E134 PolarHBondContact O-N 2.71Å; E134-Q136 VanDerWaalsContact C-N 3.26Å; E134-Q136 PolarHBondContact O-N 3.04Å
135	K	92.6	Very high	90.1	Very high	124 Å²	124	61.7 Å²	61.7	54%	0.539	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	4.2	172.6	-72.1	172.6	177.8	169.6	0	114.3	N131 A132 Y133 H137	N131-K135 WeakPolarHBondContact O-CB 3.16Å; N131-K135 WeakPolarHBondContact O-CG 3.29Å; N131-K135 PolarHBondContact O-N 3.37Å; N131-K135 VanDerWaalsContact O-N 3.16Å; N131-K135 WeakPolarHBondContact OD1-CE 3.2Å; N131-K135 PolarHBondContact OD1-NZ 3.16Å; N131-K135 VanDerWaalsContact OD1-NZ 3.1Å; A132-K135 PolarHBondContact O-N 3.1Å; Y133-K135 PolarHBondContact O-N 3.24Å; K135-H137 PolarHBondContact O-N 2.71Å
136	Q	94.1	Very high	89.4	Confident	175 Å²	175	63.9 Å²	63.9	82%	0.818	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	32.9	-179.9	-55	-179.6	-5	0	0	113.6	A132 Y133 E134	A132-Q136 PolarHBondContact O-N 3.38Å; Y133-Q136 PolarHBondContact O-N 3.28Å; E134-Q136 VanDerWaalsContact C-N 3.26Å; E134-Q136 PolarHBondContact O-N 3.04Å
137	H	92.4	Very high	88.7	Confident	96 Å²	96	65.1 Å²	65.1	44%	0.444	34%	0.342	S	S	.	.			trans	-65.9	138.8	170.1	-71.4	-69.1	0	0	0	109.8	A132 K135 W139 F153	A132-H137 PolarHBondContact O-N 2.93Å; A132-H137 VanDerWaalsContact O-N 3.1Å; K135-H137 PolarHBondContact O-N 2.71Å; H137-W139 VanDerWaalsContact C-N 3.33Å; H137-W139 PolarHBondContact O-N 2.6Å; H137-F153 WeakPolarHBondContact O-CD2 3.26Å
138	P	90.6	Very high	88.3	Confident	65 Å²	65	64.9 Å²	64.9	42%	0.422	34%	0.342	S	S	.	.	S	Bend	trans	-71.8	-28	-179.3	27	-33.9	0	0	0	112.8	F153	P138-F153 PolarHBondContact O-N 3.45Å
139	W	92.8	Very high	88	Confident	150 Å²	150	65.5 Å²	65.5	57%	0.568	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.9	164.8	179.5	57.1	-96.7	0	0	0	111.2	H137 D141 L150 I151	H137-W139 VanDerWaalsContact C-N 3.33Å; H137-W139 PolarHBondContact O-N 2.6Å; W139-D141 HydrophobicContact CE3-CB 4.45Å; W139-D141 HydrophobicContact CZ3-CB 4.03Å; W139-L150 HydrophobicContact CB-CD1 4.4Å; W139-L150 HydrophobicContact CD2-CD1 4.26Å; W139-L150 HydrophobicContact CE3-CD1 3.64Å; W139-L150 HydrophobicContact CZ3-CD1 4.33Å; W139-I151 CarbonylContact C-O 3.55Å; W139-I151 WeakPolarHBondContact CA-O 3.43Å; W139-I151 WeakPolarHBondContact CB-O 3.4Å
140	L	93.3	Very high	87.9	Confident	31 Å²	31	68 Å²	68	16%	0.162	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	123.7	175.8	173.3	65.7	0	0	0	110.2	T128 I129 A132 L142 I151 F153	T128-L140 HydrophobicContact CG2-CD1 4.39Å; T128-L140 HydrophobicContact CG2-CD2 4.03Å; I129-L140 HydrophobicContact CB-CD2 4.4Å; I129-L140 HydrophobicContact CG1-CD2 3.96Å; A132-L140 HydrophobicContact CB-CB 4.32Å; A132-L140 HydrophobicContact CB-CD1 4.26Å; A132-L140 HydrophobicContact CB-CD2 3.93Å; A132-L140 HydrophobicContact CB-CG 4.41Å; L140-L142 HydrophobicContact CD2-CD2 3.65Å; L140-L142 HydrophobicContact CG-CD2 3.85Å; L140-I151 HydrophobicContact CB-CB 4.38Å; L140-I151 PolarHBondContact N-O 3.28Å; L140-I151 PolarHBondContact O-N 2.82Å; L140-F153 HydrophobicContact CB-CE2 3.77Å; L140-F153 HydrophobicContact CB-CZ 4.1Å; L140-F153 HydrophobicContact CD2-CZ 4.44Å
141	D	90.1	Very high	88	Confident	36 Å²	36	67.8 Å²	67.8	19%	0.193	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.3	172.6	-169.2	-14.5	0	0	0	110.4	W139 T143 L150 R161	W139-D141 HydrophobicContact CE3-CB 4.45Å; W139-D141 HydrophobicContact CZ3-CB 4.03Å; D141-T143 VanDerWaalsContact C-N 3.34Å; D141-T143 WeakPolarHBondContact OD1-CB 3.25Å; D141-T143 PolarHBondContact OD1-N 2.98Å; D141-T143 PolarHBondContact OD1-OG1 3.08Å; D141-L150 HydrophobicContact CB-CD1 4.03Å; D141-R161 IonicContact OD2-CZ 2.66Å; D141-R161 IonicContact OD2-NH1 3.37Å; D141-R161 PolarHBondContact OD2-NH1 3Å
142	L	86.8	Confident	88	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.345	C	S	.	.			trans	-89.5	3.9	179.5	-57	179.9	0	0	0	113.4	Y121 I125 L140 S144 L145 G146 F147 Y149 I151	Y121-L142 HydrophobicContact CE1-CD1 4.5Å; I125-L142 HydrophobicContact CG2-CD1 3.77Å; I125-L142 HydrophobicContact CG2-CD2 4.22Å; L140-L142 HydrophobicContact CD2-CD2 3.65Å; L140-L142 HydrophobicContact CG-CD2 3.85Å; L142-S144 VanDerWaalsContact C-N 3.26Å; L142-S144 PolarHBondContact O-N 2.96Å; L142-L145 HydrophobicContact CD2-CD1 4.34Å; L142-L145 CarbonylContact O-C 3.59Å; L142-L145 WeakPolarHBondContact O-CA 3.33Å; L142-L145 PolarHBondContact O-N 3.11Å; L142-G146 PolarHBondContact O-N 2.82Å; L142-F147 CarbonylContact C-O 3.56Å; L142-F147 HydrophobicContact CB-CB 3.7Å; L142-F147 HydrophobicContact CB-CG 4.41Å; L142-F147 HydrophobicContact CD1-CB 4.48Å; L142-F147 PolarHBondContact O-N 3.34Å; L142-F147 VanDerWaalsContact O-N 3.16Å; L142-Y149 PolarHBondContact N-O 2.99Å; L142-I151 HydrophobicContact CD1-CD1 3.79Å; L142-I151 HydrophobicContact CG-CD1 4.33Å
143	T	82.2	Confident	88.1	Confident	74 Å²	74	66.8 Å²	66.8	45%	0.454	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-60.7	-35.9	-177.6	-57.2	0	0	0	0	112	D141 L145 G146 F147	D141-T143 VanDerWaalsContact C-N 3.34Å; D141-T143 WeakPolarHBondContact OD1-CB 3.25Å; D141-T143 PolarHBondContact OD1-N 2.98Å; D141-T143 PolarHBondContact OD1-OG1 3.08Å; T143-L145 PolarHBondContact O-N 2.89Å; T143-G146 PolarHBondContact O-N 3.31Å; T143-G146 VanDerWaalsContact O-N 3.09Å; T143-F147 WeakPolarHBondContact CA-O 3.36Å; T143-F147 PolarHBondContact N-O 3.22Å
144	S	73.6	Confident	88.1	Confident	107 Å²	107	68.7 Å²	68.7	75%	0.748	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-62	-21.6	173.8	54.5	0	0	0	0	113.9	L142	L142-S144 VanDerWaalsContact C-N 3.26Å; L142-S144 PolarHBondContact O-N 2.96Å
145	L	74.9	Confident	88.1	Confident	79 Å²	79	66.8 Å²	66.8	41%	0.414	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-102.2	7.9	178.4	-57.1	177	0	0	0	112.5	I125 T128 L142 T143 F147	I125-L145 HydrophobicContact CD1-CB 3.87Å; I125-L145 HydrophobicContact CD1-CD1 3.49Å; I125-L145 VanDerWaalsContact CD1-CD1 3.49Å; I125-L145 HydrophobicContact CD1-CG 4.31Å; T128-L145 HydrophobicContact CG2-CD1 3.92Å; L142-L145 HydrophobicContact CD2-CD1 4.34Å; L142-L145 CarbonylContact O-C 3.59Å; L142-L145 WeakPolarHBondContact O-CA 3.33Å; L142-L145 PolarHBondContact O-N 3.11Å; T143-L145 PolarHBondContact O-N 2.89Å; L145-F147 HydrophobicContact CB-CD2 4.18Å; L145-F147 VanDerWaalsContact O-CD2 3.26Å; L145-F147 WeakPolarHBondContact O-CD2 3.48Å; L145-F147 WeakPolarHBondContact O-CE2 3.37Å
146	G	75.6	Confident	88.2	Confident	53 Å²	53	63.9 Å²	63.9	55%	0.546	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	30.2	179	0	0	0	0	0	114.6	R36 L142 T143	R36-G146 PolarHBondContact NH2-O 2.97Å; L142-G146 PolarHBondContact O-N 2.82Å; T143-G146 PolarHBondContact O-N 3.31Å; T143-G146 VanDerWaalsContact O-N 3.09Å
147	F	79.2	Confident	88.2	Confident	26 Å²	26	55.7 Å²	55.7	11%	0.114	31%	0.309	C	S	.	.			trans	-129.3	124.6	175.3	-63.4	-111.2	0	0	0	109.8	R36 D122 I125 L142 T143 L145 Y149	R36-F147 VanDerWaalsContact NH2-CD2 3.27Å; R36-F147 VanDerWaalsContact NH2-CG 3.32Å; D122-F147 HydrophobicContact CB-CZ 4.41Å; D122-F147 VanDerWaalsContact OD2-CZ 3.3Å; D122-F147 WeakPolarHBondContact OD2-CZ 3.25Å; I125-F147 HydrophobicContact CD1-CD2 3.93Å; I125-F147 HydrophobicContact CD1-CE2 3.47Å; I125-F147 VanDerWaalsContact CD1-CE2 3.47Å; I125-F147 HydrophobicContact CD1-CZ 3.95Å; I125-F147 HydrophobicContact CG1-CD2 4.22Å; I125-F147 HydrophobicContact CG1-CE1 4.08Å; I125-F147 HydrophobicContact CG1-CE2 3.48Å; I125-F147 VanDerWaalsContact CG1-CE2 3.48Å; I125-F147 HydrophobicContact CG1-CZ 3.38Å; L142-F147 CarbonylContact C-O 3.56Å; L142-F147 HydrophobicContact CB-CB 3.7Å; L142-F147 HydrophobicContact CB-CG 4.41Å; L142-F147 HydrophobicContact CD1-CB 4.48Å; L142-F147 PolarHBondContact O-N 3.34Å; L142-F147 VanDerWaalsContact O-N 3.16Å; T143-F147 WeakPolarHBondContact CA-O 3.36Å; T143-F147 PolarHBondContact N-O 3.22Å; L145-F147 HydrophobicContact CB-CD2 4.18Å; L145-F147 VanDerWaalsContact O-CD2 3.26Å; L145-F147 WeakPolarHBondContact O-CD2 3.48Å; L145-F147 WeakPolarHBondContact O-CE2 3.37Å; F147-Y149 HydrophobicContact CB-CD2 3.95Å; F147-Y149 HydrophobicContact CD1-CD2 4.2Å; F147-Y149 HydrophobicContact CD1-CE2 4.35Å; F147-Y149 PolarHBondContact O-N 3.02Å
148	C	82.9	Confident	88.3	Confident	31 Å²	31	51.2 Å²	51.2	21%	0.209	29%	0.288	C	S	.	.			trans	-77.2	33.2	-179.4	58	0	0	0	0	114.2	N160 R161 Q162	C148-N160 CarbonylContact O-C 3.53Å; C148-R161 PolarHBondContact O-N 2.83Å; C148-Q162 HydrophobicContact CB-CG 4.11Å
149	Y	88.4	Confident	88.3	Confident	57 Å²	57	49.5 Å²	49.5	22%	0.224	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.1	-175.5	-57.8	-61.4	0	0	0	111.8	L142 F147 Q158 T159 N160	L142-Y149 PolarHBondContact N-O 2.99Å; F147-Y149 HydrophobicContact CB-CD2 3.95Å; F147-Y149 HydrophobicContact CD1-CD2 4.2Å; F147-Y149 HydrophobicContact CD1-CE2 4.35Å; F147-Y149 PolarHBondContact O-N 3.02Å; Y149-Q158 VanDerWaalsContact CG-OE1 3.31Å; Y149-T159 WeakPolarHBondContact CA-O 3.36Å; Y149-N160 HydrophobicContact CD1-CB 4Å; Y149-N160 HydrophobicContact CE1-CB 3.89Å
150	L	91.4	Very high	88.2	Confident	52 Å²	52	43.5 Å²	43.5	27%	0.272	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	122	164	-178.9	68.3	0	0	0	108.2	W139 D141 Q158 T159 R161	W139-L150 HydrophobicContact CB-CD1 4.4Å; W139-L150 HydrophobicContact CD2-CD1 4.26Å; W139-L150 HydrophobicContact CE3-CD1 3.64Å; W139-L150 HydrophobicContact CZ3-CD1 4.33Å; D141-L150 HydrophobicContact CB-CD1 4.03Å; L150-Q158 CarbonylContact O-C 3.51Å; L150-Q158 WeakPolarHBondContact O-CA 3.41Å; L150-T159 PolarHBondContact N-O 2.86Å; L150-T159 PolarHBondContact O-N 3.39Å; L150-R161 HydrophobicContact CB-CG 4.12Å
151	I	94.9	Very high	87.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.2	171.9	-76	169.5	0	0	0	109	I129 W139 L140 L142 F153 S157 Q158 L169	I129-I151 HydrophobicContact CD1-CD1 3.38Å; I129-I151 HydrophobicContact CG1-CD1 3.59Å; I129-I151 HydrophobicContact CG2-CD1 4.41Å; W139-I151 CarbonylContact C-O 3.55Å; W139-I151 WeakPolarHBondContact CA-O 3.43Å; W139-I151 WeakPolarHBondContact CB-O 3.4Å; L140-I151 HydrophobicContact CB-CB 4.38Å; L140-I151 PolarHBondContact N-O 3.28Å; L140-I151 PolarHBondContact O-N 2.82Å; L142-I151 HydrophobicContact CD1-CD1 3.79Å; L142-I151 HydrophobicContact CG-CD1 4.33Å; I151-F153 HydrophobicContact CG2-CD1 3.96Å; I151-F153 HydrophobicContact CG2-CD2 4.31Å; I151-F153 HydrophobicContact CG2-CE1 3.74Å; I151-F153 HydrophobicContact CG2-CE2 4.11Å; I151-F153 HydrophobicContact CG2-CG 4.27Å; I151-F153 HydrophobicContact CG2-CZ 3.82Å; I151-S157 WeakPolarHBondContact CA-O 3.32Å; I151-Q158 HydrophobicContact CG1-CB 4.15Å; I151-L169 HydrophobicContact CG1-CD2 4.38Å; I151-L169 HydrophobicContact CG2-CD2 3.6Å
152	D	93.8	Very high	87.1	Confident	46 Å²	46	54.4 Å²	54.4	25%	0.246	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	117.4	170	169.3	4.5	0	0	0	107.8	N154 S155 M156 S157	D152-N154 WeakPolarHBondContact OD1-CA 3.41Å; D152-N154 WeakPolarHBondContact OD1-CB 3.4Å; D152-N154 PolarHBondContact OD1-N 3.39Å; D152-S155 PolarHBondContact OD1-N 3.17Å; D152-S155 VanDerWaalsContact OD1-N 3.09Å; D152-S155 VanDerWaalsContact OD2-CB 3.27Å; D152-S155 WeakPolarHBondContact OD2-CB 3.38Å; D152-S155 PolarHBondContact OD2-OG 2.85Å; D152-M156 WeakPolarHBondContact O-CA 3.34Å; D152-M156 PolarHBondContact O-N 3.49Å; D152-M156 VanDerWaalsContact O-N 3.14Å; D152-S157 PolarHBondContact N-O 2.89Å; D152-S157 PolarHBondContact O-N 2.94Å
153	F	94.9	Very high	86.9	Confident	16 Å²	16	58 Å²	58	7%	0.07	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-25.3	-177.7	-66.6	-70.4	0	0	0	112.5	W109 I129 A132 Y133 H137 P138 L140 I151	W109-F153 HydrophobicContact CH2-CD1 4.1Å; W109-F153 AromaticContact CH2-CE1 3.95Å; W109-F153 HydrophobicContact CH2-CE1 3.95Å; W109-F153 HydrophobicContact CZ2-CE1 4.38Å; W109-F153 HydrophobicContact CZ3-CE1 4.41Å; I129-F153 HydrophobicContact CG2-CE1 3.58Å; I129-F153 HydrophobicContact CG2-CZ 3.88Å; A132-F153 HydrophobicContact CB-CE2 3.97Å; A132-F153 HydrophobicContact CB-CZ 3.94Å; Y133-F153 AromaticContact CD2-CD1 3.66Å; Y133-F153 HydrophobicContact CD2-CD1 3.66Å; Y133-F153 HydrophobicContact CD2-CE1 4.08Å; Y133-F153 HydrophobicContact CD2-CG 4.29Å; Y133-F153 HydrophobicContact CG-CD1 4.47Å; Y133-F153 HydrophobicContact CG-CE1 4.48Å; H137-F153 WeakPolarHBondContact O-CD2 3.26Å; P138-F153 PolarHBondContact O-N 3.45Å; L140-F153 HydrophobicContact CB-CE2 3.77Å; L140-F153 HydrophobicContact CB-CZ 4.1Å; L140-F153 HydrophobicContact CD2-CZ 4.44Å; I151-F153 HydrophobicContact CG2-CD1 3.96Å; I151-F153 HydrophobicContact CG2-CD2 4.31Å; I151-F153 HydrophobicContact CG2-CE1 3.74Å; I151-F153 HydrophobicContact CG2-CE2 4.11Å; I151-F153 HydrophobicContact CG2-CG 4.27Å; I151-F153 HydrophobicContact CG2-CZ 3.82Å
154	N	92.8	Very high	87.2	Confident	134 Å²	134	61 Å²	61	72%	0.717	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-44.4	177.9	-63.3	-33.4	0	0	0	110.8	D152	D152-N154 WeakPolarHBondContact OD1-CA 3.41Å; D152-N154 WeakPolarHBondContact OD1-CB 3.4Å; D152-N154 PolarHBondContact OD1-N 3.39Å
155	S	92.7	Very high	87.7	Confident	51 Å²	51	62 Å²	62	36%	0.357	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	9.2	175.9	76.7	0	0	0	0	114.6	D152 S157 K166	D152-S155 PolarHBondContact OD1-N 3.17Å; D152-S155 VanDerWaalsContact OD1-N 3.09Å; D152-S155 VanDerWaalsContact OD2-CB 3.27Å; D152-S155 WeakPolarHBondContact OD2-CB 3.38Å; D152-S155 PolarHBondContact OD2-OG 2.85Å; S155-S157 PolarHBondContact O-N 3.14Å; S155-S157 PolarHBondContact OG-OG 2.92Å; S155-K166 PolarHBondContact OG-NZ 3.44Å
156	M	95.3	Very high	88.5	Confident	62 Å²	62	64 Å²	64	31%	0.305	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.3	62.3	-179.1	-75.1	-66.7	-71.8	0	0	112.4	W109 D152 L169	W109-M156 HydrophobicContact CH2-CE 4.33Å; W109-M156 HydrophobicContact CZ3-CE 3.85Å; W109-M156 HydrophobicContact CZ3-SD 4.31Å; D152-M156 WeakPolarHBondContact O-CA 3.34Å; D152-M156 PolarHBondContact O-N 3.49Å; D152-M156 VanDerWaalsContact O-N 3.14Å; M156-L169 WeakPolarHBondContact O-CB 3.29Å; M156-L169 PolarHBondContact O-N 2.83Å
157	S	94.2	Very high	89.3	Confident	4 Å²	4	63.6 Å²	63.6	3%	0.028	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	159.2	-174	65.7	0	0	0	0	113.5	I151 D152 S155 K166 R167	I151-S157 WeakPolarHBondContact CA-O 3.32Å; D152-S157 PolarHBondContact N-O 2.89Å; D152-S157 PolarHBondContact O-N 2.94Å; S155-S157 PolarHBondContact O-N 3.14Å; S155-S157 PolarHBondContact OG-OG 2.92Å; S157-K166 WeakPolarHBondContact OG-CE 3.21Å; S157-K166 PolarHBondContact OG-NZ 2.87Å; S157-R167 CarbonylContact C-O 3.37Å; S157-R167 VanDerWaalsContact CA-O 3.3Å; S157-R167 WeakPolarHBondContact CA-O 3.49Å; S157-R167 WeakPolarHBondContact CB-O 3.21Å
158	Q	94.3	Very high	90.1	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.1	161.8	63.8	167.1	-15.4	0	0	110	W111 Y121 Y149 L150 I151 K166 R167	W111-Q158 VanDerWaalsContact CB-NE2 3.27Å; W111-Q158 VanDerWaalsContact CD2-NE2 3.33Å; W111-Q158 VanDerWaalsContact CG-NE2 3.27Å; Y121-Q158 PolarHBondContact OH-OE1 2.81Å; Y149-Q158 VanDerWaalsContact CG-OE1 3.31Å; L150-Q158 CarbonylContact O-C 3.51Å; L150-Q158 WeakPolarHBondContact O-CA 3.41Å; I151-Q158 HydrophobicContact CG1-CB 4.15Å; Q158-K166 CarbonylContact O-C 3.5Å; Q158-K166 WeakPolarHBondContact O-CA 3.28Å; Q158-R167 HydrophobicContact CG-CB 3.89Å; Q158-R167 PolarHBondContact N-O 3.23Å; Q158-R167 PolarHBondContact O-N 2.86Å
159	T	91.4	Very high	90.7	Very high	30 Å²	30	68.2 Å²	68.2	18%	0.184	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.1	173.5	-57.5	0	0	0	0	108.9	Y149 L150 R161	Y149-T159 WeakPolarHBondContact CA-O 3.36Å; L150-T159 PolarHBondContact N-O 2.86Å; L150-T159 PolarHBondContact O-N 3.39Å; T159-R161 PolarHBondContact O-N 2.9Å
160	N	89.2	Confident	91.1	Very high	24 Å²	24	69.6 Å²	69.6	13%	0.128	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117.4	172.8	-176.4	-51.9	0	0	0	109.4	C148 Y149 Q162 S163 Q164 R165	C148-N160 CarbonylContact O-C 3.53Å; Y149-N160 HydrophobicContact CD1-CB 4Å; Y149-N160 HydrophobicContact CE1-CB 3.89Å; N160-Q162 PolarHBondContact O-N 3.02Å; N160-Q162 WeakPolarHBondContact OD1-CA 3.37Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.24Å; N160-Q162 PolarHBondContact OD1-N 2.81Å; N160-S163 WeakPolarHBondContact CB-OG 3.48Å; N160-S163 PolarHBondContact OD1-N 3.17Å; N160-S163 PolarHBondContact OD1-OG 3.22Å; N160-Q164 WeakPolarHBondContact O-CA 3.47Å; N160-Q164 PolarHBondContact O-N 3.47Å; N160-R165 PolarHBondContact N-O 3.11Å
161	R	80.8	Confident	91.3	Very high	134 Å²	134	71.7 Å²	71.7	51%	0.506	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.3	-176.6	-63.2	-164.2	66.8	155.2	4.9	113.8	D141 C148 L150 T159 Q164	D141-R161 IonicContact OD2-CZ 2.66Å; D141-R161 IonicContact OD2-NH1 3.37Å; D141-R161 PolarHBondContact OD2-NH1 3Å; C148-R161 PolarHBondContact O-N 2.83Å; L150-R161 HydrophobicContact CB-CG 4.12Å; T159-R161 PolarHBondContact O-N 2.9Å; R161-Q164 PolarHBondContact O-NE2 2.87Å
162	Q	79.4	Confident	91.2	Very high	162 Å²	162	75.4 Å²	75.4	76%	0.757	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-44.2	179.9	-62.6	172.5	-9.2	0	0	112.1	C148 N160	C148-Q162 HydrophobicContact CB-CG 4.11Å; N160-Q162 PolarHBondContact O-N 3.02Å; N160-Q162 WeakPolarHBondContact OD1-CA 3.37Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.24Å; N160-Q162 PolarHBondContact OD1-N 2.81Å
163	S	82.6	Confident	91.2	Very high	75 Å²	75	78.8 Å²	78.8	52%	0.524	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-2.5	-177.2	62.5	0	0	0	0	114.7	N160 R165	N160-S163 WeakPolarHBondContact CB-OG 3.48Å; N160-S163 PolarHBondContact OD1-N 3.17Å; N160-S163 PolarHBondContact OD1-OG 3.22Å; S163-R165 PolarHBondContact O-N 2.91Å
164	Q	88.4	Confident	90.9	Very high	136 Å²	136	80.8 Å²	80.8	64%	0.636	37%	0.371	S	S	*	.			trans	54.6	13.9	-173	-61.2	-60	-47.4	0	0	114.7	N160 R161 K166	N160-Q164 WeakPolarHBondContact O-CA 3.47Å; N160-Q164 PolarHBondContact O-N 3.47Å; R161-Q164 PolarHBondContact O-NE2 2.87Å; Q164-K166 PolarHBondContact O-N 3.02Å
165	R	84.8	Confident	90.8	Very high	129 Å²	129	78.7 Å²	78.7	49%	0.487	36%	0.359	S	S	.	.			trans	-76.1	118.4	-178	-163	170.2	-171	-146.2	-11.1	110.5	D114 N160 S163	D114-R165 VanDerWaalsContact CG-NH2 3.35Å; D114-R165 IonicContact OD1-CZ 3.78Å; D114-R165 IonicContact OD1-NH1 2.67Å; D114-R165 PolarHBondContact OD1-NH1 3.31Å; D114-R165 IonicContact OD1-NH2 3.54Å; D114-R165 PolarHBondContact OD1-NH2 3.46Å; D114-R165 IonicContact OD2-CZ 3.42Å; D114-R165 IonicContact OD2-NH1 3.31Å; D114-R165 PolarHBondContact OD2-NH1 3.3Å; D114-R165 IonicContact OD2-NH2 2.69Å; N160-R165 PolarHBondContact N-O 3.11Å; S163-R165 PolarHBondContact O-N 2.91Å
166	K	90.9	Very high	90.8	Very high	122 Å²	122	78.3 Å²	78.3	53%	0.53	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	139.1	176.3	-163.4	170.8	-171.5	175.2	0	110.7	S155 S157 Q158 Q164	S155-K166 PolarHBondContact OG-NZ 3.44Å; S157-K166 WeakPolarHBondContact OG-CE 3.21Å; S157-K166 PolarHBondContact OG-NZ 2.87Å; Q158-K166 CarbonylContact O-C 3.5Å; Q158-K166 WeakPolarHBondContact O-CA 3.28Å; Q164-K166 PolarHBondContact O-N 3.02Å
167	R	93	Very high	90.8	Very high	44 Å²	44	75.9 Å²	75.9	17%	0.166	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.9	174.8	-62.8	176	174.1	-73.9	-0	109.7	E112 N113 D114 S157 Q158	E112-R167 WeakPolarHBondContact O-CD 3.32Å; E112-R167 PolarHBondContact O-NH1 2.69Å; E112-R167 VanDerWaalsContact O-NH1 3.17Å; N113-R167 VanDerWaalsContact C-NH1 3.29Å; D114-R167 IonicContact OD1-CZ 3.52Å; D114-R167 IonicContact OD1-NH1 3.13Å; D114-R167 PolarHBondContact OD1-NH1 3.36Å; D114-R167 IonicContact OD1-NH2 3.92Å; D114-R167 PolarHBondContact OD1-NH2 2.84Å; D114-R167 IonicContact OD2-CZ 2.69Å; D114-R167 IonicContact OD2-NH1 2.75Å; D114-R167 IonicContact OD2-NH2 3.73Å; D114-R167 PolarHBondContact OD2-NH2 2.88Å; S157-R167 CarbonylContact C-O 3.37Å; S157-R167 VanDerWaalsContact CA-O 3.3Å; S157-R167 WeakPolarHBondContact CA-O 3.49Å; S157-R167 WeakPolarHBondContact CB-O 3.21Å; Q158-R167 HydrophobicContact CG-CB 3.89Å; Q158-R167 PolarHBondContact N-O 3.23Å; Q158-R167 PolarHBondContact O-N 2.86Å
168	R	95.4	Very high	90.8	Very high	147 Å²	147	75.9 Å²	75.9	56%	0.555	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.8	145.4	178	-70.6	168.9	57.3	-133.4	13.1	111.2	W111 E112 W118	W111-R168 WeakPolarHBondContact CA-O 3.47Å; E112-R168 HydrophobicContact CB-CB 4.18Å; E112-R168 PolarHBondContact N-O 3.36Å; E112-R168 IonicContact OE1-NH1 3.28Å; E112-R168 PolarHBondContact OE1-NH1 2.94Å; E112-R168 WeakPolarHBondContact OE2-CB 3.43Å; E112-R168 VanDerWaalsContact OE2-CD 3.25Å; E112-R168 WeakPolarHBondContact OE2-CD 2.84Å; E112-R168 IonicContact OE2-CZ 3.5Å; E112-R168 IonicContact OE2-NE 3.05Å; E112-R168 IonicContact OE2-NH1 2.72Å; E112-R168 PolarHBondContact OE2-NH1 2.78Å; W118-R168 HydrophobicContact CH2-CB 3.82Å
169	L	96.4	Very high	90.7	Very high	7 Å²	7	80.5 Å²	80.5	4%	0.037	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.8	178.4	-179.9	70.7	0	0	0	108.2	W109 Y121 I151 M156	W109-L169 HydrophobicContact CE3-CD1 3.96Å; W109-L169 HydrophobicContact CE3-CD2 4.01Å; W109-L169 HydrophobicContact CE3-CG 3.84Å; W109-L169 HydrophobicContact CZ3-CD1 4.45Å; W109-L169 HydrophobicContact CZ3-CD2 3.69Å; W109-L169 HydrophobicContact CZ3-CG 3.85Å; Y121-L169 HydrophobicContact CE2-CD1 3.45Å; Y121-L169 VanDerWaalsContact CE2-CD1 3.45Å; I151-L169 HydrophobicContact CG1-CD2 4.38Å; I151-L169 HydrophobicContact CG2-CD2 3.6Å; M156-L169 WeakPolarHBondContact O-CB 3.29Å; M156-L169 PolarHBondContact O-N 2.83Å
170	R	95.9	Very high	90.4	Very high	86 Å²	86	81 Å²	81	33%	0.325	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	149.7	169.7	76.3	-176.2	-174.3	-175.6	3.6	112	E110 W118	E110-R170 HydrophobicContact CB-CG 4.04Å; E110-R170 PolarHBondContact N-O 2.73Å; E110-R170 PolarHBondContact O-N 2.7Å; E110-R170 IonicContact OE2-CZ 2.66Å; E110-R170 IonicContact OE2-NE 3.16Å; E110-R170 PolarHBondContact OE2-NE 3.46Å; E110-R170 IonicContact OE2-NH2 3.7Å; E110-R170 PolarHBondContact OE2-NH2 3Å; W118-R170 VanDerWaalsContact CD1-NH1 3.3Å; W118-R170 HydrophobicContact CD2-CG 4.15Å; W118-R170 HydrophobicContact CE3-CB 4.25Å; W118-R170 VanDerWaalsContact CE3-CD 3.45Å; W118-R170 HydrophobicContact CE3-CG 3.51Å; W118-R170 HydrophobicContact CH2-CB 3.98Å; W118-R170 HydrophobicContact CH2-CG 4.1Å; W118-R170 HydrophobicContact CZ3-CB 3.7Å; W118-R170 HydrophobicContact CZ3-CG 3.49Å; W118-R170 VanDerWaalsContact CZ3-CG 3.49Å
171	R	95.4	Very high	89.5	Confident	96 Å²	96	87.7 Å²	87.7	36%	0.362	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	119.8	167.1	-176.7	-179.8	173.4	-113.4	-7.2	107.4	V107 W109 Q130	V107-R171 HydrophobicContact CG1-CG 3.73Å; W109-R171 HydrophobicContact CD2-CB 4.08Å; W109-R171 HydrophobicContact CD2-CG 4.31Å; W109-R171 HydrophobicContact CE3-CB 3.96Å; W109-R171 HydrophobicContact CH2-CB 3.77Å; W109-R171 HydrophobicContact CH2-CG 4.27Å; W109-R171 HydrophobicContact CZ2-CB 3.85Å; W109-R171 HydrophobicContact CZ2-CG 3.83Å; W109-R171 HydrophobicContact CZ3-CB 3.82Å; Q130-R171 VanDerWaalsContact OE1-NE 3.17Å
172	R	94.3	Very high	88.6	Confident	78 Å²	78	82.7 Å²	82.7	29%	0.294	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.6	179.4	-171.4	167.4	64.1	75.3	5	109.4	V108 E110 D174	V108-R172 PolarHBondContact N-O 3.37Å; V108-R172 PolarHBondContact O-N 2.66Å; E110-R172 VanDerWaalsContact CD-NE 3.32Å; E110-R172 IonicContact OE1-CZ 2.65Å; E110-R172 VanDerWaalsContact OE1-CZ 3.27Å; E110-R172 IonicContact OE1-NE 3.78Å; E110-R172 PolarHBondContact OE1-NE 3.12Å; E110-R172 IonicContact OE1-NH2 3.77Å; E110-R172 PolarHBondContact OE1-NH2 2.89Å; E110-R172 IonicContact OE2-NE 3.47Å; E110-R172 PolarHBondContact OE2-NE 3.46Å; R172-D174 IonicContact CZ-OD2 2.81Å; R172-D174 VanDerWaalsContact CZ-OD2 3.24Å; R172-D174 IonicContact NH1-OD1 3.95Å; R172-D174 IonicContact NH1-OD2 3.14Å; R172-D174 PolarHBondContact NH1-OD2 3.48Å; R172-D174 IonicContact NH2-OD2 2.74Å; R172-D174 PolarHBondContact NH2-OD2 2.85Å
173	M	92.3	Very high	87	Confident	116 Å²	116	79.8 Å²	79.8	57%	0.571	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	134.5	166.1	-57.3	-56.9	-61.3	0	0	108	K105 V107	K105-M173 WeakPolarHBondContact O-CE 3.36Å; V107-M173 HydrophobicContact CG2-CE 3.99Å; V107-M173 HydrophobicContact CG2-SD 3.87Å
174	D	89.3	Confident	85	Confident	59 Å²	59	79.2 Å²	79.2	32%	0.316	38%	0.382	S	S	.	.			trans	-139.8	177.7	-176.2	-154.6	-20	0	0	0	108.7	G106 V108 R172 A176	G106-D174 WeakPolarHBondContact CA-O 3.47Å; G106-D174 PolarHBondContact O-N 2.9Å; V108-D174 HydrophobicContact CG2-CB 3.86Å; R172-D174 IonicContact CZ-OD2 2.81Å; R172-D174 VanDerWaalsContact CZ-OD2 3.24Å; R172-D174 IonicContact NH1-OD1 3.95Å; R172-D174 IonicContact NH1-OD2 3.14Å; R172-D174 PolarHBondContact NH1-OD2 3.48Å; R172-D174 IonicContact NH2-OD2 2.74Å; R172-D174 PolarHBondContact NH2-OD2 2.85Å; D174-A176 PolarHBondContact O-N 2.89Å
175	L	91.1	Very high	82.8	Confident	90 Å²	90	73.5 Å²	73.5	47%	0.471	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-56.4	134.7	170.3	179.4	63.6	0	0	0	110.4	A42	A42-L175 HydrophobicContact CB-CB 4Å; A42-L175 HydrophobicContact CB-CD2 4.45Å; A42-L175 HydrophobicContact CB-CG 4.23Å; A42-L175 WeakPolarHBondContact CB-O 3.48Å
176	A	92.4	Very high	80.4	Confident	42 Å²	42	76.8 Å²	76.8	35%	0.347	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-64.7	137.1	172.6	0	0	0	0	0	110.7	H46 D174	H46-A176 PolarHBondContact NE2-O 2.88Å; D174-A176 PolarHBondContact O-N 2.89Å
177	Y	95.1	Very high	77.8	Confident	11 Å²	11	72.6 Å²	72.6	4%	0.043	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-66	155.3	179.3	-78.8	-100.1	0	0	0	111.4	V25 V27 Y40 A42 C45 P103 M123 L179	V25-Y177 VanDerWaalsContact CG1-CB 3.43Å; V27-Y177 HydrophobicContact CB-CD1 4.22Å; V27-Y177 HydrophobicContact CB-CE1 4.4Å; V27-Y177 HydrophobicContact CG1-CD1 4.15Å; V27-Y177 HydrophobicContact CG1-CE1 3.82Å; V27-Y177 HydrophobicContact CG2-CD1 3.72Å; V27-Y177 HydrophobicContact CG2-CE1 4.13Å; V27-Y177 HydrophobicContact CG2-CG 3.98Å; Y40-Y177 WeakPolarHBondContact O-CE1 3.45Å; Y40-Y177 PolarHBondContact O-OH 2.99Å; A42-Y177 HydrophobicContact CB-CD1 4.14Å; A42-Y177 HydrophobicContact CB-CD2 3.93Å; A42-Y177 HydrophobicContact CB-CE1 4.2Å; A42-Y177 HydrophobicContact CB-CE2 3.99Å; A42-Y177 HydrophobicContact CB-CG 4.02Å; C45-Y177 HydrophobicContact CB-CD1 3.94Å; C45-Y177 HydrophobicContact CB-CE1 4.32Å; C45-Y177 VanDerWaalsContact SG-CE1 3.58Å; P103-Y177 HydrophobicContact CB-CD2 3.53Å; P103-Y177 HydrophobicContact CB-CE2 4.14Å; P103-Y177 HydrophobicContact CB-CG 3.92Å; P103-Y177 PolarHBondContact O-N 3.44Å; M123-Y177 HydrophobicContact CE-CD2 4.47Å; M123-Y177 HydrophobicContact CE-CE1 4.2Å; M123-Y177 HydrophobicContact CE-CE2 3.73Å; Y177-L179 PolarHBondContact O-N 3.23Å
178	P	94.7	Very high	75.2	Confident	5 Å²	5	74 Å²	74	3%	0.032	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-50.3	122.6	-175.2	-27.8	31.6	0	0	0	114.2	V25 V26 C45 H46 E49	V25-P178 CarbonylContact C-O 3.58Å; V25-P178 WeakPolarHBondContact CA-O 3.45Å; V26-P178 HydrophobicContact CB-CB 4.45Å; V26-P178 PolarHBondContact N-O 3.28Å; V26-P178 WeakPolarHBondContact O-CD 3.34Å; C45-P178 HydrophobicContact CB-CG 3.94Å; H46-P178 HydrophobicContact CB-CG 4.26Å; E49-P178 HydrophobicContact CB-CB 4.37Å; E49-P178 HydrophobicContact CB-CG 4.38Å; E49-P178 HydrophobicContact CG-CB 3.84Å; E49-P178 HydrophobicContact CG-CG 3.89Å
179	L	91.2	Very high	72.2	Confident	97 Å²	97	69.3 Å²	69.3	51%	0.508	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.6	171.3	-167.5	74.3	0	0	0	109.7	A23 V25 P99 Y177	A23-L179 HydrophobicContact CB-CD1 4.16Å; A23-L179 HydrophobicContact CB-CG 4.43Å; V25-L179 HydrophobicContact CG2-CD1 3.79Å; P99-L179 HydrophobicContact CB-CD1 4.17Å; P99-L179 HydrophobicContact CG-CD1 3.88Å; Y177-L179 PolarHBondContact O-N 3.23Å
180	I	85.8	Confident	69.1	Low	42 Å²	42	75.5 Å²	75.5	22%	0.215	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.5	171.9	61.2	167	0	0	0	110.7	A23 R24 V26 F96	A23-I180 WeakPolarHBondContact CA-O 3.34Å; R24-I180 HydrophobicContact CB-CG1 4.35Å; R24-I180 PolarHBondContact N-O 2.86Å; R24-I180 WeakPolarHBondContact O-CG1 3.27Å; R24-I180 PolarHBondContact O-N 3.22Å; V26-I180 HydrophobicContact CG2-CB 4.34Å; V26-I180 HydrophobicContact CG2-CD1 3.66Å; V26-I180 HydrophobicContact CG2-CG1 3.68Å; V26-I180 HydrophobicContact CG2-CG2 3.76Å; F96-I180 HydrophobicContact CD1-CD1 4.02Å; F96-I180 HydrophobicContact CE1-CD1 3.61Å
181	M	71.1	Confident	66.2	Low	164 Å²	164	75.7 Å²	75.7	81%	0.808	39%	0.394	S	S	*	.			trans	-122.6	135.1	178.4	-62.8	176.1	68.7	0	0	109.1	A23	A23-M181 HydrophobicContact CB-CG 4.26Å
182	G	61.2	Low	63	Low	29 Å²	29	76 Å²	76	30%	0.299	41%	0.407	S	S	.	.	S	Bend	trans	148.8	179.5	176.5	0	0	0	0	0	113.7	N21 I184	N21-G182 VanDerWaalsContact OD1-CA 3.3Å; N21-G182 WeakPolarHBondContact OD1-CA 3.46Å; G182-I184 PolarHBondContact O-N 2.83Å; G182-I184 VanDerWaalsContact O-N 3.09Å
183	S	44.9	Very low	59.9	Low	100 Å²	100	75.6 Å²	75.6	70%	0.699	43%	0.426	S	S	*	.	S	Bend	trans	-65.9	106.1	173.2	44.3	0	0	0	0	110	N21 P185	N21-S183 PolarHBondContact OD1-N 3.47Å; S183-P185 WeakPolarHBondContact O-CD 3.3Å
184	I	42.4	Very low	57.3	Low	63 Å²	63	74.9 Å²	74.9	32%	0.323	44%	0.439	S	S	.	.			trans	-69.5	129.1	-176.4	-30.4	171.5	0	0	0	109.3	L22 R24 G182	L22-I184 HydrophobicContact CB-CD1 3.99Å; R24-I184 HydrophobicContact CG-CD1 3.6Å; R24-I184 HydrophobicContact CG-CG1 4.49Å; G182-I184 PolarHBondContact O-N 2.83Å; G182-I184 VanDerWaalsContact O-N 3.09Å
185	P	41.3	Very low	54.4	Low	16 Å²	16	77.2 Å²	77.2	10%	0.104	46%	0.46	C	S	.	.			trans	-33.3	142.8	140.7	-6.8	-8.9	0	0	0	113.2	S183 S187 Q188 W190	S183-P185 WeakPolarHBondContact O-CD 3.3Å; P185-S187 VanDerWaalsContact C-N 3.33Å; P185-S187 PolarHBondContact O-N 3.44Å; P185-Q188 HydrophobicContact CB-CG 3.5Å; P185-Q188 VanDerWaalsContact CB-CG 3.5Å; P185-Q188 HydrophobicContact CG-CG 3.19Å; P185-W190 HydrophobicContact CB-CD2 3.57Å; P185-W190 HydrophobicContact CB-CE3 3.48Å; P185-W190 VanDerWaalsContact CB-CE3 3.48Å; P185-W190 HydrophobicContact CB-CG 4.35Å; P185-W190 HydrophobicContact CB-CH2 3.82Å; P185-W190 HydrophobicContact CB-CZ2 3.81Å; P185-W190 HydrophobicContact CB-CZ3 3.64Å; P185-W190 VanDerWaalsContact CD-CZ2 3.43Å; P185-W190 HydrophobicContact CG-CD2 3.81Å; P185-W190 VanDerWaalsContact CG-CE2 3.46Å; P185-W190 HydrophobicContact CG-CE3 4.22Å; P185-W190 HydrophobicContact CG-CG 4.36Å; P185-W190 HydrophobicContact CG-CH2 4.18Å; P185-W190 HydrophobicContact CG-CZ2 3.67Å; P185-W190 HydrophobicContact CG-CZ3 4.42Å
186	K	35	Very low	51.8	Low	198 Å²	198	79.3 Å²	79.3	86%	0.861	48%	0.482	S	S	*	.	S	Bend	trans	-60.7	105.7	147.5	-72	175.7	-179	169.8	0	106.4
187	S	34.9	Very low	49.2	Very low	35 Å²	35	80.5 Å²	80.5	25%	0.245	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	24	98.8	173.5	57	0	0	0	0	114.5	P185 S189	P185-S187 VanDerWaalsContact C-N 3.33Å; P185-S187 PolarHBondContact O-N 3.44Å; S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 3.08Å
188	Q	38.7	Very low	46.3	Very low	74 Å²	74	88.9 Å²	88.9	35%	0.346	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	83	-170.5	-67.3	-163	18	0	0	115.3	F96 P185 W190	F96-Q188 HydrophobicContact CE2-CB 4.42Å; F96-Q188 HydrophobicContact CZ-CG 4.44Å; P185-Q188 HydrophobicContact CB-CG 3.5Å; P185-Q188 VanDerWaalsContact CB-CG 3.5Å; P185-Q188 HydrophobicContact CG-CG 3.19Å; Q188-W190 VanDerWaalsContact C-N 3.27Å; Q188-W190 HydrophobicContact CB-CB 4.05Å; Q188-W190 HydrophobicContact CB-CG 4.33Å; Q188-W190 HydrophobicContact CG-CB 3.89Å; Q188-W190 HydrophobicContact CG-CD2 4.15Å; Q188-W190 HydrophobicContact CG-CG 3.62Å
189	S	32.7	Very low	43.7	Very low	47 Å²	47	93.5 Å²	93.5	33%	0.329	57%	0.568	S	S	.	*				-84.2	77.7	114.4	60.1	0	0	0	0	108	S187 N216	S187-S189 VanDerWaalsContact C-N 3.3Å; S187-S189 PolarHBondContact O-N 3.08Å; S189-N216 WeakPolarHBondContact CB-ND2 3.4Å; S189-N216 WeakPolarHBondContact CB-OD1 3.41Å; S189-N216 PolarHBondContact OG-ND2 2.53Å; S189-N216 PolarHBondContact OG-OD1 2.81Å
190	W	31.1	Very low	41.3	Very low	137 Å²	137	92.4 Å²	92.4	52%	0.519	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-70.7	154.8	-174.5	-128.3	-176.7	0	0	0	111	P185 Q188	P185-W190 HydrophobicContact CB-CD2 3.57Å; P185-W190 HydrophobicContact CB-CE3 3.48Å; P185-W190 VanDerWaalsContact CB-CE3 3.48Å; P185-W190 HydrophobicContact CB-CG 4.35Å; P185-W190 HydrophobicContact CB-CH2 3.82Å; P185-W190 HydrophobicContact CB-CZ2 3.81Å; P185-W190 HydrophobicContact CB-CZ3 3.64Å; P185-W190 VanDerWaalsContact CD-CZ2 3.43Å; P185-W190 HydrophobicContact CG-CD2 3.81Å; P185-W190 VanDerWaalsContact CG-CE2 3.46Å; P185-W190 HydrophobicContact CG-CE3 4.22Å; P185-W190 HydrophobicContact CG-CG 4.36Å; P185-W190 HydrophobicContact CG-CH2 4.18Å; P185-W190 HydrophobicContact CG-CZ2 3.67Å; P185-W190 HydrophobicContact CG-CZ3 4.42Å; Q188-W190 VanDerWaalsContact C-N 3.27Å; Q188-W190 HydrophobicContact CB-CB 4.05Å; Q188-W190 HydrophobicContact CB-CG 4.33Å; Q188-W190 HydrophobicContact CG-CB 3.89Å; Q188-W190 HydrophobicContact CG-CD2 4.15Å; Q188-W190 HydrophobicContact CG-CG 3.62Å
191	P	34.5	Very low	39.4	Very low	91 Å²	91	95.5 Å²	95.5	59%	0.591	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-80.2	168.8	-173.2	36.2	-38.6	0	0	0	112.2	G193	P191-G193 PolarHBondContact O-N 3.19Å
192	V	29	Very low	37.9	Very low	103 Å²	103	90 Å²	90	62%	0.624	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-62.9	125.7	163.8	-171.3	0	0	0	0	108.2
193	G	29.3	Very low	36.9	Very low	68 Å²	68	96.5 Å²	96.5	70%	0.701	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-67	141.3	-179.8	0	0	0	0	0	112.3	P191 S195	P191-G193 PolarHBondContact O-N 3.19Å; G193-S195 PolarHBondContact O-N 3.35Å
194	A	37.7	Very low	36.6	Very low	102 Å²	102	98.8 Å²	98.8	84%	0.843	59%	0.593	S	S	*	*			trans	-86.7	104.8	170.1	0	0	0	0	0	109.7
195	S	28	Very low	36.5	Very low	108 Å²	108	98.3 Å²	98.3	76%	0.755	60%	0.595	S	S	*	*	S	Bend	trans	-155.2	107.4	164.4	-68.4	0	0	0	0	109.2	G193 G197	G193-S195 PolarHBondContact O-N 3.35Å; S195-G197 PolarHBondContact O-N 3.15Å
196	S	37.5	Very low	36.7	Very low	133 Å²	133	102 Å²	102	93%	0.93	61%	0.612	S	S	*	*	S	Bend	trans	37.2	76.7	162.9	58.8	0	0	0	0	117.7
197	G	36.4	Very low	36.9	Very low	68 Å²	68	98.4 Å²	98.4	70%	0.701	60%	0.602	S	S	*	*			trans	-178.9	127.7	165.8	0	0	0	0	0	111.1	S195	S195-G197 PolarHBondContact O-N 3.15Å
198	Q	35.5	Very low	36.9	Very low	187 Å²	187	100.7 Å²	100.7	87%	0.874	61%	0.614	S	S	*	*			trans	-57	133.4	174.3	-84.6	-80.3	-23.7	0	0	110
199	P	38.9	Very low	36.9	Very low	101 Å²	101	100.9 Å²	100.9	66%	0.656	62%	0.618	S	S	*	*			trans	-66	139	178.9	27.7	-34.1	0	0	0	110.6	S201	P199-S201 PolarHBondContact O-N 2.74Å
200	C	42	Very low	37.1	Very low	75 Å²	75	101.9 Å²	101.9	51%	0.507	63%	0.625	S	S	.	*			trans	-61	114.9	175.7	-166.7	0	0	0	0	110.4	C202 C205	C200-C202 WeakPolarHBondContact CB-SG 3.47Å; C200-C202 PolarHBondContact O-N 2.63Å; C200-C202 WeakPolarHBondContact SG-CB 3.45Å; C200-C202 CovalentContact SG-SG 2.05Å; C200-C202 PolarHBondContact SG-SG 2.72Å; C200-C205 HydrophobicContact CB-CB 4.08Å
201	S	44.7	Very low	37.5	Very low	107 Å²	107	99.4 Å²	99.4	75%	0.748	63%	0.625	S	S	*	*			trans	-75.9	3.7	173.8	50.8	0	0	0	0	113.3	P199 I206	P199-S201 PolarHBondContact O-N 2.74Å; S201-I206 WeakPolarHBondContact O-CD1 3.47Å
202	C	40.5	Very low	37.7	Very low	49 Å²	49	100.4 Å²	100.4	33%	0.331	62%	0.617	S	S	.	*	S	Bend	trans	-63.4	139.4	175	53.8	0	0	0	0	112.3	C200 Q204 C205 I206	C200-C202 WeakPolarHBondContact CB-SG 3.47Å; C200-C202 PolarHBondContact O-N 2.63Å; C200-C202 WeakPolarHBondContact SG-CB 3.45Å; C200-C202 CovalentContact SG-SG 2.05Å; C200-C202 PolarHBondContact SG-SG 2.72Å; C202-Q204 VanDerWaalsContact C-N 3.32Å; C202-Q204 PolarHBondContact O-N 2.75Å; C202-C205 PolarHBondContact O-N 2.98Å; C202-C205 PolarHBondContact SG-SG 2.86Å; C202-I206 PolarHBondContact O-N 3.06Å
203	Q	40.4	Very low	38	Very low	164 Å²	164	98.4 Å²	98.4	77%	0.766	61%	0.611	S	S	*	*	H	α-helix	trans	-59.2	-36.4	-171.9	-74.7	-156.1	-5	0	0	114	C205 I206 L207	Q203-C205 PolarHBondContact O-N 2.83Å; Q203-I206 PolarHBondContact O-N 2.97Å; Q203-L207 WeakPolarHBondContact O-CB 3.46Å; Q203-L207 PolarHBondContact O-N 3.28Å
204	Q	37.8	Very low	38.3	Very low	148 Å²	148	97.6 Å²	97.6	69%	0.692	60%	0.598	S	S	*	*	H	α-helix	trans	-55.4	-45.6	172.8	-92.7	78.8	-4.8	0	0	112.6	C202 L207 V208	C202-Q204 VanDerWaalsContact C-N 3.32Å; C202-Q204 PolarHBondContact O-N 2.75Å; Q204-L207 PolarHBondContact O-N 3.36Å; Q204-V208 WeakPolarHBondContact O-CG2 3.5Å; Q204-V208 PolarHBondContact O-N 2.8Å
205	C	41.4	Very low	38.3	Very low	54 Å²	54	95.6 Å²	95.6	37%	0.365	58%	0.578	S	S	.	*	H	α-helix	trans	-70.5	-34.3	-177.9	-73.9	0	0	0	0	112.6	C200 C202 Q203 N209	C200-C205 HydrophobicContact CB-CB 4.08Å; C202-C205 PolarHBondContact O-N 2.98Å; C202-C205 PolarHBondContact SG-SG 2.86Å; Q203-C205 PolarHBondContact O-N 2.83Å; C205-N209 WeakPolarHBondContact O-CB 3.4Å; C205-N209 PolarHBondContact O-N 3.02Å
206	I	45.7	Very low	38.6	Very low	92 Å²	92	92.7 Å²	92.7	47%	0.472	55%	0.554	S	S	.	*	H	α-helix	trans	-64.9	-42.6	173.1	-62.7	173.4	0	0	0	110.7	S201 C202 Q203 N209 S210	S201-I206 WeakPolarHBondContact O-CD1 3.47Å; C202-I206 PolarHBondContact O-N 3.06Å; Q203-I206 PolarHBondContact O-N 2.97Å; I206-N209 PolarHBondContact O-N 2.89Å; I206-S210 WeakPolarHBondContact O-CB 3.41Å; I206-S210 PolarHBondContact O-N 3.24Å; I206-S210 PolarHBondContact O-OG 2.8Å
207	L	37.7	Very low	38.7	Very low	123 Å²	123	89.3 Å²	89.3	64%	0.644	53%	0.534	S	S	*	.	H	α-helix	trans	-66.6	-42.4	179.3	-151.3	80.7	0	0	0	112	Q203 Q204 S210 T211	Q203-L207 WeakPolarHBondContact O-CB 3.46Å; Q203-L207 PolarHBondContact O-N 3.28Å; Q204-L207 PolarHBondContact O-N 3.36Å; L207-S210 PolarHBondContact O-N 3.38Å; L207-T211 WeakPolarHBondContact O-CB 3.36Å; L207-T211 PolarHBondContact O-N 2.87Å; L207-T211 PolarHBondContact O-OG1 3.42Å
208	V	36.3	Very low	38.8	Very low	83 Å²	83	90.7 Å²	90.7	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-43.7	176.9	170.3	0	0	0	0	111.1	Q204 T211 R212	Q204-V208 WeakPolarHBondContact O-CG2 3.5Å; Q204-V208 PolarHBondContact O-N 2.8Å; V208-T211 PolarHBondContact O-N 3.21Å; V208-R212 VanDerWaalsContact O-CB 3.25Å; V208-R212 WeakPolarHBondContact O-CB 3.49Å; V208-R212 PolarHBondContact O-N 2.81Å
209	N	37	Very low	38.9	Very low	78 Å²	78	85.8 Å²	85.8	42%	0.417	50%	0.504	S	S	.	.	H	α-helix	trans	-66.9	-39.2	176.9	-80.7	-16.2	0	0	0	112.6	C205 I206 R212 A213	C205-N209 WeakPolarHBondContact O-CB 3.4Å; C205-N209 PolarHBondContact O-N 3.02Å; I206-N209 PolarHBondContact O-N 2.89Å; N209-R212 PolarHBondContact O-N 2.97Å; N209-A213 WeakPolarHBondContact O-CB 3.21Å; N209-A213 PolarHBondContact O-N 3.46Å
210	S	38.1	Very low	38.7	Very low	69 Å²	69	83 Å²	83	48%	0.483	49%	0.489	S	S	.	.	H	α-helix	trans	-63	-42.7	174.4	-61	0	0	0	0	112.4	I206 L207 A213 A214	I206-S210 WeakPolarHBondContact O-CB 3.41Å; I206-S210 PolarHBondContact O-N 3.24Å; I206-S210 PolarHBondContact O-OG 2.8Å; L207-S210 PolarHBondContact O-N 3.38Å; S210-A213 PolarHBondContact O-N 3.21Å; S210-A214 PolarHBondContact O-N 3.47Å; S210-A214 VanDerWaalsContact O-N 3.11Å
211	T	38.7	Very low	38.4	Very low	84 Å²	84	82.4 Å²	82.4	52%	0.515	49%	0.486	S	S	.	.	H	α-helix	trans	-68.1	-40.3	178.5	-51.9	0	0	0	0	111.4	L207 V208 A214 S215	L207-T211 WeakPolarHBondContact O-CB 3.36Å; L207-T211 PolarHBondContact O-N 2.87Å; L207-T211 PolarHBondContact O-OG1 3.42Å; V208-T211 PolarHBondContact O-N 3.21Å; T211-A214 PolarHBondContact O-N 2.93Å; T211-S215 PolarHBondContact O-N 2.91Å; T211-S215 VanDerWaalsContact O-N 3.1Å
212	R	38.6	Very low	38.1	Very low	112 Å²	112	82.9 Å²	82.9	42%	0.423	48%	0.476	S	S	.	.	H	α-helix	trans	-62.9	-41.3	174.1	-174.6	176.1	-101.2	151	-7.7	111.6	V208 N209 A214 N216	V208-R212 VanDerWaalsContact O-CB 3.25Å; V208-R212 WeakPolarHBondContact O-CB 3.49Å; V208-R212 PolarHBondContact O-N 2.81Å; N209-R212 PolarHBondContact O-N 2.97Å; R212-A214 PolarHBondContact O-N 3.41Å; R212-N216 WeakPolarHBondContact O-CB 3.2Å; R212-N216 PolarHBondContact O-N 3.43Å; R212-N216 PolarHBondContact O-ND2 3.35Å; R212-N216 PolarHBondContact O-OD1 2.98Å; R212-N216 VanDerWaalsContact O-OD1 3.04Å
213	A	36.2	Very low	37.9	Very low	61 Å²	61	86.1 Å²	86.1	50%	0.504	48%	0.481	S	S	.	.	H	α-helix	trans	-62.6	-40.6	174.6	0	0	0	0	0	112.8	N209 S210 A217	N209-A213 WeakPolarHBondContact O-CB 3.21Å; N209-A213 PolarHBondContact O-N 3.46Å; S210-A213 PolarHBondContact O-N 3.21Å; A213-A217 PolarHBondContact O-N 3.3Å; A213-A217 VanDerWaalsContact O-N 3.15Å
214	A	35.7	Very low	37.7	Very low	51 Å²	51	88 Å²	88	42%	0.421	48%	0.481	S	S	.	.	H	α-helix	trans	-65.6	-47.1	178.4	0	0	0	0	0	112.9	S210 T211 R212 N216 A217 I218	S210-A214 PolarHBondContact O-N 3.47Å; S210-A214 VanDerWaalsContact O-N 3.11Å; T211-A214 PolarHBondContact O-N 2.93Å; R212-A214 PolarHBondContact O-N 3.41Å; A214-N216 PolarHBondContact O-N 2.88Å; A214-A217 PolarHBondContact O-N 3.45Å; A214-I218 WeakPolarHBondContact O-CG1 3.35Å; A214-I218 PolarHBondContact O-N 3.29Å; A214-I218 VanDerWaalsContact O-N 3.15Å
215	S	36.2	Very low	37.6	Very low	61 Å²	61	90 Å²	90	43%	0.427	49%	0.488	S	S	.	.	H	α-helix	trans	-60.7	-42.8	176.8	-74.9	0	0	0	0	112.4	T211 A217 I218 L219	T211-S215 PolarHBondContact O-N 2.91Å; T211-S215 VanDerWaalsContact O-N 3.1Å; S215-A217 VanDerWaalsContact C-N 3.34Å; S215-A217 PolarHBondContact O-N 2.97Å; S215-I218 PolarHBondContact O-N 2.85Å; S215-L219 PolarHBondContact O-N 3.22Å
216	N	36.3	Very low	37.2	Very low	46 Å²	46	93.7 Å²	93.7	25%	0.246	50%	0.503	C	S	.	.	H	α-helix	trans	-65.2	-37.8	-179.1	-63.1	3.5	0	0	0	111.7	S189 R212 A214 A220	S189-N216 WeakPolarHBondContact CB-ND2 3.4Å; S189-N216 WeakPolarHBondContact CB-OD1 3.41Å; S189-N216 PolarHBondContact OG-ND2 2.53Å; S189-N216 PolarHBondContact OG-OD1 2.81Å; R212-N216 WeakPolarHBondContact O-CB 3.2Å; R212-N216 PolarHBondContact O-N 3.43Å; R212-N216 PolarHBondContact O-ND2 3.35Å; R212-N216 PolarHBondContact O-OD1 2.98Å; R212-N216 VanDerWaalsContact O-OD1 3.04Å; A214-N216 PolarHBondContact O-N 2.88Å; N216-A220 WeakPolarHBondContact O-CB 3.44Å; N216-A220 PolarHBondContact O-N 3.24Å
217	A	37.6	Very low	36.7	Very low	63 Å²	63	99.9 Å²	99.9	52%	0.521	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-37.9	174.7	0	0	0	0	0	112.6	A213 A214 S215 S221	A213-A217 PolarHBondContact O-N 3.3Å; A213-A217 VanDerWaalsContact O-N 3.15Å; A214-A217 PolarHBondContact O-N 3.45Å; S215-A217 VanDerWaalsContact C-N 3.34Å; S215-A217 PolarHBondContact O-N 2.97Å; A217-S221 PolarHBondContact O-N 3.43Å; A217-S221 VanDerWaalsContact O-N 3.14Å
218	I	39	Very low	36.4	Very low	97 Å²	97	97.4 Å²	97.4	50%	0.497	53%	0.526	S	S	.	.	H	α-helix	trans	-67.1	-47.5	177.6	-67.2	164.5	0	0	0	110.6	A214 S215 A220 S221 Q222	A214-I218 WeakPolarHBondContact O-CG1 3.35Å; A214-I218 PolarHBondContact O-N 3.29Å; A214-I218 VanDerWaalsContact O-N 3.15Å; S215-I218 PolarHBondContact O-N 2.85Å; I218-A220 PolarHBondContact O-N 3.39Å; I218-S221 WeakPolarHBondContact O-CB 3.36Å; I218-S221 PolarHBondContact O-N 3.21Å; I218-S221 VanDerWaalsContact O-N 3.08Å; I218-S221 PolarHBondContact O-OG 3.14Å; I218-Q222 PolarHBondContact O-N 2.93Å
219	L	38.3	Very low	36.2	Very low	84 Å²	84	98.5 Å²	98.5	44%	0.44	54%	0.544	S	S	.	.	H	α-helix	trans	-59.9	-42.1	176.1	-81.7	154.3	0	0	0	112.5	S215 S221 Q222 R223	S215-L219 PolarHBondContact O-N 3.22Å; L219-S221 PolarHBondContact O-N 3.01Å; L219-Q222 PolarHBondContact O-N 3.32Å; L219-R223 PolarHBondContact O-N 3.09Å
220	A	34.8	Very low	35.9	Very low	42 Å²	42	98.2 Å²	98.2	35%	0.347	56%	0.56	S	S	.	*	H	α-helix	trans	-68.7	-17.7	175.8	0	0	0	0	0	114.2	N216 I218	N216-A220 WeakPolarHBondContact O-CB 3.44Å; N216-A220 PolarHBondContact O-N 3.24Å; I218-A220 PolarHBondContact O-N 3.39Å
221	S	36.3	Very low	35.5	Very low	63 Å²	63	103 Å²	103	44%	0.441	58%	0.58	S	S	.	*	H	α-helix	trans	-83.2	-33.4	174.1	79.9	0	0	0	0	112.6	A217 I218 L219	A217-S221 PolarHBondContact O-N 3.43Å; A217-S221 VanDerWaalsContact O-N 3.14Å; I218-S221 WeakPolarHBondContact O-CB 3.36Å; I218-S221 PolarHBondContact O-N 3.21Å; I218-S221 VanDerWaalsContact O-N 3.08Å; I218-S221 PolarHBondContact O-OG 3.14Å; L219-S221 PolarHBondContact O-N 3.01Å
222	Q	36.7	Very low	35.3	Very low	116 Å²	116	104.7 Å²	104.7	54%	0.542	60%	0.596	S	S	.	*	H	α-helix	trans	-75.1	-42.5	-179.7	-69.4	177.9	-7.6	0	0	111.7	I218 L219 R224 K225	I218-Q222 PolarHBondContact O-N 2.93Å; L219-Q222 PolarHBondContact O-N 3.32Å; Q222-R224 PolarHBondContact O-N 3.02Å; Q222-R224 VanDerWaalsContact O-N 3.16Å; Q222-K225 PolarHBondContact O-N 2.92Å; Q222-K225 VanDerWaalsContact O-N 3.08Å
223	R	36.3	Very low	34.7	Very low	117 Å²	117	102.9 Å²	102.9	44%	0.442	61%	0.612	S	S	.	*	G	3₁₀ helix	trans	-59.3	-27	175.6	-75.2	-172.4	177	-130	-6.4	113.9	N95 L219 K225	N95-R223 PolarHBondContact OD1-NH2 2.9Å; L219-R223 PolarHBondContact O-N 3.09Å; R223-K225 VanDerWaalsContact C-N 3.35Å
224	R	37.6	Very low	34.4	Very low	203 Å²	203	105 Å²	105	77%	0.766	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-78.1	-10.9	177.7	-99.2	-174.3	-72.2	-169.1	-0.2	114.9	Q222	Q222-R224 PolarHBondContact O-N 3.02Å; Q222-R224 VanDerWaalsContact O-N 3.16Å
225	K	36.3	Very low	34.6	Very low	190 Å²	190	109 Å²	109	83%	0.826	65%	0.651	S	S	*	*	G	3₁₀ helix	trans	-89.4	-8.1	177.5	-81.2	-167	169.5	-168.5	0	114.9	Q222 R223	Q222-K225 PolarHBondContact O-N 2.92Å; Q222-K225 VanDerWaalsContact O-N 3.08Å; R223-K225 VanDerWaalsContact C-N 3.35Å
226	L	32.8	Very low	34.1	Very low	133 Å²	133	109.2 Å²	109.2	70%	0.696	66%	0.663	S	S	*	*	S	Bend	trans	-100.4	-6.1	-174.2	-90.8	140.7	0	0	0	115.3
227	Y	35.1	Very low	33.7	Very low	221 Å²	221	113.9 Å²	113.9	87%	0.867	69%	0.693	S	S	*	*	S	Bend	trans	-128.9	43.5	-179.1	-68.3	-77.3	0	0	0	112.3
228	G	30.9	Very low	33.3	Very low	71 Å²	71	119.7 Å²	119.7	73%	0.732	71%	0.714	S	S	*	*			trans	-129.3	34.9	-168.3	0	0	0	0	0	115.6
229	A	32.1	Very low	32.6	Very low	106 Å²	106	118.6 Å²	118.6	88%	0.876	73%	0.727	S	S	*	*			trans	-149.9	119.8	171.5	0	0	0	0	0	111.1
230	G	29.9	Very low	32.2	Very low	73 Å²	73	118.4 Å²	118.4	75%	0.753	75%	0.746	S	S	*	*			trans	116.2	73.1	170.8	0	0	0	0	0	116.3
231	N	29.7	Very low	31.7	Very low	169 Å²	169	123.3 Å²	123.3	90%	0.904	77%	0.771	S	S	*	*				-177.6	136.9	106.2	-109.5	14.3	0	0	0	112.2
232	S	34.4	Very low	31.1	Very low	120 Å²	120	131.5 Å²	131.5	84%	0.839	79%	0.792	S	S	*	*			trans	-90.1	128.2	166.5	48.5	0	0	0	0	110.1
233	G	27	Very low	30.5	Very low	74 Å²	74	134.5 Å²	134.5	76%	0.763	81%	0.806	S	S	*	*			trans	177.8	110.7	174	0	0	0	0	0	116.3
234	A	28.5	Very low	30	Very low	105 Å²	105	134.7 Å²	134.7	87%	0.868	83%	0.825	S	S	*	*			trans	74.9	150.7	160.1	0	0	0	0	0	120
235	P	40.1	Very low	29.3	Very low	135 Å²	135	131.8 Å²	131.8	88%	0.877	83%	0.825	S	S	*	*			trans	-109.1	159.3	-164.8	40.3	-31.3	0	0	0	114.5
236	G	26.3	Very low	28.7	Very low	66 Å²	66	129.8 Å²	129.8	68%	0.68	83%	0.829	S	S	*	*			trans	-171.5	97.1	174.7	0	0	0	0	0	115.7
237	T	27.3	Very low	28.3	Very low	144 Å²	144	133.3 Å²	133.3	88%	0.883	84%	0.839	S	S	*	*			trans	37.7	114.5	147.6	54	0	0	0	0	120.7
238	L	29.2	Very low	27.7	Very low	184 Å²	184	127 Å²	127	96%	0.963	83%	0.833	S	S	*	*			trans	-68.3	124	163.9	-73.1	158.5	0	0	0	111.7
239	G	25.5	Very low	27.3	Very low	74 Å²	74	126.9 Å²	126.9	76%	0.763	83%	0.832	S	S	*	*			trans	-107.6	119.2	165.8	0	0	0	0	0	110.5
240	G	28.6	Very low	27	Very low	81 Å²	81	129 Å²	129	84%	0.835	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-73.5	147.2	-170.9	0	0	0	0	0	114.9
241	V	25.5	Very low	26.8	Very low	145 Å²	145	131 Å²	131	88%	0.879	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-89.6	126.9	168.9	178.8	0	0	0	0	109.2
242	R	24	Very low	26.6	Very low	235 Å²	235	129.5 Å²	129.5	89%	0.887	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-63	138.4	177	-76.9	179	164.9	-163.5	-4.6	111.7
243	Q	23	Very low	26.1	Very low	178 Å²	178	134.9 Å²	134.9	83%	0.832	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-75.2	147.5	162.7	-70.1	176	-20.2	0	0	110.8
244	S	25.4	Very low	25.8	Very low	121 Å²	121	136.8 Å²	136.8	85%	0.846	83%	0.831	S	S	*	*			trans	-126.1	125	163.2	-65.4	0	0	0	0	108.2
245	N	23.3	Very low	26.3	Very low	143 Å²	143	136.9 Å²	136.9	77%	0.765	82%	0.823	S	S	*	*			trans	-84.5	132.9	-172.4	-65.5	-28.1	0	0	0	112.9
246	T	23.8	Very low	25.5	Very low	148 Å²	148	136.5 Å²	136.5	91%	0.908	82%	0.818	S	S	*	*			trans	-164.6	105.5	131.3	7.1	0	0	0	0	112.4
247	F	24	Very low	25.4	Very low	206 Å²	206	138 Å²	138	90%	0.904	82%	0.818	S	S	*	*				174.7	137.8	123.6	-166.2	-106.4	0	0	0	108.9
248	A	23.5	Very low	25.3	Very low	90 Å²	90	135.8 Å²	135.8	74%	0.744	81%	0.809	S	S	*	*			trans	-96.7	146.4	-173.7	0	0	0	0	0	112.2
249	G	23.1	Very low	25.1	Very low	68 Å²	68	132.2 Å²	132.2	70%	0.701	80%	0.799	S	S	*	*			trans	-170.8	62.1	-176.8	0	0	0	0	0	114.3
250	T	26	Very low	25.2	Very low	150 Å²	150	134.7 Å²	134.7	92%	0.92	81%	0.805	S	S	*	*			trans	41.2	112.1	157.6	54.3	0	0	0	0	119.7
251	S	24.3	Very low	25	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	80%	0.801	S	S	*	*			trans	-83.7	151.1	169.4	40.3	0	0	0	0	113.6
252	L	25	Very low	25.1	Very low	138 Å²	138	131.7 Å²	131.7	72%	0.723	79%	0.794	S	S	*	*			trans	-136.1	105.6	158.9	-83.7	170.8	0	0	0	110.8
253	W	23.9	Very low	25.3	Very low	234 Å²	234	127.6 Å²	127.6	89%	0.886	79%	0.79	S	S	*	*			trans	55.1	114	151.2	-50.4	-38.4	0	0	0	122.8
254	S	21.6	Very low	25.7	Very low	114 Å²	114	126.9 Å²	126.9	80%	0.797	79%	0.786	S	S	*	*			trans	-86.4	-169.2	145.3	-41	0	0	0	0	109.3
255	P	38	Very low	26	Very low	106 Å²	106	129.3 Å²	129.3	69%	0.688	79%	0.79	S	S	*	*			cis	-140.9	-168	-3	37.3	-14.7	0	0	0	115.7
256	T	24.4	Very low	26.3	Very low	128 Å²	128	128.4 Å²	128.4	79%	0.785	79%	0.785	S	S	*	*			trans	67.4	151.5	152.1	41.3	0	0	0	0	119.2
257	S	25	Very low	26.5	Very low	96 Å²	96	128 Å²	128	67%	0.671	78%	0.776	S	S	*	*			cis	-168.5	151.1	-8.9	43.9	0	0	0	0	112.6
258	S	23.4	Very low	26.7	Very low	99 Å²	99	122.8 Å²	122.8	69%	0.692	77%	0.765	S	S	*	*			trans	50.8	129.5	140.2	65.6	0	0	0	0	124.5
259	S	25.1	Very low	26.9	Very low	108 Å²	108	125.5 Å²	125.5	76%	0.755	77%	0.772	S	S	*	*				96.6	159.9	129.2	80.2	0	0	0	0	122
260	S	28	Very low	27	Very low	126 Å²	126	125.7 Å²	125.7	88%	0.881	77%	0.774	S	S	*	*			trans	73.7	141	-175.6	75.3	0	0	0	0	116.9
261	G	24.9	Very low	27	Very low	73 Å²	73	122.7 Å²	122.7	75%	0.753	77%	0.773	S	S	*	*			cis	156.6	107.8	-9.9	0	0	0	0	0	114.6
262	A	28.1	Very low	27	Very low	90 Å²	90	120.8 Å²	120.8	74%	0.744	77%	0.772	S	S	*	*			trans	41.6	121.8	156.3	0	0	0	0	0	122.6
263	N	28.2	Very low	27.1	Very low	149 Å²	149	123.2 Å²	123.2	80%	0.797	78%	0.779	S	S	*	*				175.6	114.9	110.6	-90.6	-19.5	0	0	0	110.1
264	H	30	Very low	27.3	Very low	163 Å²	163	117.3 Å²	117.3	76%	0.755	77%	0.774	S	S	*	*				68.7	112.6	86	-94.4	-74.1	0	0	0	115.8
265	N	31.4	Very low	27.4	Very low	173 Å²	173	122.3 Å²	122.3	93%	0.925	78%	0.781	S	S	*	*			trans	-149.3	152.3	144.4	-104.3	-25.4	0	0	0	109.3
266	N	30.2	Very low	26.9	Very low	123 Å²	123	121.4 Å²	121.4	66%	0.658	78%	0.782	S	S	*	*			trans	-118.1	150.8	-152.4	-136.1	13	0	0	0	112.7
267	I	29.3	Very low	26.9	Very low	139 Å²	139	123.4 Å²	123.4	71%	0.713	78%	0.783	S	S	*	*				44.7	133.3	128.8	-71.3	179.7	0	0	0	118.2
268	S	27.1	Very low	26.9	Very low	97 Å²	97	126.6 Å²	126.6	68%	0.678	79%	0.787	S	S	*	*			cis	-154.1	152.9	28.2	-106.1	0	0	0	0	109.6
269	V	27.3	Very low	27	Very low	147 Å²	147	128.1 Å²	128.1	89%	0.891	79%	0.792	S	S	*	*				74.9	118.2	63.1	-176.7	0	0	0	0	116.3
270	G	26.3	Very low	27	Very low	73 Å²	73	132.1 Å²	132.1	75%	0.753	80%	0.798	S	S	*	*			trans	156.8	127.9	169.2	0	0	0	0	0	108.5
271	G	25.1	Very low	26.9	Very low	87 Å²	87	131.2 Å²	131.2	90%	0.897	79%	0.792	S	S	*	*			cis	91.7	115.5	19.2	0	0	0	0	0	110.4
272	G	24.6	Very low	27.5	Very low	74 Å²	74	133.9 Å²	133.9	76%	0.763	80%	0.796	S	S	*	*			cis	178.4	-177	-4.9	0	0	0	0	0	111.4
273	Q	27.8	Very low	27.4	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.883	80%	0.801	S	S	*	*			trans	74.2	107	163.8	-64.3	-173.5	-5.7	0	0	122.8
274	S	27.3	Very low	27.4	Very low	110 Å²	110	135 Å²	135	77%	0.769	80%	0.797	S	S	*	*				16.8	134.2	125	58.9	0	0	0	0	123.7
275	K	24.7	Very low	27.2	Very low	219 Å²	219	132.9 Å²	132.9	95%	0.952	80%	0.8	S	S	*	*				-165.4	-176.8	107.7	-143.3	169.8	176.4	179.6	0	111.2
276	A	26.6	Very low	27	Very low	86 Å²	86	128.7 Å²	128.7	71%	0.711	79%	0.79	S	S	*	*			trans	-130.6	172.9	-157.6	0	0	0	0	0	116.2
277	E	25.1	Very low	26.8	Very low	170 Å²	170	130.4 Å²	130.4	79%	0.794	80%	0.799	S	S	*	*			trans	103.7	152.9	141.5	-135.2	171.1	121.1	0	0	121.7
278	Q	25.2	Very low	26.6	Very low	164 Å²	164	133.2 Å²	133.2	77%	0.766	81%	0.807	S	S	*	*			trans	74.1	119.6	174.1	-55.9	-175.4	-4.1	0	0	116.8
279	V	25.6	Very low	27.1	Very low	130 Å²	130	134.1 Å²	134.1	79%	0.788	81%	0.81	S	S	*	*			cis	80.8	101.6	46.9	178.9	0	0	0	0	113.7
280	Q	25	Very low	27	Very low	192 Å²	192	133.1 Å²	133.1	90%	0.897	81%	0.808	S	S	*	*			trans	-174.6	154.2	132.4	-107.8	167.2	-9.1	0	0	113.9
281	S	25.7	Very low	27.1	Very low	107 Å²	107	135 Å²	135	75%	0.748	81%	0.81	S	S	*	*			trans	-119.2	163.8	164.2	-47.2	0	0	0	0	108.5
282	P	37.8	Very low	27.9	Very low	130 Å²	130	136.5 Å²	136.5	84%	0.844	80%	0.804	S	S	*	*				-145.1	170.7	118.4	33.6	-16.8	0	0	0	115.7
283	L	24.9	Very low	27.9	Very low	159 Å²	159	139.6 Å²	139.6	83%	0.832	81%	0.807	S	S	*	*			trans	-80.7	153.1	174.5	-85.5	65.3	0	0	0	112.5
284	S	28.1	Very low	28	Very low	103 Å²	103	137.5 Å²	137.5	72%	0.72	80%	0.8	S	S	*	*				160.1	132.9	109.3	-71.2	0	0	0	0	116.6
285	S	25.4	Very low	28.4	Very low	118 Å²	118	138.3 Å²	138.3	83%	0.825	80%	0.802	S	S	*	*			trans	57.8	124.5	139.2	65.3	0	0	0	0	124.6
286	A	27.2	Very low	28.5	Very low	85 Å²	85	131.9 Å²	131.9	70%	0.702	79%	0.785	S	S	*	*				126.8	120.3	118.5	0	0	0	0	0	119.8
287	N	26	Very low	28.4	Very low	159 Å²	159	136.1 Å²	136.1	85%	0.85	79%	0.794	S	S	*	*			trans	77.1	138.5	141.4	-64.9	-10	0	0	0	125.2
288	F	25.1	Very low	28.3	Very low	199 Å²	199	132.6 Å²	132.6	87%	0.873	79%	0.789	S	S	*	*			trans	-62.4	171.4	170.2	-75.5	-77.5	0	0	0	113.8
289	P	37.6	Very low	28.4	Very low	115 Å²	115	130.2 Å²	130.2	75%	0.747	79%	0.79	S	S	*	*			cis	-155	174.4	38.9	43.8	-21.3	0	0	0	122.2
290	C	25.4	Very low	28.4	Very low	127 Å²	127	128.2 Å²	128.2	86%	0.858	78%	0.782	S	S	*	*			trans	55.1	138	144.7	-71.4	0	0	0	0	125.2
291	S	29.2	Very low	28.5	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	78%	0.782	S	S	*	*			trans	-73.8	171.8	164.5	-38.7	0	0	0	0	113.3
292	P	41.4	Very low	28.5	Very low	118 Å²	118	126.7 Å²	126.7	77%	0.766	78%	0.782	S	S	*	*				-145.6	141	98.2	37.5	-20.3	0	0	0	114.6
293	V	25.7	Very low	27.9	Very low	139 Å²	139	128.8 Å²	128.8	84%	0.842	78%	0.78	S	S	*	*				94	137.6	93	176	0	0	0	0	115.7
294	M	28.9	Very low	28.1	Very low	146 Å²	146	130.4 Å²	130.4	72%	0.719	78%	0.784	S	S	*	*			trans	-64.4	171.1	176.6	-79	-106.6	-68.1	0	0	114.7
295	P	35.2	Very low	27.9	Very low	127 Å²	127	129.4 Å²	129.4	83%	0.825	78%	0.781	S	S	*	*				-139.7	149.8	93.7	34.2	-18.9	0	0	0	115.9
296	S	27.1	Very low	28	Very low	84 Å²	84	131.3 Å²	131.3	59%	0.587	78%	0.781	S	S	*	*			trans	-76.6	158.6	161.3	52	0	0	0	0	112.2
297	L	25.1	Very low	27.9	Very low	174 Å²	174	132.3 Å²	132.3	91%	0.911	78%	0.779	S	S	*	*			trans	-160	172.9	142.5	-110	165.4	0	0	0	112.2
298	S	23.1	Very low	27.9	Very low	97 Å²	97	131.9 Å²	131.9	68%	0.678	78%	0.775	S	S	*	*			trans	-131.6	176.1	-152.9	-48.7	0	0	0	0	113.2
299	S	26.5	Very low	27.8	Very low	114 Å²	114	128.9 Å²	128.9	80%	0.797	77%	0.768	S	S	*	*			trans	77.1	158.3	164.8	92.9	0	0	0	0	115.5
300	S	26	Very low	27.2	Very low	87 Å²	87	126.6 Å²	126.6	61%	0.608	77%	0.766	S	S	*	*			cis	-176.5	150.9	-20.9	47.7	0	0	0	0	111.6
301	H	26.4	Very low	27.2	Very low	194 Å²	194	128.2 Å²	128.2	90%	0.898	76%	0.76	S	S	*	*			trans	59.2	147.2	157.8	-69.8	97.1	0	0	0	120.4
302	G	25.4	Very low	27	Very low	74 Å²	74	130.2 Å²	130.2	76%	0.763	76%	0.762	S	S	*	*			trans	146.8	109.4	162	0	0	0	0	0	114.5
303	H	26.7	Very low	26.3	Very low	173 Å²	173	130.8 Å²	130.8	80%	0.801	76%	0.759	S	S	*	*			trans	-98.7	144	173.3	-66.2	-115.3	0	0	0	110.6
304	H	27.7	Very low	26.4	Very low	194 Å²	194	130.9 Å²	130.9	90%	0.898	75%	0.754	S	S	*	*				175.9	169.3	115.6	-105.1	-94.3	0	0	0	112.1
305	A	25.5	Very low	26.3	Very low	81 Å²	81	130.9 Å²	130.9	67%	0.669	76%	0.757	S	S	*	*			trans	-117.9	-171.3	-166.3	0	0	0	0	0	113.3
306	L	26.1	Very low	25.8	Very low	159 Å²	159	135.2 Å²	135.2	83%	0.832	76%	0.757	S	S	*	*			trans	86.9	141.7	173.7	-53.7	176.8	0	0	0	115.6
307	T	25.3	Very low	25.8	Very low	106 Å²	106	137.2 Å²	137.2	65%	0.65	77%	0.768	S	S	*	*			cis	-174.6	150.1	-35.5	13.1	0	0	0	0	108.8
308	I	25.9	Very low	25.7	Very low	150 Å²	150	132.3 Å²	132.3	77%	0.769	76%	0.759	S	S	*	*			trans	70.2	140.6	147.3	-70.5	167.6	0	0	0	116.4
309	N	23.2	Very low	25.9	Very low	136 Å²	136	134.7 Å²	134.7	73%	0.727	77%	0.77	S	S	*	*			cis	-155.2	175	6	-137.2	-3.4	0	0	0	113.7
310	G	24.5	Very low	25.9	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	77%	0.772	S	S	*	*			trans	114.3	77.2	156.8	0	0	0	0	0	115.8
311	Q	25.8	Very low	25.8	Very low	160 Å²	160	145.6 Å²	145.6	75%	0.748	79%	0.788	S	S	*	*				63.1	103.9	72.6	-69.9	-170.1	-23.6	0	0	117.3
312	N	25.8	Very low	25.7	Very low	154 Å²	154	143.5 Å²	143.5	82%	0.824	78%	0.782	S	S	*	*				-164.7	118.6	126.2	-89.5	-32	0	0	0	107.3
313	N	26.1	Very low	25.9	Very low	131 Å²	131	145.5 Å²	145.5	70%	0.701	78%	0.784	S	S	*	*				56.4	133	68.4	-82.6	-12.3	0	0	0	112.7
314	L	27.5	Very low	25.9	Very low	140 Å²	140	145.5 Å²	145.5	73%	0.733	79%	0.786	S	S	*	*			cis	-156.5	165.2	1.4	-91.4	152.2	0	0	0	106.5
315	N	26.4	Very low	25.7	Very low	146 Å²	146	139.2 Å²	139.2	78%	0.781	78%	0.775	S	S	*	*			cis	-154.1	-174.8	0.6	-149.9	-19.5	0	0	0	110.4
316	R	25.2	Very low	25.7	Very low	218 Å²	218	142.6 Å²	142.6	82%	0.823	79%	0.787	S	S	*	*			trans	-139.3	132.2	162.3	178.1	-178.9	-177.9	173.1	1.9	108.9	G318	R316-G318 PolarHBondContact O-N 2.92Å
317	P	27.3	Very low	25.7	Very low	127 Å²	127	141.2 Å²	141.2	83%	0.825	79%	0.785	S	S	*	*			trans	-64.5	126.7	177.1	-20.8	32.8	0	0	0	111.3
318	G	24	Very low	26.3	Very low	71 Å²	71	148 Å²	148	73%	0.732	80%	0.799	S	S	*	*			trans	-87.2	159.8	168.1	0	0	0	0	0	111.4	R316	R316-G318 PolarHBondContact O-N 2.92Å
319	T	27.1	Very low	26.4	Very low	147 Å²	147	144.4 Å²	144.4	90%	0.902	80%	0.798	S	S	*	*			trans	-136.2	143.9	160.8	-45.3	0	0	0	0	108.3
320	Q	26.6	Very low	26.9	Very low	178 Å²	178	142.1 Å²	142.1	83%	0.832	80%	0.799	S	S	*	*			trans	-79.7	151.2	-151.5	-66	165.1	-21.8	0	0	113.6	I322	Q320-I322 PolarHBondContact O-N 3.03Å
321	R	24.4	Very low	27.5	Very low	252 Å²	252	144.1 Å²	144.1	95%	0.951	79%	0.792	S	S	*	*			trans	-64.5	115.3	156.9	-91.4	-179.8	165.1	-176.2	-4.1	108.6
322	I	24.5	Very low	27.8	Very low	149 Å²	149	140.5 Å²	140.5	76%	0.764	78%	0.783	S	S	*	*			trans	-90.8	127.7	149.6	-64.9	177.2	0	0	0	106.8	Q320 M324	Q320-I322 PolarHBondContact O-N 3.03Å; I322-M324 PolarHBondContact O-N 2.74Å
323	S	27.6	Very low	28.1	Very low	116 Å²	116	139.9 Å²	139.9	81%	0.811	79%	0.787	S	S	*	*			trans	-79.4	114.9	176.1	-170.3	0	0	0	0	109.4
324	M	26.8	Very low	28.8	Very low	173 Å²	173	137.3 Å²	137.3	85%	0.852	79%	0.791	S	S	*	*			trans	-117.8	128.8	157.8	-69.1	-160.5	77.4	0	0	108.1	I322	I322-M324 PolarHBondContact O-N 2.74Å
325	G	23.7	Very low	29.3	Very low	63 Å²	63	132.4 Å²	132.4	65%	0.649	77%	0.767	S	S	*	*			trans	-62.9	143.5	-171.8	0	0	0	0	0	112.7	T327	G325-T327 PolarHBondContact O-N 2.77Å
326	T	26.7	Very low	29.8	Very low	152 Å²	152	128.9 Å²	128.9	93%	0.933	75%	0.752	S	S	*	*			trans	-70.2	76.2	173.3	14	0	0	0	0	111.2	R328	T326-R328 PolarHBondContact O-N 2.92Å
327	T	24.7	Very low	30.6	Very low	129 Å²	129	120.7 Å²	120.7	79%	0.791	73%	0.732	S	S	*	*			trans	-66.3	125.7	156	44.5	0	0	0	0	108.2	G325 G329	G325-T327 PolarHBondContact O-N 2.77Å; T327-G329 VanDerWaalsContact C-N 3.34Å; T327-G329 PolarHBondContact O-N 2.87Å
328	R	38.4	Very low	31	Very low	250 Å²	250	118 Å²	118	94%	0.943	71%	0.71	S	S	*	*			trans	-65.4	96	169.6	-82.5	178.4	168	169.9	-4	108.2	T326 A330	T326-R328 PolarHBondContact O-N 2.92Å; R328-A330 PolarHBondContact O-N 2.91Å
329	G	27.7	Very low	31.8	Very low	73 Å²	73	118.5 Å²	118.5	75%	0.753	70%	0.7	S	S	*	*			trans	-64.1	96.7	169.2	0	0	0	0	0	110.1	T327	T327-G329 VanDerWaalsContact C-N 3.34Å; T327-G329 PolarHBondContact O-N 2.87Å
330	A	33.9	Very low	32.5	Very low	89 Å²	89	114.4 Å²	114.4	74%	0.736	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-63	134.5	167.3	0	0	0	0	0	108.9	R328 P332	R328-A330 PolarHBondContact O-N 2.91Å; A330-P332 WeakPolarHBondContact O-CD 3.24Å
331	I	37.1	Very low	33	Very low	108 Å²	108	114.2 Å²	114.2	55%	0.554	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-65.3	123.2	171.9	-57.7	174.8	0	0	0	106.9	V335	I331-V335 HydrophobicContact CG2-CB 3.98Å; I331-V335 HydrophobicContact CG2-CG2 4.33Å
332	P	31.6	Very low	33.5	Very low	84 Å²	84	108.1 Å²	108.1	55%	0.545	66%	0.657	S	S	.	*	P	Polyproline II helix	trans	-64.2	145.4	178.7	24.2	-31.2	0	0	0	110.4	A330 G334 V335	A330-P332 WeakPolarHBondContact O-CD 3.24Å; P332-G334 PolarHBondContact O-N 2.89Å; P332-V335 HydrophobicContact CG-CG2 3.91Å
333	P	32.7	Very low	34.1	Very low	141 Å²	141	106.4 Å²	106.4	92%	0.916	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	125.5	178.8	-22.4	33	0	0	0	111.1
334	G	40.9	Very low	34.8	Very low	77 Å²	77	107.4 Å²	107.4	79%	0.794	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	115.4	-5.1	174.5	0	0	0	0	0	116.7	P332 P336	P332-G334 PolarHBondContact O-N 2.89Å; G334-P336 WeakPolarHBondContact O-CD 3.32Å
335	V	37.5	Very low	35.3	Very low	38 Å²	38	102.4 Å²	102.4	23%	0.23	64%	0.643	C	S	.	*			trans	-82.1	118.5	178.6	-177.6	0	0	0	0	111.6	I331 P332 A337 P367	I331-V335 HydrophobicContact CG2-CB 3.98Å; I331-V335 HydrophobicContact CG2-CG2 4.33Å; P332-V335 HydrophobicContact CG-CG2 3.91Å; V335-A337 PolarHBondContact O-N 3.45Å; V335-P367 HydrophobicContact CG1-CB 4.34Å; V335-P367 HydrophobicContact CG1-CG 4.17Å; V335-P367 WeakPolarHBondContact CG1-O 3.38Å; V335-P367 HydrophobicContact CG2-CG 4.01Å
336	P	36.8	Very low	36.2	Very low	71 Å²	71	105.9 Å²	105.9	46%	0.461	66%	0.657	S	S	.	*			trans	-72.6	127	177.7	-15.5	31.2	0	0	0	111.8	G334	G334-P336 WeakPolarHBondContact O-CD 3.32Å
337	A	42.4	Very low	37.1	Very low	47 Å²	47	100.4 Å²	100.4	39%	0.388	63%	0.631	S	S	.	*	B	Isolated β-bridge	trans	-104.4	126.2	174.4	0	0	0	0	0	111.5	V335 C369 T371	V335-A337 PolarHBondContact O-N 3.45Å; A337-C369 WeakPolarHBondContact CA-O 3.38Å; A337-C369 WeakPolarHBondContact CB-O 3.3Å; A337-T371 HydrophobicContact CB-CG2 4.01Å; A337-T371 WeakPolarHBondContact CB-OG1 3.46Å
338	L	35.4	Very low	38	Very low	71 Å²	71	99.9 Å²	99.9	37%	0.372	63%	0.63	S	S	.	*			trans	-106.3	126.1	-176.3	-70.3	176.7	0	0	0	111.7	M361 V368 C369 L370 T371	L338-M361 HydrophobicContact CD1-CE 4.3Å; L338-V368 HydrophobicContact CD1-CG1 4.2Å; L338-V368 HydrophobicContact CG-CG1 4.47Å; L338-C369 PolarHBondContact N-O 2.67Å; L338-L370 HydrophobicContact CB-CD2 4.04Å; L338-L370 WeakPolarHBondContact O-CA 3.44Å; L338-T371 PolarHBondContact O-N 2.88Å
339	P	40.7	Very low	38.3	Very low	81 Å²	81	93.5 Å²	93.5	53%	0.526	62%	0.619	S	S	.	*			trans	-85.1	118.6	-177	31.6	-33.7	0	0	0	113.7	T371	P339-T371 VanDerWaalsContact CA-O 3.27Å; P339-T371 WeakPolarHBondContact CA-O 3.24Å
340	V	41.9	Very low	38.9	Very low	60 Å²	60	96 Å²	96	36%	0.364	61%	0.61	S	S	.	*			trans	-83.3	114.8	168.9	-173.6	0	0	0	0	109.2	L343 L370	V340-L343 HydrophobicContact CG1-CD1 4.35Å; V340-L370 HydrophobicContact CG2-CB 4.35Å; V340-L370 HydrophobicContact CG2-CD1 4.17Å; V340-L370 HydrophobicContact CG2-CD2 4.1Å; V340-L370 HydrophobicContact CG2-CG 4.44Å
341	K	36.7	Very low	39.6	Very low	175 Å²	175	95.4 Å²	95.4	76%	0.761	60%	0.599	S	S	*	*			trans	-87.4	123.7	176	-81.9	-176	172.4	-178.3	0	111.2
342	N	36.5	Very low	39.9	Very low	124 Å²	124	92.8 Å²	92.8	66%	0.663	59%	0.594	S	S	*	*			trans	40.7	83.7	163	-65.7	-15.4	0	0	0	117.9	T344	N342-T344 PolarHBondContact O-N 3.08Å
343	L	36.9	Very low	40.5	Very low	112 Å²	112	93.5 Å²	93.5	59%	0.586	59%	0.592	S	S	*	*			trans	-83.6	100.5	154.1	-68.8	165.1	0	0	0	109.1	V340 H350	V340-L343 HydrophobicContact CG1-CD1 4.35Å; L343-H350 HydrophobicContact CD2-CB 4.19Å
344	T	41.4	Very low	41.1	Very low	138 Å²	138	88.5 Å²	88.5	85%	0.847	56%	0.563	S	S	*	*			trans	-130.3	71	165.8	50.1	0	0	0	0	108.7	N342	N342-T344 PolarHBondContact O-N 3.08Å
345	G	38	Very low	41.6	Very low	67 Å²	67	86.5 Å²	86.5	69%	0.691	54%	0.542	S	S	*	.	S	Bend	trans	-170.7	121.3	177.5	0	0	0	0	0	109.8	G347	G345-G347 PolarHBondContact O-N 3.39Å
346	S	42.5	Very low	42.2	Very low	136 Å²	136	89.6 Å²	89.6	95%	0.951	56%	0.555	S	S	*	*			trans	-81.5	87	178.3	52.5	0	0	0	0	110.2
347	G	46.3	Very low	42.8	Very low	37 Å²	37	89.8 Å²	89.8	38%	0.381	56%	0.555	S	S	.	*			trans	-145.1	135.2	175.2	0	0	0	0	0	111.4	G345 V349	G345-G347 PolarHBondContact O-N 3.39Å; G347-V349 PolarHBondContact O-N 2.99Å; G347-V349 VanDerWaalsContact O-N 3.16Å
348	P	43.7	Very low	43.1	Very low	119 Å²	119	88.6 Å²	88.6	77%	0.773	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-10.1	-169.7	28.3	-35.6	0	0	0	114.6
349	V	43.4	Very low	43.9	Very low	116 Å²	116	90.9 Å²	90.9	70%	0.703	56%	0.559	S	S	*	*	H	α-helix	trans	-83.5	-25.4	-169	-154.5	0	0	0	0	113.5	G347	G347-V349 PolarHBondContact O-N 2.99Å; G347-V349 VanDerWaalsContact O-N 3.16Å
350	H	40.5	Very low	44.2	Very low	125 Å²	125	93.4 Å²	93.4	58%	0.579	57%	0.567	S	S	*	*	H	α-helix	trans	-85.2	-34.6	-176.5	-92.4	-74.9	0	0	0	116.5	L343 A352 L353 A354	L343-H350 HydrophobicContact CD2-CB 4.19Å; H350-A352 PolarHBondContact O-N 3.49Å; H350-L353 PolarHBondContact O-N 3.38Å; H350-A354 PolarHBondContact O-N 2.75Å
351	P	48.4	Very low	44.5	Very low	77 Å²	77	94.9 Å²	94.9	50%	0.5	57%	0.571	S	S	.	*	H	α-helix	trans	-59.5	-36	172.8	-25.2	35.3	0	0	0	112.5	L353 A354 G355	P351-L353 PolarHBondContact O-N 2.84Å; P351-A354 PolarHBondContact O-N 2.96Å; P351-G355 PolarHBondContact O-N 3.07Å
352	A	43	Very low	45	Very low	53 Å²	53	90.1 Å²	90.1	44%	0.438	56%	0.559	S	S	.	*	H	α-helix	trans	-60.2	-41.4	176.6	0	0	0	0	0	112.5	H350 G355 M356	H350-A352 PolarHBondContact O-N 3.49Å; A352-G355 PolarHBondContact O-N 3.13Å; A352-M356 WeakPolarHBondContact O-CB 3.29Å; A352-M356 WeakPolarHBondContact O-CG 3.46Å; A352-M356 PolarHBondContact O-N 2.72Å
353	L	44.8	Very low	45.4	Very low	99 Å²	99	88.4 Å²	88.4	52%	0.518	56%	0.562	S	S	.	*	H	α-helix	trans	-68.5	-37.5	-179.9	-166	67.8	0	0	0	112.6	H350 P351 M356 T357	H350-L353 PolarHBondContact O-N 3.38Å; P351-L353 PolarHBondContact O-N 2.84Å; L353-M356 HydrophobicContact CD1-CE 3.91Å; L353-T357 PolarHBondContact O-N 2.98Å; L353-T357 VanDerWaalsContact O-N 3.09Å; L353-T357 PolarHBondContact O-OG1 3.05Å
354	A	46.1	Very low	46	Very low	35 Å²	35	86.7 Å²	86.7	29%	0.289	56%	0.564	S	S	.	*	H	α-helix	trans	-67.8	-40.5	172.2	0	0	0	0	0	111.6	H350 P351 T357 G358	H350-A354 PolarHBondContact O-N 2.75Å; P351-A354 PolarHBondContact O-N 2.96Å; A354-T357 PolarHBondContact O-N 3.05Å; A354-G358 PolarHBondContact O-N 2.72Å
355	G	50.7	Low	46	Very low	35 Å²	35	83.3 Å²	83.3	36%	0.361	56%	0.557	S	S	.	*	H	α-helix	trans	-60	-49.2	173.1	0	0	0	0	0	112.6	P351 A352 T357 G358 I359	P351-G355 PolarHBondContact O-N 3.07Å; A352-G355 PolarHBondContact O-N 3.13Å; G355-T357 VanDerWaalsContact C-N 3.31Å; G355-T357 PolarHBondContact O-N 3.33Å; G355-G358 PolarHBondContact O-N 2.91Å; G355-G358 VanDerWaalsContact O-N 3.1Å; G355-I359 VanDerWaalsContact O-CG1 3.28Å; G355-I359 WeakPolarHBondContact O-CG1 3.15Å; G355-I359 PolarHBondContact O-N 3.19Å
356	M	49.5	Very low	46.3	Very low	103 Å²	103	84.9 Å²	84.9	51%	0.507	55%	0.549	S	S	.	.	H	α-helix	trans	-61.3	-37.5	177.2	-71.9	-173.9	-62.9	0	0	112.5	A352 L353 G358 I359 L360	A352-M356 WeakPolarHBondContact O-CB 3.29Å; A352-M356 WeakPolarHBondContact O-CG 3.46Å; A352-M356 PolarHBondContact O-N 2.72Å; L353-M356 HydrophobicContact CD1-CE 3.91Å; M356-G358 VanDerWaalsContact C-N 3.34Å; M356-I359 PolarHBondContact O-N 3.43Å; M356-L360 WeakPolarHBondContact O-CB 3.41Å; M356-L360 VanDerWaalsContact O-CG 3.3Å; M356-L360 WeakPolarHBondContact O-CG 3.42Å; M356-L360 PolarHBondContact O-N 2.93Å
357	T	50.7	Low	46.2	Very low	75 Å²	75	82.3 Å²	82.3	46%	0.46	53%	0.529	S	S	.	.	H	α-helix	trans	-66.6	-36.5	175.1	-51.7	0	0	0	0	111.8	L353 A354 G355 M361	L353-T357 PolarHBondContact O-N 2.98Å; L353-T357 VanDerWaalsContact O-N 3.09Å; L353-T357 PolarHBondContact O-OG1 3.05Å; A354-T357 PolarHBondContact O-N 3.05Å; G355-T357 VanDerWaalsContact C-N 3.31Å; G355-T357 PolarHBondContact O-N 3.33Å; T357-M361 VanDerWaalsContact O-CG 3.24Å; T357-M361 WeakPolarHBondContact O-CG 3.47Å; T357-M361 PolarHBondContact O-N 2.91Å
358	G	47.9	Very low	46	Very low	22 Å²	22	82.4 Å²	82.4	23%	0.227	52%	0.522	C	S	.	.	H	α-helix	trans	-67	-46.6	172.2	0	0	0	0	0	112.7	A354 G355 M356 L360 M361 C362	A354-G358 PolarHBondContact O-N 2.72Å; G355-G358 PolarHBondContact O-N 2.91Å; G355-G358 VanDerWaalsContact O-N 3.1Å; M356-G358 VanDerWaalsContact C-N 3.34Å; G358-L360 PolarHBondContact O-N 3.34Å; G358-M361 PolarHBondContact O-N 3.06Å; G358-M361 VanDerWaalsContact O-N 3.17Å; G358-C362 PolarHBondContact O-N 2.96Å; G358-C362 PolarHBondContact O-SG 3.39Å
359	I	51.7	Low	46.1	Very low	119 Å²	119	79.4 Å²	79.4	61%	0.61	50%	0.503	S	S	*	.	H	α-helix	trans	-62	-43.8	-179.7	-68.4	162.5	0	0	0	111.3	G355 M356 M361 C362 A363	G355-I359 VanDerWaalsContact O-CG1 3.28Å; G355-I359 WeakPolarHBondContact O-CG1 3.15Å; G355-I359 PolarHBondContact O-N 3.19Å; M356-I359 PolarHBondContact O-N 3.43Å; I359-M361 VanDerWaalsContact C-N 3.25Å; I359-M361 PolarHBondContact O-N 3.1Å; I359-C362 PolarHBondContact O-N 3.14Å; I359-A363 PolarHBondContact O-N 2.87Å
360	L	48.6	Very low	46	Very low	135 Å²	135	78.5 Å²	78.5	71%	0.707	49%	0.494	S	S	*	.	H	α-helix	trans	-63	-29.3	176.8	-75.7	167	0	0	0	113.3	M356 G358	M356-L360 WeakPolarHBondContact O-CB 3.41Å; M356-L360 VanDerWaalsContact O-CG 3.3Å; M356-L360 WeakPolarHBondContact O-CG 3.42Å; M356-L360 PolarHBondContact O-N 2.93Å; G358-L360 PolarHBondContact O-N 3.34Å
361	M	47.5	Very low	46.2	Very low	91 Å²	91	75.5 Å²	75.5	45%	0.448	49%	0.485	S	S	.	.	H	α-helix	trans	-85.9	-32.7	177.1	-64	-79	-83.4	0	0	112	L338 T357 G358 I359 A363 A364 V368	L338-M361 HydrophobicContact CD1-CE 4.3Å; T357-M361 VanDerWaalsContact O-CG 3.24Å; T357-M361 WeakPolarHBondContact O-CG 3.47Å; T357-M361 PolarHBondContact O-N 2.91Å; G358-M361 PolarHBondContact O-N 3.06Å; G358-M361 VanDerWaalsContact O-N 3.17Å; I359-M361 VanDerWaalsContact C-N 3.25Å; I359-M361 PolarHBondContact O-N 3.1Å; M361-A363 VanDerWaalsContact C-N 3.29Å; M361-A363 PolarHBondContact O-N 3.34Å; M361-A364 PolarHBondContact O-N 3.1Å; M361-V368 HydrophobicContact CB-CG2 3.76Å
362	C	46.5	Very low	46	Very low	74 Å²	74	80.1 Å²	80.1	50%	0.5	49%	0.492	S	S	.	.	H	α-helix	trans	-66	-29.3	169.9	-74.8	0	0	0	0	112.8	G358 I359 A364 G365	G358-C362 PolarHBondContact O-N 2.96Å; G358-C362 PolarHBondContact O-SG 3.39Å; I359-C362 PolarHBondContact O-N 3.14Å; C362-A364 PolarHBondContact O-N 3.44Å; C362-A364 VanDerWaalsContact O-N 3.14Å; C362-G365 PolarHBondContact O-N 3.27Å
363	A	45.6	Very low	46.2	Very low	89 Å²	89	79.9 Å²	79.9	74%	0.736	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-16.3	174.2	0	0	0	0	0	113.8	I359 M361	I359-A363 PolarHBondContact O-N 2.87Å; M361-A363 VanDerWaalsContact C-N 3.29Å; M361-A363 PolarHBondContact O-N 3.34Å
364	A	49.9	Very low	46.7	Very low	75 Å²	75	80.5 Å²	80.5	62%	0.62	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	9.3	171.6	0	0	0	0	0	113.8	M361 C362 L366	M361-A364 PolarHBondContact O-N 3.1Å; C362-A364 PolarHBondContact O-N 3.44Å; C362-A364 VanDerWaalsContact O-N 3.14Å; A364-L366 VanDerWaalsContact C-N 3.27Å; A364-L366 PolarHBondContact O-N 3.42Å
365	G	41.6	Very low	47.5	Very low	67 Å²	67	85.2 Å²	85.2	69%	0.691	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	9	176.6	0	0	0	0	0	115.4	C362	C362-G365 PolarHBondContact O-N 3.27Å
366	L	42.8	Very low	48.5	Very low	101 Å²	101	86.4 Å²	86.4	53%	0.529	52%	0.515	S	S	.	.			trans	-97.3	131.4	179.7	-67.5	173.1	0	0	0	111.2	A364	A364-L366 VanDerWaalsContact C-N 3.27Å; A364-L366 PolarHBondContact O-N 3.42Å
367	P	40.4	Very low	50	Low	81 Å²	81	85.7 Å²	85.7	53%	0.526	51%	0.512	S	S	.	.			trans	-66.6	137.5	168.3	28.2	-32.8	0	0	0	109.8	V335	V335-P367 HydrophobicContact CG1-CB 4.34Å; V335-P367 HydrophobicContact CG1-CG 4.17Å; V335-P367 WeakPolarHBondContact CG1-O 3.38Å; V335-P367 HydrophobicContact CG2-CG 4.01Å
368	V	43.4	Very low	51.4	Low	40 Å²	40	85.6 Å²	85.6	24%	0.242	51%	0.508	C	S	.	.			trans	-127.2	125.1	177.6	-175	0	0	0	0	109.3	L338 M361	L338-V368 HydrophobicContact CD1-CG1 4.2Å; L338-V368 HydrophobicContact CG-CG1 4.47Å; M361-V368 HydrophobicContact CB-CG2 3.76Å
369	C	45.1	Very low	53.2	Low	56 Å²	56	90 Å²	90	38%	0.378	52%	0.523	S	S	.	.	B	Isolated β-bridge	trans	-111.2	117.3	179.4	-164.4	0	0	0	0	110.3	A337 L338 T371	A337-C369 WeakPolarHBondContact CA-O 3.38Å; A337-C369 WeakPolarHBondContact CB-O 3.3Å; L338-C369 PolarHBondContact N-O 2.67Å; C369-T371 PolarHBondContact O-N 2.85Å
370	L	40.8	Very low	54.8	Low	97 Å²	97	85.1 Å²	85.1	51%	0.508	50%	0.499	S	S	.	.			trans	-82.1	103.9	179.4	-62.3	177.7	0	0	0	110	L338 V340	L338-L370 HydrophobicContact CB-CD2 4.04Å; L338-L370 WeakPolarHBondContact O-CA 3.44Å; V340-L370 HydrophobicContact CG2-CB 4.35Å; V340-L370 HydrophobicContact CG2-CD1 4.17Å; V340-L370 HydrophobicContact CG2-CD2 4.1Å; V340-L370 HydrophobicContact CG2-CG 4.44Å
371	T	44.6	Very low	56.6	Low	62 Å²	62	81.8 Å²	81.8	38%	0.38	49%	0.486	S	S	.	.			trans	-108.3	134.9	-178.6	60.9	0	0	0	0	112	A337 L338 P339 C369	A337-T371 HydrophobicContact CB-CG2 4.01Å; A337-T371 WeakPolarHBondContact CB-OG1 3.46Å; L338-T371 PolarHBondContact O-N 2.88Å; P339-T371 VanDerWaalsContact CA-O 3.27Å; P339-T371 WeakPolarHBondContact CA-O 3.24Å; C369-T371 PolarHBondContact O-N 2.85Å
372	R	43.9	Very low	58.4	Low	174 Å²	174	83.8 Å²	83.8	66%	0.657	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-72.7	135.8	-179.7	-167	178.3	-168.9	161.6	8	110
373	A	47.5	Very low	60.2	Low	47 Å²	47	81.7 Å²	81.7	39%	0.388	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-55.1	135.2	174	0	0	0	0	0	111	K375	A373-K375 PolarHBondContact O-N 2.96Å
374	P	54.9	Low	61.9	Low	112 Å²	112	82.6 Å²	82.6	73%	0.727	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-63.6	134.8	-177.3	25.6	-33.5	0	0	0	110.5
375	K	64.1	Low	63.4	Low	135 Å²	135	88.1 Å²	88.1	59%	0.587	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-90.8	145.9	174.9	-66.7	-176.5	176	-173.5	0	109.7	A373 I377	A373-K375 PolarHBondContact O-N 2.96Å; K375-I377 PolarHBondContact O-N 2.78Å
376	P	71	Confident	65.2	Low	59 Å²	59	89.3 Å²	89.3	38%	0.383	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-61.8	130.4	171.2	25.9	-33.5	0	0	0	110.5	L378 S608 L610	P376-L378 VanDerWaalsContact C-N 3.34Å; P376-L378 HydrophobicContact CB-CD2 4.32Å; P376-L378 HydrophobicContact CB-CG 4.39Å; P376-L378 PolarHBondContact O-N 2.83Å; P376-S608 WeakPolarHBondContact CA-OG 3.14Å; P376-L610 HydrophobicContact CB-CB 4.32Å; P376-L610 HydrophobicContact CB-CD1 4.2Å
377	I	80.7	Confident	67.1	Low	88 Å²	88	87.1 Å²	87.1	45%	0.451	48%	0.478	S	S	.	.			trans	-91.3	75.5	178.1	-54.6	178.5	0	0	0	107.5	K375 H379 F606 G607 S608	K375-I377 PolarHBondContact O-N 2.78Å; I377-H379 VanDerWaalsContact C-N 3.25Å; I377-H379 WeakPolarHBondContact CG2-O 3.29Å; I377-H379 PolarHBondContact O-N 3.44Å; I377-F606 PolarHBondContact O-N 3.33Å; I377-G607 PolarHBondContact O-N 2.78Å; I377-S608 PolarHBondContact N-OG 2.94Å
378	L	81.4	Confident	69.3	Low	73 Å²	73	85.8 Å²	85.8	38%	0.382	47%	0.465	S	S	.	.			trans	-64.1	-30.2	-177	-63.3	173.9	0	0	0	113	P376 Y557 E605 F606	P376-L378 VanDerWaalsContact C-N 3.34Å; P376-L378 HydrophobicContact CB-CD2 4.32Å; P376-L378 HydrophobicContact CB-CG 4.39Å; P376-L378 PolarHBondContact O-N 2.83Å; L378-Y557 PolarHBondContact O-OH 3.36Å; L378-E605 HydrophobicContact CD2-CB 4.14Å; L378-E605 HydrophobicContact CD2-CG 4.06Å; L378-F606 PolarHBondContact O-N 3.43Å
379	H	85.3	Confident	71.5	Confident	114 Å²	114	89.8 Å²	89.8	53%	0.528	48%	0.48	S	S	.	.	S	Bend	trans	-123.1	147.9	-175	-58.5	-58.4	0	0	0	111.4	I377	I377-H379 VanDerWaalsContact C-N 3.25Å; I377-H379 WeakPolarHBondContact CG2-O 3.29Å; I377-H379 PolarHBondContact O-N 3.44Å
380	P	85.2	Confident	73.7	Confident	17 Å²	17	90.9 Å²	90.9	11%	0.11	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-61	164.8	168.1	28.3	-36.4	0	0	0	111.3	I383 I512 Y557 F606	P380-I383 HydrophobicContact CB-CD1 4.21Å; P380-I383 HydrophobicContact CG-CD1 3.77Å; P380-I512 HydrophobicContact CB-CD1 3.83Å; P380-I512 HydrophobicContact CG-CD1 3.78Å; P380-Y557 WeakPolarHBondContact CD-OH 3.27Å; P380-Y557 HydrophobicContact CG-CE1 4.35Å; P380-F606 HydrophobicContact CB-CD1 4Å; P380-F606 HydrophobicContact CB-CD2 3.97Å; P380-F606 HydrophobicContact CB-CE1 4.01Å; P380-F606 HydrophobicContact CB-CE2 3.96Å; P380-F606 HydrophobicContact CB-CG 4Å; P380-F606 HydrophobicContact CB-CZ 4.01Å; P380-F606 HydrophobicContact CG-CD2 4.43Å
381	P	85.6	Confident	76.1	Confident	66 Å²	66	86.4 Å²	86.4	43%	0.429	46%	0.462	S	S	.	.	S	Bend	trans	-50.4	158.7	165.8	-24.2	33.9	0	0	0	112.2	I383	P381-I383 WeakPolarHBondContact O-CG1 3.39Å; P381-I383 PolarHBondContact O-N 2.92Å
382	P	85.2	Confident	78.2	Confident	133 Å²	133	86.7 Å²	86.7	86%	0.864	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-54.7	136	177.4	-25.9	35.3	0	0	0	112.6
383	I	84.4	Confident	80	Confident	30 Å²	30	81.6 Å²	81.6	15%	0.154	47%	0.467	C	S	.	.			trans	-126.3	127.3	-172.3	-41.4	171.8	0	0	0	108.7	P380 P381 D387 M388 I512 P513	P380-I383 HydrophobicContact CB-CD1 4.21Å; P380-I383 HydrophobicContact CG-CD1 3.77Å; P381-I383 WeakPolarHBondContact O-CG1 3.39Å; P381-I383 PolarHBondContact O-N 2.92Å; I383-D387 HydrophobicContact CG2-CB 4.09Å; I383-M388 HydrophobicContact CB-CE 4.12Å; I383-M388 HydrophobicContact CG2-CE 4.14Å; I383-M388 HydrophobicContact CG2-CG 4.25Å; I383-I512 HydrophobicContact CD1-CB 3.72Å; I383-I512 HydrophobicContact CD1-CD1 3.85Å; I383-I512 HydrophobicContact CD1-CG1 4.38Å; I383-I512 HydrophobicContact CD1-CG2 3.55Å; I383-P513 HydrophobicContact CG2-CG 4.36Å
384	N	82.9	Confident	81.8	Confident	107 Å²	107	80.3 Å²	80.3	57%	0.572	45%	0.453	S	S	*	.			trans	-76.4	154.6	173.8	-55.9	-63	0	0	0	110.7	S386 D387	N384-S386 WeakPolarHBondContact CB-OG 3.48Å; N384-S386 PolarHBondContact O-N 2.93Å; N384-D387 VanDerWaalsContact CB-OD2 3.31Å; N384-D387 WeakPolarHBondContact CB-OD2 3.38Å; N384-D387 PolarHBondContact N-OD2 3.01Å; N384-D387 PolarHBondContact ND2-OD2 3.41Å; N384-D387 PolarHBondContact O-N 2.88Å
385	K	80.6	Confident	83	Confident	191 Å²	191	82 Å²	82	83%	0.83	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-61.5	-29.2	177.2	-67.8	-179.7	179.7	175.4	0	112.6	D387	K385-D387 PolarHBondContact O-N 3.44Å
386	S	79.9	Confident	83.8	Confident	92 Å²	92	77.8 Å²	77.8	64%	0.643	45%	0.452	S	S	*	.	G	3₁₀ helix	trans	-61.2	-28.9	173.6	48.3	0	0	0	0	113.8	N384	N384-S386 WeakPolarHBondContact CB-OG 3.48Å; N384-S386 PolarHBondContact O-N 2.93Å
387	D	82.4	Confident	84.1	Confident	56 Å²	56	79.7 Å²	79.7	30%	0.299	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-92.7	-8.6	-168.7	-44.4	-24.7	0	0	0	111.4	I383 N384 K385 P513	I383-D387 HydrophobicContact CG2-CB 4.09Å; N384-D387 VanDerWaalsContact CB-OD2 3.31Å; N384-D387 WeakPolarHBondContact CB-OD2 3.38Å; N384-D387 PolarHBondContact N-OD2 3.01Å; N384-D387 PolarHBondContact ND2-OD2 3.41Å; N384-D387 PolarHBondContact O-N 2.88Å; K385-D387 PolarHBondContact O-N 3.44Å; D387-P513 HydrophobicContact CB-CG 4.05Å
388	M	86.4	Confident	84.3	Confident	52 Å²	52	81 Å²	81	26%	0.256	46%	0.456	S	S	.	.			trans	-80.7	115.4	176.5	-58.7	-176.2	-165.1	0	0	109.5	I383 H510 V511	I383-M388 HydrophobicContact CB-CE 4.12Å; I383-M388 HydrophobicContact CG2-CE 4.14Å; I383-M388 HydrophobicContact CG2-CG 4.25Å; M388-H510 HydrophobicContact CB-CB 4.5Å; M388-H510 PolarHBondContact SD-NE2 3.27Å; M388-V511 WeakPolarHBondContact CA-O 3.41Å
389	K	88.9	Confident	84.5	Confident	125 Å²	125	81.7 Å²	81.7	54%	0.543	45%	0.453	S	S	.	.	B	Isolated β-bridge	trans	-108	152.6	-177.5	-62	-162.7	178.5	-161.6	0	111.8	H510 V511	K389-H510 CarbonylContact O-C 3.55Å; K389-H510 WeakPolarHBondContact O-CA 3.15Å; K389-H510 WeakPolarHBondContact O-CB 3.15Å; K389-V511 HydrophobicContact CB-CB 4.4Å; K389-V511 PolarHBondContact N-O 3.03Å; K389-V511 PolarHBondContact O-N 3.17Å
390	P	91.3	Very high	84.3	Confident	78 Å²	78	82.2 Å²	82.2	51%	0.506	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-55.7	150.6	167.4	23.2	-32.5	0	0	0	110.8	M397	P390-M397 HydrophobicContact CB-CE 3.65Å; P390-M397 HydrophobicContact CG-CE 4.1Å
391	V	91.4	Very high	83.8	Confident	3 Å²	3	82.4 Å²	82.4	2%	0.018	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-76.6	127	172.6	-175.1	0	0	0	0	109	G393 I394 Y509 V511 I525 R565 L568	V391-G393 PolarHBondContact O-N 3.47Å; V391-I394 HydrophobicContact CB-CD1 4.42Å; V391-I394 HydrophobicContact CG1-CD1 3.91Å; V391-I394 HydrophobicContact CG1-CG1 4.4Å; V391-I394 PolarHBondContact O-N 2.91Å; V391-Y509 HydrophobicContact CG2-CD2 3.94Å; V391-V511 HydrophobicContact CB-CG2 4.34Å; V391-V511 HydrophobicContact CG2-CG2 3.97Å; V391-I525 HydrophobicContact CG1-CD1 3.94Å; V391-I525 HydrophobicContact CG1-CG1 4.24Å; V391-I525 HydrophobicContact CG2-CG1 4.41Å; V391-I525 HydrophobicContact CG2-CG2 4.06Å; V391-R565 HydrophobicContact CG1-CG 3.91Å; V391-L568 HydrophobicContact CB-CD2 4.22Å; V391-L568 HydrophobicContact CG1-CD2 4.04Å; V391-L568 HydrophobicContact CG2-CD2 3.86Å
392	P	88.3	Confident	82.6	Confident	69 Å²	69	86.9 Å²	86.9	45%	0.448	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	135.4	179.1	-26.3	34.7	0	0	0	112.7	I394 R565	P392-I394 VanDerWaalsContact C-N 3.31Å; P392-I394 PolarHBondContact O-N 3.42Å; P392-R565 WeakPolarHBondContact O-CD 3.42Å
393	G	83.4	Confident	81	Confident	66 Å²	66	89.1 Å²	89.1	68%	0.68	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	19.4	174.7	0	0	0	0	0	115.8	V391 K569	V391-G393 PolarHBondContact O-N 3.47Å; G393-K569 VanDerWaalsContact O-CE 3.25Å; G393-K569 WeakPolarHBondContact O-CE 3.43Å
394	I	85	Confident	79.1	Confident	20 Å²	20	96.9 Å²	96.9	10%	0.103	50%	0.496	C	S	.	.			trans	-131.2	123.1	175.6	-58.3	-178.1	0	0	0	109.7	V391 P392 Y509 L568 K569 I572	V391-I394 HydrophobicContact CB-CD1 4.42Å; V391-I394 HydrophobicContact CG1-CD1 3.91Å; V391-I394 HydrophobicContact CG1-CG1 4.4Å; V391-I394 PolarHBondContact O-N 2.91Å; P392-I394 VanDerWaalsContact C-N 3.31Å; P392-I394 PolarHBondContact O-N 3.42Å; I394-Y509 HydrophobicContact CG2-CE2 3.65Å; I394-L568 HydrophobicContact CD1-CB 3.99Å; I394-L568 HydrophobicContact CD1-CD2 3.5Å; I394-L568 VanDerWaalsContact CD1-CD2 3.5Å; I394-L568 HydrophobicContact CD1-CG 3.69Å; I394-K569 HydrophobicContact CD1-CG 3.88Å; I394-K569 HydrophobicContact CG1-CG 3.92Å; I394-I572 HydrophobicContact CG2-CD1 3.6Å
395	N	79.8	Confident	77.3	Confident	147 Å²	147	98.2 Å²	98.2	79%	0.786	50%	0.499	S	S	*	.	S	Bend	trans	-80.6	124	-176.4	-73	-30.9	0	0	0	112.5	Y509	N395-Y509 PolarHBondContact O-OH 2.73Å
396	G	79.9	Confident	75.8	Confident	48 Å²	48	94.2 Å²	94.2	50%	0.495	49%	0.486	S	S	.	.			trans	87.6	172	-176.9	0	0	0	0	0	113.5	Y509	G396-Y509 WeakPolarHBondContact O-CE2 3.17Å; G396-Y509 PolarHBondContact O-OH 3.21Å
397	M	78.1	Confident	74.6	Confident	99 Å²	99	97.4 Å²	97.4	49%	0.488	49%	0.488	S	S	.	.	S	Bend	trans	-122.5	-1.1	175.6	-62.2	169.9	-178.8	0	0	112.4	P390 E508 Y509	P390-M397 HydrophobicContact CB-CE 3.65Å; P390-M397 HydrophobicContact CG-CE 4.1Å; M397-E508 CarbonylContact O-C 3.39Å; M397-E508 VanDerWaalsContact O-CA 3.3Å; M397-E508 WeakPolarHBondContact O-CA 3.47Å; M397-Y509 PolarHBondContact O-N 2.75Å
398	R	85.5	Confident	73	Confident	115 Å²	115	106.2 Å²	106.2	43%	0.434	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	135.6	-170.8	-170.6	175.5	-148	-176.8	14.9	112.1	M507 E508	R398-M507 CarbonylContact C-O 3.47Å; R398-M507 VanDerWaalsContact CA-O 3.24Å; R398-M507 WeakPolarHBondContact CA-O 3.34Å; R398-E508 HydrophobicContact CB-CG 4.02Å; R398-E508 HydrophobicContact CG-CG 3.6Å; R398-E508 IonicContact CZ-OE1 3.07Å; R398-E508 IonicContact NE-OE1 2.8Å; R398-E508 PolarHBondContact NE-OE1 2.87Å; R398-E508 IonicContact NH2-OE1 2.97Å; R398-E508 PolarHBondContact NH2-OE1 3.06Å
399	R	84.8	Confident	71.7	Confident	87 Å²	87	106.6 Å²	106.6	33%	0.328	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148.8	169.2	-63.4	-76.5	164.8	146.3	-7.8	109.4	K506 M507 Y509 I572 D576	R399-K506 WeakPolarHBondContact O-CA 3.41Å; R399-M507 HydrophobicContact CB-CB 4.37Å; R399-M507 PolarHBondContact N-O 2.82Å; R399-M507 PolarHBondContact O-N 2.86Å; R399-Y509 HydrophobicContact CG-CE1 4.43Å; R399-I572 HydrophobicContact CG-CG2 4.11Å; R399-D576 IonicContact CZ-OD2 2.77Å; R399-D576 IonicContact NH1-OD2 2.97Å; R399-D576 PolarHBondContact NH1-OD2 2.82Å
400	K	80.7	Confident	70.7	Confident	125 Å²	125	105.1 Å²	105.1	54%	0.543	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	118.4	178.3	-66.5	-174.2	-178.9	177.3	0	109.4	K402 K506	K400-K402 PolarHBondContact O-N 3.35Å; K400-K506 HydrophobicContact CG-CG 4.24Å
401	T	74.6	Confident	70.3	Confident	21 Å²	21	105 Å²	105	13%	0.129	52%	0.523	C	S	.	.			trans	-75.9	103.7	171.8	39.5	0	0	0	0	109.3	G505 W575 R578	T401-G505 PolarHBondContact N-O 2.85Å; T401-G505 VanDerWaalsContact N-O 3.16Å; T401-G505 PolarHBondContact OG1-N 2.73Å; T401-G505 PolarHBondContact OG1-O 2.92Å; T401-W575 HydrophobicContact CG2-CZ2 4.17Å; T401-R578 HydrophobicContact CG2-CG 4.44Å
402	K	60.6	Low	70	Confident	161 Å²	161	105.9 Å²	105.9	70%	0.7	53%	0.529	S	S	*	.			trans	-78.7	145	173.4	-68.2	-177.5	-178.8	176.9	0	109.9	K400 K404	K400-K402 PolarHBondContact O-N 3.35Å; K402-K404 PolarHBondContact O-N 2.91Å
403	K	53.2	Low	69.9	Low	180 Å²	180	103.7 Å²	103.7	78%	0.783	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-55.5	-3.4	176.6	-155.9	-179.7	-178	-178	0	115.4
404	K	43.3	Very low	70.1	Confident	193 Å²	193	104.5 Å²	104.5	84%	0.839	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-88.1	-3.7	-170.3	-149.5	179.4	-178.1	-176.8	0	114.6	K402 L406	K402-K404 PolarHBondContact O-N 2.91Å; K404-L406 VanDerWaalsContact C-N 3.31Å; K404-L406 PolarHBondContact O-N 3.46Å
405	H	46.3	Very low	70.4	Confident	134 Å²	134	103.6 Å²	103.6	62%	0.62	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-89.6	16.4	-179.7	-75.1	-94.1	0	0	0	114.7	K407	H405-K407 PolarHBondContact O-N 2.94Å
406	L	48.7	Very low	70.9	Confident	107 Å²	107	96.6 Å²	96.6	56%	0.56	46%	0.459	S	S	*	.			trans	-73.4	74.6	168.2	-145.9	79.4	0	0	0	109.3	K404 R408 E539	K404-L406 VanDerWaalsContact C-N 3.31Å; K404-L406 PolarHBondContact O-N 3.46Å; L406-R408 PolarHBondContact O-N 3.15Å; L406-E539 VanDerWaalsContact CD1-OE2 3.32Å; L406-E539 WeakPolarHBondContact CD1-OE2 3.24Å
407	K	53.1	Low	71.4	Confident	160 Å²	160	98.5 Å²	98.5	70%	0.696	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-57.4	126.8	170.2	-80	178.7	179.8	167.3	0	107.3	H405 G409	H405-K407 PolarHBondContact O-N 2.94Å; K407-G409 PolarHBondContact O-N 3.04Å
408	R	50.2	Low	72	Confident	241 Å²	241	100 Å²	100	91%	0.909	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-52.6	126.7	178.2	-156.2	177.2	-166.2	176	2.6	108.3	L406 K410	L406-R408 PolarHBondContact O-N 3.15Å; R408-K410 PolarHBondContact O-N 3.33Å
409	G	57.8	Low	72.4	Confident	59 Å²	59	96.6 Å²	96.6	61%	0.608	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-51.9	126.1	-175.5	0	0	0	0	0	110.6	K407	K407-G409 PolarHBondContact O-N 3.04Å
410	K	69.7	Low	72.7	Confident	94 Å²	94	93.1 Å²	93.1	41%	0.409	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-70.1	145.4	175	-65.8	176.5	-173.3	166.7	0	108.6	R408 P412 V415	R408-K410 PolarHBondContact O-N 3.33Å; K410-P412 WeakPolarHBondContact O-CD 3.49Å; K410-V415 HydrophobicContact CB-CG2 3.49Å; K410-V415 VanDerWaalsContact CB-CG2 3.49Å; K410-V415 HydrophobicContact CD-CG2 4.04Å; K410-V415 HydrophobicContact CG-CG2 4.43Å
411	N	82.7	Confident	73.3	Confident	76 Å²	76	92.8 Å²	92.8	41%	0.406	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-51.5	122.9	174.3	176.9	16.2	0	0	0	110	E413 D414 V415	N411-E413 VanDerWaalsContact C-N 3.27Å; N411-E413 PolarHBondContact O-N 2.91Å; N411-E413 PolarHBondContact OD1-N 3.47Å; N411-D414 HydrophobicContact CB-CB 4.17Å; N411-D414 WeakPolarHBondContact CB-OD2 3.32Å; N411-D414 VanDerWaalsContact ND2-CG 3.28Å; N411-D414 PolarHBondContact ND2-OD2 2.71Å; N411-D414 PolarHBondContact O-N 2.74Å; N411-D414 VanDerWaalsContact O-N 3.1Å; N411-V415 PolarHBondContact O-N 3.06Å; N411-V415 VanDerWaalsContact O-N 3.17Å
412	P	85	Confident	73.9	Confident	21 Å²	21	98.1 Å²	98.1	14%	0.136	45%	0.449	C	S	.	.	H	α-helix	trans	-49.1	-44.5	-179.8	-32	36.6	0	0	0	114.1	K410 D414 V415 V416 V474 Y477 N478	K410-P412 WeakPolarHBondContact O-CD 3.49Å; P412-D414 PolarHBondContact O-N 3.41Å; P412-V415 PolarHBondContact O-N 3.27Å; P412-V416 PolarHBondContact O-N 3.28Å; P412-V416 VanDerWaalsContact O-N 3.09Å; P412-V474 HydrophobicContact CB-CG1 4.01Å; P412-Y477 HydrophobicContact CB-CD1 3.74Å; P412-Y477 HydrophobicContact CB-CE1 4.05Å; P412-Y477 HydrophobicContact CG-CD1 4.14Å; P412-Y477 HydrophobicContact CG-CE1 4.11Å; P412-N478 WeakPolarHBondContact CG-OD1 3.3Å
413	E	86.1	Confident	75.2	Confident	23 Å²	23	92.6 Å²	92.6	11%	0.107	43%	0.427	C	S	.	.	H	α-helix	trans	-62.2	-44	180	-61.5	-158.1	-169.1	0	0	111.8	N411 V415 V416 R417 I453	N411-E413 VanDerWaalsContact C-N 3.27Å; N411-E413 PolarHBondContact O-N 2.91Å; N411-E413 PolarHBondContact OD1-N 3.47Å; E413-V415 VanDerWaalsContact C-N 3.28Å; E413-V415 PolarHBondContact O-N 2.89Å; E413-V416 PolarHBondContact O-N 3.46Å; E413-R417 VanDerWaalsContact O-CB 3.26Å; E413-R417 WeakPolarHBondContact O-CB 3.38Å; E413-R417 WeakPolarHBondContact O-CG 3.35Å; E413-R417 PolarHBondContact O-N 3.48Å; E413-R417 IonicContact OE2-CZ 3.31Å; E413-R417 IonicContact OE2-NE 3.68Å; E413-R417 IonicContact OE2-NH2 3.69Å; E413-R417 PolarHBondContact OE2-NH2 2.92Å; E413-I453 HydrophobicContact CB-CD1 4.15Å; E413-I453 HydrophobicContact CG-CD1 3.65Å; E413-I453 HydrophobicContact CG-CG1 4.29Å; E413-I453 WeakPolarHBondContact OE2-CG1 3.48Å
414	D	87.8	Confident	76.3	Confident	84 Å²	84	94.1 Å²	94.1	45%	0.449	43%	0.433	S	S	.	.	H	α-helix	trans	-70	-25	-178.3	-62.3	-30.4	0	0	0	112.7	N411 P412 R418	N411-D414 HydrophobicContact CB-CB 4.17Å; N411-D414 WeakPolarHBondContact CB-OD2 3.32Å; N411-D414 VanDerWaalsContact ND2-CG 3.28Å; N411-D414 PolarHBondContact ND2-OD2 2.71Å; N411-D414 PolarHBondContact O-N 2.74Å; N411-D414 VanDerWaalsContact O-N 3.1Å; P412-D414 PolarHBondContact O-N 3.41Å; D414-R418 VanDerWaalsContact O-CB 3.3Å; D414-R418 WeakPolarHBondContact O-CB 3.49Å; D414-R418 PolarHBondContact O-N 2.99Å
415	V	89.7	Confident	78.3	Confident	0 Å²	0	90.9 Å²	90.9	0%	0	43%	0.43	C	S	.	.	H	α-helix	trans	-76.3	-47	174.3	177.9	0	0	0	0	110.5	K410 N411 P412 E413 R418 Y419 Y477	K410-V415 HydrophobicContact CB-CG2 3.49Å; K410-V415 VanDerWaalsContact CB-CG2 3.49Å; K410-V415 HydrophobicContact CD-CG2 4.04Å; K410-V415 HydrophobicContact CG-CG2 4.43Å; N411-V415 PolarHBondContact O-N 3.06Å; N411-V415 VanDerWaalsContact O-N 3.17Å; P412-V415 PolarHBondContact O-N 3.27Å; E413-V415 VanDerWaalsContact C-N 3.28Å; E413-V415 PolarHBondContact O-N 2.89Å; V415-R418 PolarHBondContact O-N 2.84Å; V415-Y419 HydrophobicContact CG1-CD2 4.25Å; V415-Y419 HydrophobicContact CG1-CE2 4Å; V415-Y419 WeakPolarHBondContact O-CD2 3.38Å; V415-Y477 HydrophobicContact CB-CE1 4.41Å; V415-Y477 HydrophobicContact CB-CE2 4.21Å; V415-Y477 HydrophobicContact CG1-CD2 4.13Å; V415-Y477 HydrophobicContact CG1-CE2 3.66Å; V415-Y477 HydrophobicContact CG2-CE1 4.44Å; V415-Y477 HydrophobicContact CG2-CE2 4.46Å
416	V	90.6	Very high	80	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-62.9	-52.1	176.8	173.2	0	0	0	0	110.3	P412 E413 R418 Y419 T420 L470 L473 V474 L486	P412-V416 PolarHBondContact O-N 3.28Å; P412-V416 VanDerWaalsContact O-N 3.09Å; E413-V416 PolarHBondContact O-N 3.46Å; V416-R418 PolarHBondContact O-N 2.97Å; V416-R418 VanDerWaalsContact O-N 3.13Å; V416-Y419 PolarHBondContact O-N 2.88Å; V416-T420 HydrophobicContact CG1-CG2 3.82Å; V416-T420 WeakPolarHBondContact O-CG2 3.29Å; V416-T420 PolarHBondContact O-N 2.93Å; V416-T420 PolarHBondContact O-OG1 3.48Å; V416-T420 VanDerWaalsContact O-OG1 3.08Å; V416-L470 HydrophobicContact CG1-CG 4.46Å; V416-L473 HydrophobicContact CG1-CB 3.68Å; V416-L473 HydrophobicContact CG1-CD1 4.08Å; V416-L473 HydrophobicContact CG2-CB 4.05Å; V416-V474 HydrophobicContact CB-CG2 3.92Å; V416-V474 HydrophobicContact CG1-CG2 4.27Å; V416-V474 HydrophobicContact CG2-CG2 3.65Å; V416-L486 HydrophobicContact CG2-CD1 4.49Å; V416-L486 HydrophobicContact CG2-CD2 4.49Å
417	R	90.4	Very high	81.8	Confident	88 Å²	88	83.4 Å²	83.4	33%	0.332	40%	0.398	S	S	.	.	H	α-helix	trans	-58.8	-27.4	179.3	-69.9	176.1	-166.5	-122.1	7.6	113.9	E413 Y419 G452 I453 L470	E413-R417 VanDerWaalsContact O-CB 3.26Å; E413-R417 WeakPolarHBondContact O-CB 3.38Å; E413-R417 WeakPolarHBondContact O-CG 3.35Å; E413-R417 PolarHBondContact O-N 3.48Å; E413-R417 IonicContact OE2-CZ 3.31Å; E413-R417 IonicContact OE2-NE 3.68Å; E413-R417 IonicContact OE2-NH2 3.69Å; E413-R417 PolarHBondContact OE2-NH2 2.92Å; R417-Y419 VanDerWaalsContact C-N 3.3Å; R417-Y419 PolarHBondContact O-N 3.43Å; R417-G452 PolarHBondContact NH2-O 2.99Å; R417-I453 VanDerWaalsContact NH2-CG1 3.31Å; R417-L470 HydrophobicContact CG-CD2 4.41Å
418	R	91.4	Very high	83.4	Confident	130 Å²	130	81 Å²	81	49%	0.491	39%	0.393	S	S	.	.	H	α-helix	trans	-68.2	-28.4	174.9	-175.7	-177	-60.7	108.3	11.9	112.9	D414 V415 V416	D414-R418 VanDerWaalsContact O-CB 3.3Å; D414-R418 WeakPolarHBondContact O-CB 3.49Å; D414-R418 PolarHBondContact O-N 2.99Å; V415-R418 PolarHBondContact O-N 2.84Å; V416-R418 PolarHBondContact O-N 2.97Å; V416-R418 VanDerWaalsContact O-N 3.13Å
419	Y	92.8	Very high	85.2	Confident	45 Å²	45	74.7 Å²	74.7	18%	0.176	37%	0.374	C	S	.	.	H	α-helix	trans	-111.9	-6	-173.3	-57.9	-49.2	0	0	0	113.7	V415 V416 R417 G462 L486 Y495 G496	V415-Y419 HydrophobicContact CG1-CD2 4.25Å; V415-Y419 HydrophobicContact CG1-CE2 4Å; V415-Y419 WeakPolarHBondContact O-CD2 3.38Å; V416-Y419 PolarHBondContact O-N 2.88Å; R417-Y419 VanDerWaalsContact C-N 3.3Å; R417-Y419 PolarHBondContact O-N 3.43Å; Y419-G462 PolarHBondContact O-N 2.86Å; Y419-L486 HydrophobicContact CD2-CB 3.99Å; Y419-Y495 HydrophobicContact CD1-CD1 4.06Å; Y419-Y495 HydrophobicContact CD1-CG 4.41Å; Y419-Y495 HydrophobicContact CG-CD1 4.08Å; Y419-Y495 HydrophobicContact CG-CG 4.16Å; Y419-G496 VanDerWaalsContact OH-CA 3.26Å; Y419-G496 WeakPolarHBondContact OH-CA 3.49Å
420	T	92.8	Very high	86.8	Confident	13 Å²	13	76.6 Å²	76.6	8%	0.08	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130	175.4	59.9	0	0	0	0	112.9	V416 K460 L461 L473	V416-T420 HydrophobicContact CG1-CG2 3.82Å; V416-T420 WeakPolarHBondContact O-CG2 3.29Å; V416-T420 PolarHBondContact O-N 2.93Å; V416-T420 PolarHBondContact O-OG1 3.48Å; V416-T420 VanDerWaalsContact O-OG1 3.08Å; T420-K460 CarbonylContact C-O 3.56Å; T420-K460 VanDerWaalsContact CA-O 3.24Å; T420-K460 WeakPolarHBondContact CA-O 3.47Å; T420-L461 HydrophobicContact CG2-CD2 3.84Å; T420-L473 HydrophobicContact CG2-CD1 3.52Å
421	E	92.6	Very high	87.8	Confident	118 Å²	118	72.1 Å²	72.1	55%	0.551	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	136.4	164.4	-68.1	163.9	-159.2	0	0	109.8	G459 K460	E421-G459 CarbonylContact O-C 3.52Å; E421-G459 VanDerWaalsContact O-CA 3.32Å; E421-G459 WeakPolarHBondContact O-CA 3.1Å; E421-K460 HydrophobicContact CB-CB 4.38Å; E421-K460 PolarHBondContact N-O 2.92Å; E421-K460 PolarHBondContact O-N 2.8Å
422	K	86.9	Confident	88.2	Confident	134 Å²	134	71.8 Å²	71.8	58%	0.583	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.8	176.3	-69.8	-176.1	178.4	-178	0	110.3
423	I	87.2	Confident	88.4	Confident	45 Å²	45	72.4 Å²	72.4	23%	0.231	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-91.6	140.5	174.9	-61	168.7	0	0	0	109.9	V425 V458 K460 M467	I423-V425 WeakPolarHBondContact CG2-O 3.3Å; I423-V458 HydrophobicContact CD1-CG1 4.29Å; I423-V458 PolarHBondContact N-O 2.65Å; I423-K460 HydrophobicContact CD1-CB 3.72Å; I423-K460 HydrophobicContact CD1-CD 4.43Å; I423-K460 HydrophobicContact CD1-CG 4.3Å; I423-K460 HydrophobicContact CG1-CB 3.96Å; I423-M467 HydrophobicContact CD1-CB 4.37Å; I423-M467 HydrophobicContact CD1-CG 3.55Å; I423-M467 HydrophobicContact CD1-SD 3.32Å; I423-M467 WeakPolarHBondContact CD1-SD 3.42Å
424	K	77.8	Confident	88.6	Confident	211 Å²	211	72.5 Å²	72.5	92%	0.917	36%	0.356	S	S	*	.	S	Bend	trans	-91.5	-38	173.6	-67.6	-177.2	179.1	179.4	0	113.4
425	V	84.1	Confident	88.7	Confident	126 Å²	126	75.3 Å²	75.3	76%	0.764	37%	0.368	S	S	*	.	S	Bend	trans	-106.1	97.4	177.7	-179.4	0	0	0	0	107.4	I423	I423-V425 WeakPolarHBondContact CG2-O 3.3Å
426	V	83.7	Confident	88.8	Confident	50 Å²	50	79.2 Å²	79.2	30%	0.303	39%	0.387	S	S	.	.			trans	-72.3	126.7	-178.3	-177.4	0	0	0	0	108.9	L438 A439 V458	V426-L438 VanDerWaalsContact CG1-C 3.46Å; V426-L438 HydrophobicContact CG1-CB 3.64Å; V426-L438 WeakPolarHBondContact CG1-O 3.48Å; V426-A439 HydrophobicContact CG1-CB 4.48Å; V426-V458 HydrophobicContact CG1-CB 4.33Å; V426-V458 HydrophobicContact CG1-CG2 3.89Å; V426-V458 HydrophobicContact CG2-CB 4.27Å; V426-V458 HydrophobicContact CG2-CG2 4.33Å
427	P	85	Confident	88.7	Confident	33 Å²	33	84.7 Å²	84.7	21%	0.214	41%	0.407	C	S	.	.			trans	-72.6	157.4	177.8	32.8	-37	0	0	0	111.1	E429 L438 M467	P427-E429 HydrophobicContact CB-CG 4.28Å; P427-E429 PolarHBondContact O-N 2.8Å; P427-L438 HydrophobicContact CG-CD1 4.09Å; P427-M467 HydrophobicContact CG-CE 3.74Å; P427-M467 HydrophobicContact CG-SD 3.76Å
428	D	86.2	Confident	88.7	Confident	111 Å²	111	80.6 Å²	80.6	59%	0.594	39%	0.392	S	S	*	.	S	Bend	trans	-84.8	64.8	175.4	-165.9	20.3	0	0	0	111.2	R437	D428-R437 IonicContact OD1-CZ 3.62Å; D428-R437 IonicContact OD1-NE 3.17Å; D428-R437 PolarHBondContact OD1-NE 2.92Å; D428-R437 IonicContact OD1-NH2 3.86Å; D428-R437 PolarHBondContact OD1-NH2 3.48Å; D428-R437 IonicContact OD2-CZ 2.83Å; D428-R437 IonicContact OD2-NH2 3.59Å; D428-R437 PolarHBondContact OD2-NH2 2.92Å
429	E	89.7	Confident	88.7	Confident	107 Å²	107	77.6 Å²	77.6	50%	0.5	40%	0.395	S	S	.	.			trans	-127.9	157.7	179.1	-67	175.3	-176.5	0	0	109.9	P427 L438 M467	P427-E429 HydrophobicContact CB-CG 4.28Å; P427-E429 PolarHBondContact O-N 2.8Å; E429-L438 HydrophobicContact CB-CD1 4.13Å; E429-L438 WeakPolarHBondContact O-CB 3.49Å; E429-L438 VanDerWaalsContact O-CG 3.26Å; E429-L438 WeakPolarHBondContact O-CG 3.44Å; E429-L438 PolarHBondContact O-N 3.2Å; E429-M467 WeakPolarHBondContact OE2-CE 3.11Å
430	D	91.4	Very high	88.5	Confident	99 Å²	99	80.3 Å²	80.3	53%	0.529	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	140.8	179.2	-63.5	-39.9	0	0	0	112.9	T432 R437	D430-T432 PolarHBondContact O-N 2.86Å; D430-R437 VanDerWaalsContact OD1-CG 3.22Å; D430-R437 WeakPolarHBondContact OD1-CG 3.33Å
431	C	89.7	Confident	88.3	Confident	0 Å²	0	82 Å²	82	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	105.1	170.1	-173.9	0	0	0	0	110.1	I433 C434 M435 E436 L438 H469	C431-I433 PolarHBondContact O-N 2.78Å; C431-C434 PolarHBondContact O-N 2.98Å; C431-C434 VanDerWaalsContact O-N 3.17Å; C431-M435 WeakPolarHBondContact O-CA 3.26Å; C431-M435 PolarHBondContact O-N 2.78Å; C431-E436 WeakPolarHBondContact CB-O 3.35Å; C431-E436 PolarHBondContact N-O 2.91Å; C431-L438 HydrophobicContact CB-CD2 3.69Å; C431-L438 HydrophobicContact CB-CG 4.34Å; C431-H469 VanDerWaalsContact CB-ND1 3.32Å; C431-H469 WeakPolarHBondContact CB-ND1 3.36Å
432	T	91.5	Very high	88.1	Confident	70 Å²	70	76.4 Å²	76.4	43%	0.429	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	5.8	-177.6	66.9	0	0	0	0	115.9	D430 Y468 T490	D430-T432 PolarHBondContact O-N 2.86Å; T432-Y468 WeakPolarHBondContact OG1-CE1 3.41Å; T432-T490 PolarHBondContact OG1-OG1 3.36Å
433	I	89.4	Confident	88.1	Confident	34 Å²	34	72 Å²	72	17%	0.174	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-44.9	173.4	-54.5	171.3	0	0	0	111.3	C431 Y444 Y468 C472 L473 M476 P489	C431-I433 PolarHBondContact O-N 2.78Å; I433-Y444 HydrophobicContact CG2-CE2 3.99Å; I433-Y468 HydrophobicContact CD1-CD1 3.5Å; I433-Y468 HydrophobicContact CD1-CE1 4.15Å; I433-Y468 HydrophobicContact CD1-CG 3.87Å; I433-Y468 HydrophobicContact CG1-CD1 3.7Å; I433-Y468 HydrophobicContact CG1-CE1 4.09Å; I433-C472 HydrophobicContact CB-CB 3.83Å; I433-C472 HydrophobicContact CD1-CB 3.75Å; I433-C472 HydrophobicContact CG1-CB 4.37Å; I433-C472 HydrophobicContact CG2-CB 3.85Å; I433-L473 HydrophobicContact CD1-CD2 3.83Å; I433-L473 HydrophobicContact CD1-CG 4.25Å; I433-M476 HydrophobicContact CD1-SD 4.46Å; I433-P489 HydrophobicContact CD1-CG 3.96Å; I433-P489 HydrophobicContact CG1-CG 3.82Å
434	C	89.9	Confident	87.9	Confident	24 Å²	24	73 Å²	73	16%	0.162	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-7.2	179.3	65.9	0	0	0	0	114.1	C431 E436 Y444	C431-C434 PolarHBondContact O-N 2.98Å; C431-C434 VanDerWaalsContact O-N 3.17Å; C434-E436 PolarHBondContact O-N 2.93Å; C434-Y444 HydrophobicContact CB-CD2 3.99Å; C434-Y444 HydrophobicContact CB-CE2 3.88Å
435	M	90.9	Very high	87.9	Confident	143 Å²	143	67.9 Å²	67.9	70%	0.704	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	23	-175.4	-50.6	-56.8	-162	0	0	114.9	C431	C431-M435 WeakPolarHBondContact O-CA 3.26Å; C431-M435 PolarHBondContact O-N 2.78Å
436	E	90.1	Very high	87.2	Confident	83 Å²	83	65.4 Å²	65.4	39%	0.388	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	149.3	172.6	-60.4	-64.4	167.2	0	0	110.2	C431 C434 L438	C431-E436 WeakPolarHBondContact CB-O 3.35Å; C431-E436 PolarHBondContact N-O 2.91Å; C434-E436 PolarHBondContact O-N 2.93Å; E436-L438 PolarHBondContact O-N 3.44Å
437	R	90	Very high	86.5	Confident	115 Å²	115	68.8 Å²	68.8	43%	0.434	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	137	174.8	-70.9	170.8	93.5	160.5	9.1	110.4	D428 D430 A439 M440 H469	D428-R437 IonicContact OD1-CZ 3.62Å; D428-R437 IonicContact OD1-NE 3.17Å; D428-R437 PolarHBondContact OD1-NE 2.92Å; D428-R437 IonicContact OD1-NH2 3.86Å; D428-R437 PolarHBondContact OD1-NH2 3.48Å; D428-R437 IonicContact OD2-CZ 2.83Å; D428-R437 IonicContact OD2-NH2 3.59Å; D428-R437 PolarHBondContact OD2-NH2 2.92Å; D430-R437 VanDerWaalsContact OD1-CG 3.22Å; D430-R437 WeakPolarHBondContact OD1-CG 3.33Å; R437-A439 PolarHBondContact O-N 3.35Å; R437-A439 VanDerWaalsContact O-N 3.16Å; R437-M440 HydrophobicContact CB-CB 4.48Å; R437-M440 HydrophobicContact CB-CG 4.18Å; R437-M440 HydrophobicContact CB-SD 4.24Å; R437-M440 PolarHBondContact O-N 3.29Å; R437-H469 PolarHBondContact O-NE2 3.22Å
438	L	90.1	Very high	85.5	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-29.7	177.9	-73.4	171.9	0	0	0	112.3	V426 P427 E429 C431 E436 M440 V458 M467	V426-L438 VanDerWaalsContact CG1-C 3.46Å; V426-L438 HydrophobicContact CG1-CB 3.64Å; V426-L438 WeakPolarHBondContact CG1-O 3.48Å; P427-L438 HydrophobicContact CG-CD1 4.09Å; E429-L438 HydrophobicContact CB-CD1 4.13Å; E429-L438 WeakPolarHBondContact O-CB 3.49Å; E429-L438 VanDerWaalsContact O-CG 3.26Å; E429-L438 WeakPolarHBondContact O-CG 3.44Å; E429-L438 PolarHBondContact O-N 3.2Å; C431-L438 HydrophobicContact CB-CD2 3.69Å; C431-L438 HydrophobicContact CB-CG 4.34Å; E436-L438 PolarHBondContact O-N 3.44Å; L438-M440 VanDerWaalsContact C-N 3.26Å; L438-M440 PolarHBondContact O-N 2.94Å; L438-V458 HydrophobicContact CB-CG2 4.03Å; L438-V458 HydrophobicContact CD1-CG1 4.47Å; L438-V458 HydrophobicContact CD2-CG1 3.96Å; L438-V458 HydrophobicContact CD2-CG2 3.93Å; L438-V458 VanDerWaalsContact O-CG2 3.24Å; L438-V458 WeakPolarHBondContact O-CG2 3.19Å; L438-M467 HydrophobicContact CD1-CB 3.83Å
439	A	90.3	Very high	84	Confident	68 Å²	68	73.1 Å²	73.1	56%	0.562	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-11.9	175.4	0	0	0	0	0	114.6	V426 R437	V426-A439 HydrophobicContact CG1-CB 4.48Å; R437-A439 PolarHBondContact O-N 3.35Å; R437-A439 VanDerWaalsContact O-N 3.16Å
440	M	88.8	Confident	82.6	Confident	102 Å²	102	70.9 Å²	70.9	50%	0.502	39%	0.39	S	S	.	.	S	Bend	trans	-102.4	174.2	177.9	-65.7	179.7	61.9	0	0	111.1	R437 L438 H469	R437-M440 HydrophobicContact CB-CB 4.48Å; R437-M440 HydrophobicContact CB-CG 4.18Å; R437-M440 HydrophobicContact CB-SD 4.24Å; R437-M440 PolarHBondContact O-N 3.29Å; L438-M440 VanDerWaalsContact C-N 3.26Å; L438-M440 PolarHBondContact O-N 2.94Å; M440-H469 PolarHBondContact O-NE2 3.27Å
441	S	88.2	Confident	81.1	Confident	48 Å²	48	76.5 Å²	76.5	34%	0.336	41%	0.409	S	S	.	.			trans	-68.2	151.1	175.1	66.1	0	0	0	0	111.6	G443 E445	S441-G443 PolarHBondContact O-N 2.8Å; S441-E445 VanDerWaalsContact CB-OE2 3.27Å; S441-E445 WeakPolarHBondContact CB-OE2 3.46Å; S441-E445 PolarHBondContact OG-OE2 2.92Å
442	S	90.2	Very high	80	Confident	1 Å²	1	78.6 Å²	78.6	1%	0.007	43%	0.431	C	S	.	.			trans	-64.4	131	175.5	176	0	0	0	0	111.7	Y444 E445 P455 C472	S442-Y444 PolarHBondContact O-N 2.87Å; S442-Y444 PolarHBondContact OG-N 3.08Å; S442-E445 VanDerWaalsContact O-CB 3.29Å; S442-E445 WeakPolarHBondContact O-CB 3.13Å; S442-E445 PolarHBondContact O-N 3.3Å; S442-P455 WeakPolarHBondContact CB-O 3.37Å; S442-P455 PolarHBondContact N-O 2.61Å; S442-C472 PolarHBondContact OG-SG 2.88Å
443	G	85.6	Confident	79.4	Confident	41 Å²	41	75.8 Å²	75.8	42%	0.423	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	1.4	172.4	0	0	0	0	0	115.9	S441	S441-G443 PolarHBondContact O-N 2.8Å
444	Y	82.9	Confident	79.2	Confident	67 Å²	67	81 Å²	81	26%	0.263	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	7	169	-71.9	-85.7	0	0	0	113.8	I433 C434 S442 I447 C472 A475	I433-Y444 HydrophobicContact CG2-CE2 3.99Å; C434-Y444 HydrophobicContact CB-CD2 3.99Å; C434-Y444 HydrophobicContact CB-CE2 3.88Å; S442-Y444 PolarHBondContact O-N 2.87Å; S442-Y444 PolarHBondContact OG-N 3.08Å; Y444-I447 HydrophobicContact CD1-CD1 4.32Å; Y444-I447 PolarHBondContact O-N 3.46Å; Y444-C472 HydrophobicContact CD2-CB 4.38Å; Y444-A475 HydrophobicContact CD1-CB 3.79Å; Y444-A475 HydrophobicContact CD2-CB 4.39Å; Y444-A475 HydrophobicContact CE1-CB 3.99Å; Y444-A475 HydrophobicContact CG-CB 4Å
445	E	79	Confident	79	Confident	103 Å²	103	80.9 Å²	80.9	48%	0.481	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	137.5	172	-174.4	165.1	-168.9	0	0	111.4	S441 S442 I447 P455	S441-E445 VanDerWaalsContact CB-OE2 3.27Å; S441-E445 WeakPolarHBondContact CB-OE2 3.46Å; S441-E445 PolarHBondContact OG-OE2 2.92Å; S442-E445 VanDerWaalsContact O-CB 3.29Å; S442-E445 WeakPolarHBondContact O-CB 3.13Å; S442-E445 PolarHBondContact O-N 3.3Å; E445-I447 PolarHBondContact O-N 3.31Å; E445-P455 HydrophobicContact CB-CB 4.39Å; E445-P455 HydrophobicContact CB-CG 4.34Å; E445-P455 HydrophobicContact CG-CB 4.4Å; E445-P455 HydrophobicContact CG-CG 3.92Å
446	G	68.6	Low	78.8	Confident	73 Å²	73	78.8 Å²	78.8	75%	0.753	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	-27.8	-177.5	0	0	0	0	0	116.6
447	I	68.8	Low	78.8	Confident	122 Å²	122	77.2 Å²	77.2	63%	0.626	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-37.4	-178.9	-58.7	174.9	0	0	0	111.1	Y444 E445	Y444-I447 HydrophobicContact CD1-CD1 4.32Å; Y444-I447 PolarHBondContact O-N 3.46Å; E445-I447 PolarHBondContact O-N 3.31Å
448	L	63.8	Low	79	Confident	45 Å²	45	72 Å²	72	24%	0.236	40%	0.397	C	S	.	.	S	Bend	trans	-105.3	120.7	178.1	-66.5	173.2	0	0	0	110.9	H450 L471 A475	L448-H450 PolarHBondContact O-N 3.15Å; L448-L471 HydrophobicContact CB-CD1 4.28Å; L448-L471 HydrophobicContact CD1-CD1 4.02Å; L448-A475 HydrophobicContact CD1-CB 3.67Å
449	Q	56.2	Low	79.1	Confident	190 Å²	190	72 Å²	72	89%	0.888	40%	0.397	S	S	*	.			trans	-73.2	35.3	174.2	-63.2	-174.8	-3.1	0	0	113.6	K451	Q449-K451 PolarHBondContact O-N 2.96Å
450	H	60.2	Low	79.3	Confident	60 Å²	60	72.7 Å²	72.7	28%	0.278	39%	0.387	S	S	.	.			trans	-81.8	98.7	178.1	-76.6	-50.5	0	0	0	110.7	L448 G452 N478	L448-H450 PolarHBondContact O-N 3.15Å; H450-G452 PolarHBondContact O-N 2.34Å; H450-G452 VanDerWaalsContact O-N 3.13Å; H450-N478 PolarHBondContact NE2-ND2 3.41Å
451	K	59.5	Low	79.6	Confident	217 Å²	217	67.8 Å²	67.8	94%	0.943	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-2.4	179	-61.9	-175	178.2	-176.9	0	114.4	Q449	Q449-K451 PolarHBondContact O-N 2.96Å
452	G	66.9	Low	79.8	Confident	44 Å²	44	67.6 Å²	67.6	45%	0.454	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-16.4	-171.2	0	0	0	0	0	116.8	R417 H450	R417-G452 PolarHBondContact NH2-O 2.99Å; H450-G452 PolarHBondContact O-N 2.34Å; H450-G452 VanDerWaalsContact O-N 3.13Å
453	I	78.2	Confident	79.7	Confident	10 Å²	10	74.7 Å²	74.7	5%	0.051	40%	0.399	C	S	.	.	S	Bend	trans	-125.2	122.7	-175.8	-67	169.5	0	0	0	109.1	E413 R417 L457 L470 L471 V474	E413-I453 HydrophobicContact CB-CD1 4.15Å; E413-I453 HydrophobicContact CG-CD1 3.65Å; E413-I453 HydrophobicContact CG-CG1 4.29Å; E413-I453 WeakPolarHBondContact OE2-CG1 3.48Å; R417-I453 VanDerWaalsContact NH2-CG1 3.31Å; I453-L457 HydrophobicContact CG2-CD1 4.34Å; I453-L470 HydrophobicContact CD1-CB 4.43Å; I453-L470 HydrophobicContact CG2-CB 3.76Å; I453-L471 HydrophobicContact CG2-CB 4.37Å; I453-V474 HydrophobicContact CD1-CG2 3.69Å
454	K	84.3	Confident	80.1	Confident	143 Å²	143	74.3 Å²	74.3	62%	0.622	39%	0.39	S	S	*	.			trans	-72.2	142.6	172.4	-52.3	-175.2	167.8	-168.2	0	111	E456 L457	K454-E456 WeakPolarHBondContact CB-OE2 3.3Å; K454-E456 PolarHBondContact O-N 3.19Å; K454-E456 VanDerWaalsContact O-N 3.15Å; K454-L457 HydrophobicContact CB-CD1 4.12Å; K454-L457 HydrophobicContact CB-CG 4.14Å; K454-L457 HydrophobicContact CG-CD1 4.42Å; K454-L457 PolarHBondContact O-N 2.85Å
455	P	86	Confident	80.5	Confident	23 Å²	23	72.3 Å²	72.3	15%	0.149	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26.6	-177.6	-27.9	36.6	0	0	0	115.7	S442 E445 H469	S442-P455 WeakPolarHBondContact CB-O 3.37Å; S442-P455 PolarHBondContact N-O 2.61Å; E445-P455 HydrophobicContact CB-CB 4.39Å; E445-P455 HydrophobicContact CB-CG 4.34Å; E445-P455 HydrophobicContact CG-CB 4.4Å; E445-P455 HydrophobicContact CG-CG 3.92Å; P455-H469 PolarHBondContact O-CD2 3.31Å
456	E	87.8	Confident	81.3	Confident	99 Å²	99	70.2 Å²	70.2	46%	0.463	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.6	-174.4	-32.5	73.4	-160.3	0	0	112.8	K454 V458	K454-E456 WeakPolarHBondContact CB-OE2 3.3Å; K454-E456 PolarHBondContact O-N 3.19Å; K454-E456 VanDerWaalsContact O-N 3.15Å; E456-V458 PolarHBondContact O-N 2.8Å
457	L	90.6	Very high	82.5	Confident	50 Å²	50	68.7 Å²	68.7	26%	0.262	35%	0.353	S	S	.	.			trans	-74.1	115.9	-179.1	-75.4	171.7	0	0	0	111.3	I453 K454 H469 L470	I453-L457 HydrophobicContact CG2-CD1 4.34Å; K454-L457 HydrophobicContact CB-CD1 4.12Å; K454-L457 HydrophobicContact CB-CG 4.14Å; K454-L457 HydrophobicContact CG-CD1 4.42Å; K454-L457 PolarHBondContact O-N 2.85Å; L457-H469 CarbonylContact O-C 3.55Å; L457-H469 WeakPolarHBondContact O-CA 3.35Å; L457-L470 HydrophobicContact CB-CB 4.45Å; L457-L470 HydrophobicContact CB-CD1 4.33Å; L457-L470 WeakPolarHBondContact O-CD1 3.44Å; L457-L470 PolarHBondContact O-N 2.85Å
458	V	93	Very high	83.8	Confident	5 Å²	5	63 Å²	63	3%	0.03	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	140.8	175.1	175.2	0	0	0	0	111.9	I423 V426 L438 E456 M467 Y468 L470	I423-V458 HydrophobicContact CD1-CG1 4.29Å; I423-V458 PolarHBondContact N-O 2.65Å; V426-V458 HydrophobicContact CG1-CB 4.33Å; V426-V458 HydrophobicContact CG1-CG2 3.89Å; V426-V458 HydrophobicContact CG2-CB 4.27Å; V426-V458 HydrophobicContact CG2-CG2 4.33Å; L438-V458 HydrophobicContact CB-CG2 4.03Å; L438-V458 HydrophobicContact CD1-CG1 4.47Å; L438-V458 HydrophobicContact CD2-CG1 3.96Å; L438-V458 HydrophobicContact CD2-CG2 3.93Å; L438-V458 VanDerWaalsContact O-CG2 3.24Å; L438-V458 WeakPolarHBondContact O-CG2 3.19Å; E456-V458 PolarHBondContact O-N 2.8Å; V458-M467 HydrophobicContact CG1-CB 4.3Å; V458-Y468 WeakPolarHBondContact CA-O 3.1Å; V458-L470 VanDerWaalsContact C-CD1 3.4Å
459	G	92.7	Very high	85.2	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.3	-176.8	0	0	0	0	0	112.4	E421 M467 Y468 L470	E421-G459 CarbonylContact O-C 3.52Å; E421-G459 VanDerWaalsContact O-CA 3.32Å; E421-G459 WeakPolarHBondContact O-CA 3.1Å; G459-M467 WeakPolarHBondContact O-CA 3.32Å; G459-Y468 PolarHBondContact N-O 3.16Å; G459-Y468 PolarHBondContact O-N 2.6Å; G459-Y468 VanDerWaalsContact O-N 3.12Å; G459-L470 VanDerWaalsContact CA-CD1 3.44Å; G459-L470 VanDerWaalsContact N-CD1 3.25Å
460	K	95.3	Very high	86.8	Confident	83 Å²	83	51.9 Å²	51.9	36%	0.361	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.7	175.3	-161.7	176.8	-179.7	175.8	0	110.4	T420 E421 I423 G462 G465 M467	T420-K460 CarbonylContact C-O 3.56Å; T420-K460 VanDerWaalsContact CA-O 3.24Å; T420-K460 WeakPolarHBondContact CA-O 3.47Å; E421-K460 HydrophobicContact CB-CB 4.38Å; E421-K460 PolarHBondContact N-O 2.92Å; E421-K460 PolarHBondContact O-N 2.8Å; I423-K460 HydrophobicContact CD1-CB 3.72Å; I423-K460 HydrophobicContact CD1-CD 4.43Å; I423-K460 HydrophobicContact CD1-CG 4.3Å; I423-K460 HydrophobicContact CG1-CB 3.96Å; K460-G462 PolarHBondContact O-N 2.85Å; K460-G465 WeakPolarHBondContact CE-O 3.25Å; K460-G465 WeakPolarHBondContact CG-O 3.34Å; K460-M467 HydrophobicContact CB-CG 4.3Å; K460-M467 HydrophobicContact CG-CG 4.02Å
461	L	94.5	Very high	88.3	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	116.2	173.7	-68.4	-179.8	0	0	0	110.6	T420 K463 C464 G465 H466 Y468 L473 L486 C488 Y495	T420-L461 HydrophobicContact CG2-CD2 3.84Å; L461-K463 PolarHBondContact O-N 2.95Å; L461-K463 VanDerWaalsContact O-N 3.14Å; L461-C464 PolarHBondContact O-N 2.76Å; L461-G465 WeakPolarHBondContact O-CA 3.4Å; L461-G465 PolarHBondContact O-N 2.85Å; L461-H466 PolarHBondContact N-O 2.84Å; L461-Y468 HydrophobicContact CD1-CD2 4.2Å; L461-Y468 HydrophobicContact CD1-CE2 3.65Å; L461-Y468 HydrophobicContact CG-CD2 4.3Å; L461-Y468 HydrophobicContact CG-CE2 4.14Å; L461-L473 HydrophobicContact CD2-CD1 4.19Å; L461-L486 HydrophobicContact CD2-CD2 3.77Å; L461-C488 HydrophobicContact CD1-CB 3.74Å; L461-Y495 HydrophobicContact CB-CE1 4.4Å; L461-Y495 HydrophobicContact CB-CE2 4.07Å; L461-Y495 WeakPolarHBondContact CB-OH 3.29Å; L461-Y495 HydrophobicContact CD1-CE2 4.11Å; L461-Y495 HydrophobicContact CG-CE2 4.49Å; L461-Y495 PolarHBondContact O-OH 2.88Å
462	G	91.1	Very high	89.8	Confident	44 Å²	44	39 Å²	39	45%	0.454	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.1	-161.3	0	0	0	0	0	117.5	Y419 K460	Y419-G462 PolarHBondContact O-N 2.86Å; K460-G462 PolarHBondContact O-N 2.85Å
463	K	89.3	Confident	91	Very high	150 Å²	150	37 Å²	37	65%	0.652	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-32.8	-179.8	-62.5	178	177.3	-177.6	0	113.5	L461 T493 I494 Y495	L461-K463 PolarHBondContact O-N 2.95Å; L461-K463 VanDerWaalsContact O-N 3.14Å; K463-T493 HydrophobicContact CB-CG2 4.33Å; K463-T493 HydrophobicContact CD-CG2 4.23Å; K463-I494 PolarHBondContact NZ-O 3.44Å; K463-Y495 WeakPolarHBondContact CA-OH 3.35Å; K463-Y495 HydrophobicContact CB-CE1 3.75Å; K463-Y495 WeakPolarHBondContact CB-OH 3.47Å; K463-Y495 HydrophobicContact CD-CD1 4.23Å; K463-Y495 HydrophobicContact CD-CE1 3.96Å; K463-Y495 HydrophobicContact CG-CD1 4.24Å; K463-Y495 HydrophobicContact CG-CE1 3.61Å; K463-Y495 PolarHBondContact N-OH 3.35Å
464	C	92.9	Very high	91.6	Very high	32 Å²	32	36.5 Å²	36.5	22%	0.216	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-0.3	-169.5	68.7	0	0	0	0	113.8	L461 H466 C491 T493 Y495	L461-C464 PolarHBondContact O-N 2.76Å; C464-H466 PolarHBondContact O-N 2.94Å; C464-H466 PolarHBondContact O-ND1 3.03Å; C464-H466 PolarHBondContact SG-ND1 3.29Å; C464-C491 VanDerWaalsContact CB-SG 3.51Å; C464-C491 PolarHBondContact SG-SG 3.39Å; C464-T493 HydrophobicContact CB-CG2 4.41Å; C464-Y495 PolarHBondContact N-OH 2.98Å; C464-Y495 PolarHBondContact SG-OH 3.47Å
465	G	92.6	Very high	91.8	Very high	25 Å²	25	29.8 Å²	29.8	26%	0.258	16%	0.162	S	C	.	.			trans	70.9	-7.3	171.5	0	0	0	0	0	117.1	K460 L461 M467	K460-G465 WeakPolarHBondContact CE-O 3.25Å; K460-G465 WeakPolarHBondContact CG-O 3.34Å; L461-G465 WeakPolarHBondContact O-CA 3.4Å; L461-G465 PolarHBondContact O-N 2.85Å; G465-M467 WeakPolarHBondContact O-CG 3.46Å
466	H	94.6	Very high	92	Very high	59 Å²	59	31.2 Å²	31.2	27%	0.273	17%	0.167	S	C	.	.			trans	-67	145.2	-177.9	-66.9	78.1	0	0	0	112.1	L461 C464 Y468 T490 C491	L461-H466 PolarHBondContact N-O 2.84Å; C464-H466 PolarHBondContact O-N 2.94Å; C464-H466 PolarHBondContact O-ND1 3.03Å; C464-H466 PolarHBondContact SG-ND1 3.29Å; H466-Y468 HydrophobicContact CB-CE2 3.64Å; H466-Y468 WeakPolarHBondContact CB-OH 3.37Å; H466-T490 VanDerWaalsContact CD2-CB 3.49Å; H466-T490 WeakPolarHBondContact CD2-CB 3.48Å; H466-T490 WeakPolarHBondContact NE2-CG2 3.48Å; H466-C491 VanDerWaalsContact CE1-SG 3.51Å
467	M	94.5	Very high	92.1	Very high	42 Å²	42	27 Å²	27	21%	0.207	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	137.2	-166.8	-63.9	171.7	-72.9	0	0	111.4	I423 P427 E429 L438 V458 G459 K460 G465	I423-M467 HydrophobicContact CD1-CB 4.37Å; I423-M467 HydrophobicContact CD1-CG 3.55Å; I423-M467 HydrophobicContact CD1-SD 3.32Å; I423-M467 WeakPolarHBondContact CD1-SD 3.42Å; P427-M467 HydrophobicContact CG-CE 3.74Å; P427-M467 HydrophobicContact CG-SD 3.76Å; E429-M467 WeakPolarHBondContact OE2-CE 3.11Å; L438-M467 HydrophobicContact CD1-CB 3.83Å; V458-M467 HydrophobicContact CG1-CB 4.3Å; G459-M467 WeakPolarHBondContact O-CA 3.32Å; K460-M467 HydrophobicContact CB-CG 4.3Å; K460-M467 HydrophobicContact CG-CG 4.02Å; G465-M467 WeakPolarHBondContact O-CG 3.46Å
468	Y	95	Very high	91.8	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	156.8	-176.5	-50.1	-84.7	0	0	0	110.3	T432 I433 V458 G459 L461 H466 L470 L473 C488 P489 T490	T432-Y468 WeakPolarHBondContact OG1-CE1 3.41Å; I433-Y468 HydrophobicContact CD1-CD1 3.5Å; I433-Y468 HydrophobicContact CD1-CE1 4.15Å; I433-Y468 HydrophobicContact CD1-CG 3.87Å; I433-Y468 HydrophobicContact CG1-CD1 3.7Å; I433-Y468 HydrophobicContact CG1-CE1 4.09Å; V458-Y468 WeakPolarHBondContact CA-O 3.1Å; G459-Y468 PolarHBondContact N-O 3.16Å; G459-Y468 PolarHBondContact O-N 2.6Å; G459-Y468 VanDerWaalsContact O-N 3.12Å; L461-Y468 HydrophobicContact CD1-CD2 4.2Å; L461-Y468 HydrophobicContact CD1-CE2 3.65Å; L461-Y468 HydrophobicContact CG-CD2 4.3Å; L461-Y468 HydrophobicContact CG-CE2 4.14Å; H466-Y468 HydrophobicContact CB-CE2 3.64Å; H466-Y468 WeakPolarHBondContact CB-OH 3.37Å; Y468-L470 PolarHBondContact O-N 3.19Å; Y468-L473 HydrophobicContact CD2-CD1 4.07Å; Y468-L473 HydrophobicContact CD2-CD2 3.89Å; Y468-L473 HydrophobicContact CD2-CG 4.23Å; Y468-L473 HydrophobicContact CE2-CD2 4.5Å; Y468-L473 HydrophobicContact CG-CD1 4.39Å; Y468-L473 HydrophobicContact CG-CD2 4.06Å; Y468-L473 HydrophobicContact CG-CG 4.2Å; Y468-C488 PolarHBondContact OH-SG 3.05Å; Y468-P489 HydrophobicContact CD1-CG 4.26Å; Y468-P489 HydrophobicContact CE1-CG 3.49Å; Y468-P489 VanDerWaalsContact CE1-CG 3.49Å; Y468-P489 HydrophobicContact CE2-CG 4.4Å; Y468-P489 WeakPolarHBondContact OH-CD 3.05Å; Y468-T490 WeakPolarHBondContact OH-CB 3.5Å; Y468-T490 PolarHBondContact OH-N 3.28Å; Y468-T490 PolarHBondContact OH-OG1 3.06Å
469	H	93.1	Very high	91.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	136.9	162.3	-51.5	95	0	0	0	110.1	C431 R437 M440 P455 L457 L471 C472 L473	C431-H469 VanDerWaalsContact CB-ND1 3.32Å; C431-H469 WeakPolarHBondContact CB-ND1 3.36Å; R437-H469 PolarHBondContact O-NE2 3.22Å; M440-H469 PolarHBondContact O-NE2 3.27Å; P455-H469 PolarHBondContact O-CD2 3.31Å; L457-H469 CarbonylContact O-C 3.55Å; L457-H469 WeakPolarHBondContact O-CA 3.35Å; H469-L471 PolarHBondContact O-N 3Å; H469-C472 HydrophobicContact CB-CB 4.23Å; H469-C472 WeakPolarHBondContact O-CB 3.49Å; H469-C472 PolarHBondContact O-N 3.32Å; H469-C472 VanDerWaalsContact O-N 3.16Å; H469-L473 PolarHBondContact O-N 3.48Å
470	L	91.9	Very high	90.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-35.9	176.3	-91.4	70.8	0	0	0	111	V416 R417 I453 L457 V458 G459 Y468 L473 V474	V416-L470 HydrophobicContact CG1-CG 4.46Å; R417-L470 HydrophobicContact CG-CD2 4.41Å; I453-L470 HydrophobicContact CD1-CB 4.43Å; I453-L470 HydrophobicContact CG2-CB 3.76Å; L457-L470 HydrophobicContact CB-CB 4.45Å; L457-L470 HydrophobicContact CB-CD1 4.33Å; L457-L470 WeakPolarHBondContact O-CD1 3.44Å; L457-L470 PolarHBondContact O-N 2.85Å; V458-L470 VanDerWaalsContact C-CD1 3.4Å; G459-L470 VanDerWaalsContact CA-CD1 3.44Å; G459-L470 VanDerWaalsContact N-CD1 3.25Å; Y468-L470 PolarHBondContact O-N 3.19Å; L470-L473 PolarHBondContact O-N 3.34Å; L470-V474 WeakPolarHBondContact O-CG2 3.41Å; L470-V474 PolarHBondContact O-N 2.98Å
471	L	90.7	Very high	90	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-42.7	178.1	-169.3	63	0	0	0	111.6	L448 I453 H469 L473 V474 A475	L448-L471 HydrophobicContact CB-CD1 4.28Å; L448-L471 HydrophobicContact CD1-CD1 4.02Å; I453-L471 HydrophobicContact CG2-CB 4.37Å; H469-L471 PolarHBondContact O-N 3Å; L471-L473 PolarHBondContact O-N 2.74Å; L471-V474 PolarHBondContact O-N 2.86Å; L471-A475 WeakPolarHBondContact O-CB 3.03Å; L471-A475 PolarHBondContact O-N 3.38Å
472	C	91.6	Very high	89.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.3	-44.7	173.5	-68	0	0	0	0	112.3	I433 S442 Y444 H469 V474 A475 M476	I433-C472 HydrophobicContact CB-CB 3.83Å; I433-C472 HydrophobicContact CD1-CB 3.75Å; I433-C472 HydrophobicContact CG1-CB 4.37Å; I433-C472 HydrophobicContact CG2-CB 3.85Å; S442-C472 PolarHBondContact OG-SG 2.88Å; Y444-C472 HydrophobicContact CD2-CB 4.38Å; H469-C472 HydrophobicContact CB-CB 4.23Å; H469-C472 WeakPolarHBondContact O-CB 3.49Å; H469-C472 PolarHBondContact O-N 3.32Å; H469-C472 VanDerWaalsContact O-N 3.16Å; C472-V474 VanDerWaalsContact C-N 3.35Å; C472-V474 PolarHBondContact O-N 3.17Å; C472-A475 WeakPolarHBondContact O-CB 3.16Å; C472-A475 PolarHBondContact O-N 3.29Å; C472-M476 WeakPolarHBondContact O-CB 3.14Å; C472-M476 PolarHBondContact O-N 2.87Å
473	L	91.8	Very high	89	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-66.3	-36.1	177.3	-71.9	172.6	0	0	0	112.3	V416 T420 I433 L461 Y468 H469 L470 L471 M476 Y477	V416-L473 HydrophobicContact CG1-CB 3.68Å; V416-L473 HydrophobicContact CG1-CD1 4.08Å; V416-L473 HydrophobicContact CG2-CB 4.05Å; T420-L473 HydrophobicContact CG2-CD1 3.52Å; I433-L473 HydrophobicContact CD1-CD2 3.83Å; I433-L473 HydrophobicContact CD1-CG 4.25Å; L461-L473 HydrophobicContact CD2-CD1 4.19Å; Y468-L473 HydrophobicContact CD2-CD1 4.07Å; Y468-L473 HydrophobicContact CD2-CD2 3.89Å; Y468-L473 HydrophobicContact CD2-CG 4.23Å; Y468-L473 HydrophobicContact CE2-CD2 4.5Å; Y468-L473 HydrophobicContact CG-CD1 4.39Å; Y468-L473 HydrophobicContact CG-CD2 4.06Å; Y468-L473 HydrophobicContact CG-CG 4.2Å; H469-L473 PolarHBondContact O-N 3.48Å; L470-L473 PolarHBondContact O-N 3.34Å; L471-L473 PolarHBondContact O-N 2.74Å; L473-M476 HydrophobicContact CD2-CE 3.76Å; L473-Y477 WeakPolarHBondContact O-CB 3.29Å; L473-Y477 PolarHBondContact O-N 2.69Å
474	V	90	Very high	88.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-69.5	-38.2	174.1	168.2	0	0	0	0	111.4	P412 V416 I453 L470 L471 C472 Y477 N478	P412-V474 HydrophobicContact CB-CG1 4.01Å; V416-V474 HydrophobicContact CB-CG2 3.92Å; V416-V474 HydrophobicContact CG1-CG2 4.27Å; V416-V474 HydrophobicContact CG2-CG2 3.65Å; I453-V474 HydrophobicContact CD1-CG2 3.69Å; L470-V474 WeakPolarHBondContact O-CG2 3.41Å; L470-V474 PolarHBondContact O-N 2.98Å; L471-V474 PolarHBondContact O-N 2.86Å; C472-V474 VanDerWaalsContact C-N 3.35Å; C472-V474 PolarHBondContact O-N 3.17Å; V474-Y477 PolarHBondContact O-N 2.83Å; V474-N478 VanDerWaalsContact CG1-ND2 3.33Å; V474-N478 WeakPolarHBondContact CG1-ND2 3.27Å; V474-N478 WeakPolarHBondContact O-CB 3.19Å; V474-N478 PolarHBondContact O-N 2.99Å; V474-N478 PolarHBondContact O-ND2 3.33Å
475	A	89.2	Confident	88.6	Confident	3 Å²	3	30.3 Å²	30.3	3%	0.025	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-51.8	172.4	0	0	0	0	0	111.2	Y444 L448 L471 C472 Y477 N478 N479	Y444-A475 HydrophobicContact CD1-CB 3.79Å; Y444-A475 HydrophobicContact CD2-CB 4.39Å; Y444-A475 HydrophobicContact CE1-CB 3.99Å; Y444-A475 HydrophobicContact CG-CB 4Å; L448-A475 HydrophobicContact CD1-CB 3.67Å; L471-A475 WeakPolarHBondContact O-CB 3.03Å; L471-A475 PolarHBondContact O-N 3.38Å; C472-A475 WeakPolarHBondContact O-CB 3.16Å; C472-A475 PolarHBondContact O-N 3.29Å; A475-Y477 PolarHBondContact O-N 3.44Å; A475-N478 PolarHBondContact O-N 3.17Å; A475-N479 PolarHBondContact O-N 3.3Å; A475-N479 VanDerWaalsContact O-N 3.16Å
476	M	90.4	Very high	88.5	Confident	53 Å²	53	29.2 Å²	29.2	26%	0.261	16%	0.157	S	C	.	.	H	α-helix	trans	-57.4	-46	177.2	-175.6	-172.8	72.3	0	0	112	I433 C472 L473 N479 G480 L486 Q487 P489	I433-M476 HydrophobicContact CD1-SD 4.46Å; C472-M476 WeakPolarHBondContact O-CB 3.14Å; C472-M476 PolarHBondContact O-N 2.87Å; L473-M476 HydrophobicContact CD2-CE 3.76Å; M476-N479 PolarHBondContact O-N 3.1Å; M476-G480 PolarHBondContact O-N 3.41Å; M476-L486 HydrophobicContact CE-CD1 3.56Å; M476-L486 HydrophobicContact CE-CG 4.37Å; M476-Q487 VanDerWaalsContact CE-O 3.27Å; M476-Q487 WeakPolarHBondContact CE-O 3.35Å; M476-P489 HydrophobicContact SD-CB 3.99Å; M476-P489 HydrophobicContact SD-CG 3.97Å
477	Y	88.7	Confident	88.4	Confident	10 Å²	10	29.4 Å²	29.4	4%	0.039	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-37.9	178	178.5	-93.7	0	0	0	112.6	P412 V415 L473 V474 A475 N479 G480 K482 G484 S485 L486	P412-Y477 HydrophobicContact CB-CD1 3.74Å; P412-Y477 HydrophobicContact CB-CE1 4.05Å; P412-Y477 HydrophobicContact CG-CD1 4.14Å; P412-Y477 HydrophobicContact CG-CE1 4.11Å; V415-Y477 HydrophobicContact CB-CE1 4.41Å; V415-Y477 HydrophobicContact CB-CE2 4.21Å; V415-Y477 HydrophobicContact CG1-CD2 4.13Å; V415-Y477 HydrophobicContact CG1-CE2 3.66Å; V415-Y477 HydrophobicContact CG2-CE1 4.44Å; V415-Y477 HydrophobicContact CG2-CE2 4.46Å; L473-Y477 WeakPolarHBondContact O-CB 3.29Å; L473-Y477 PolarHBondContact O-N 2.69Å; V474-Y477 PolarHBondContact O-N 2.83Å; A475-Y477 PolarHBondContact O-N 3.44Å; Y477-N479 VanDerWaalsContact C-N 3.31Å; Y477-N479 PolarHBondContact O-N 3.22Å; Y477-G480 PolarHBondContact O-N 2.9Å; Y477-G480 VanDerWaalsContact O-N 3.14Å; Y477-K482 HydrophobicContact CD1-CG 4.1Å; Y477-K482 HydrophobicContact CE1-CB 4.07Å; Y477-K482 HydrophobicContact CE1-CG 3.75Å; Y477-K482 WeakPolarHBondContact O-CG 3.38Å; Y477-K482 WeakPolarHBondContact OH-CA 3.16Å; Y477-K482 PolarHBondContact OH-O 3.31Å; Y477-G484 WeakPolarHBondContact OH-CA 3.4Å; Y477-G484 PolarHBondContact OH-N 3.47Å; Y477-S485 WeakPolarHBondContact CD2-O 3.4Å; Y477-S485 VanDerWaalsContact CE2-O 3.23Å; Y477-S485 WeakPolarHBondContact CE2-O 3.41Å; Y477-L486 HydrophobicContact CD2-CD1 4.38Å
478	N	85.1	Confident	88.3	Confident	33 Å²	33	27.4 Å²	27.4	18%	0.176	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-34.5	178.9	-84.8	-47.9	0	0	0	113.5	P412 H450 V474 A475 G480 K482	P412-N478 WeakPolarHBondContact CG-OD1 3.3Å; H450-N478 PolarHBondContact NE2-ND2 3.41Å; V474-N478 VanDerWaalsContact CG1-ND2 3.33Å; V474-N478 WeakPolarHBondContact CG1-ND2 3.27Å; V474-N478 WeakPolarHBondContact O-CB 3.19Å; V474-N478 PolarHBondContact O-N 2.99Å; V474-N478 PolarHBondContact O-ND2 3.33Å; A475-N478 PolarHBondContact O-N 3.17Å; N478-G480 VanDerWaalsContact C-N 3.28Å; N478-K482 PolarHBondContact O-NZ 3.47Å
479	N	82.6	Confident	88	Confident	141 Å²	141	28.8 Å²	28.8	75%	0.754	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-10.7	176	-67.7	-17.9	0	0	0	113.2	A475 M476 Y477	A475-N479 PolarHBondContact O-N 3.3Å; A475-N479 VanDerWaalsContact O-N 3.16Å; M476-N479 PolarHBondContact O-N 3.1Å; Y477-N479 VanDerWaalsContact C-N 3.31Å; Y477-N479 PolarHBondContact O-N 3.22Å
480	G	81.5	Confident	87.9	Confident	33 Å²	33	32 Å²	32	34%	0.34	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-169.1	176.9	0	0	0	0	0	114.7	M476 Y477 N478 K482	M476-G480 PolarHBondContact O-N 3.41Å; Y477-G480 PolarHBondContact O-N 2.9Å; Y477-G480 VanDerWaalsContact O-N 3.14Å; N478-G480 VanDerWaalsContact C-N 3.28Å; G480-K482 WeakPolarHBondContact O-CE 3.39Å; G480-K482 PolarHBondContact O-N 3.38Å; G480-K482 VanDerWaalsContact O-N 3.12Å
481	N	78.3	Confident	87.7	Confident	82 Å²	82	34.4 Å²	34.4	44%	0.439	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.4	-175.2	-62.8	-5.3	0	0	0	114.7	D483 T499	N481-D483 PolarHBondContact O-N 3.35Å; N481-T499 PolarHBondContact ND2-O 3.27Å
482	K	83.1	Confident	87.5	Confident	94 Å²	94	40.1 Å²	40.1	41%	0.409	22%	0.218	S	C	.	.			trans	52.7	33.9	-179	-68.3	165	-72.4	-138.8	0	114.7	Y477 N478 G480 G484	Y477-K482 HydrophobicContact CD1-CG 4.1Å; Y477-K482 HydrophobicContact CE1-CB 4.07Å; Y477-K482 HydrophobicContact CE1-CG 3.75Å; Y477-K482 WeakPolarHBondContact O-CG 3.38Å; Y477-K482 WeakPolarHBondContact OH-CA 3.16Å; Y477-K482 PolarHBondContact OH-O 3.31Å; N478-K482 PolarHBondContact O-NZ 3.47Å; G480-K482 WeakPolarHBondContact O-CE 3.39Å; G480-K482 PolarHBondContact O-N 3.38Å; G480-K482 VanDerWaalsContact O-N 3.12Å; K482-G484 VanDerWaalsContact C-N 3.27Å; K482-G484 PolarHBondContact O-N 2.97Å
483	D	81.4	Confident	87.4	Confident	37 Å²	37	42.4 Å²	42.4	20%	0.198	23%	0.232	C	C	.	.	S	Bend	trans	-74.6	-14.4	179.3	63.1	-6.1	0	0	0	114.3	N481 S485 T499	N481-D483 PolarHBondContact O-N 3.35Å; D483-S485 VanDerWaalsContact CG-OG 3.29Å; D483-S485 WeakPolarHBondContact OD1-CB 3.36Å; D483-S485 PolarHBondContact OD1-N 3.48Å; D483-S485 PolarHBondContact OD1-OG 2.81Å; D483-S485 PolarHBondContact OD2-OG 3.11Å; D483-S485 VanDerWaalsContact OD2-OG 3.09Å; D483-T499 WeakPolarHBondContact CB-OG1 3.34Å; D483-T499 PolarHBondContact OD2-N 2.97Å; D483-T499 PolarHBondContact OD2-OG1 3.21Å
484	G	85.1	Confident	87.3	Confident	2 Å²	2	43.5 Å²	43.5	2%	0.021	24%	0.237	C	C	.	.	S	Bend	trans	94.4	10.6	-175.5	0	0	0	0	0	114.2	Y477 K482	Y477-G484 WeakPolarHBondContact OH-CA 3.4Å; Y477-G484 PolarHBondContact OH-N 3.47Å; K482-G484 VanDerWaalsContact C-N 3.27Å; K482-G484 PolarHBondContact O-N 2.97Å
485	S	90.1	Very high	87.3	Confident	11 Å²	11	43.8 Å²	43.8	8%	0.077	24%	0.238	C	C	.	.			trans	-93	160.2	161.6	75.7	0	0	0	0	111.1	Y477 D483 Y495	Y477-S485 WeakPolarHBondContact CD2-O 3.4Å; Y477-S485 VanDerWaalsContact CE2-O 3.23Å; Y477-S485 WeakPolarHBondContact CE2-O 3.41Å; D483-S485 VanDerWaalsContact CG-OG 3.29Å; D483-S485 WeakPolarHBondContact OD1-CB 3.36Å; D483-S485 PolarHBondContact OD1-N 3.48Å; D483-S485 PolarHBondContact OD1-OG 2.81Å; D483-S485 PolarHBondContact OD2-OG 3.11Å; D483-S485 VanDerWaalsContact OD2-OG 3.09Å; S485-Y495 CarbonylContact C-O 3.51Å; S485-Y495 WeakPolarHBondContact CA-O 3.28Å; S485-Y495 WeakPolarHBondContact CB-O 3.5Å
486	L	90.7	Very high	87.3	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.7	172.9	-174	68.7	0	0	0	108.5	V416 Y419 L461 M476 Y477 Y495	V416-L486 HydrophobicContact CG2-CD1 4.49Å; V416-L486 HydrophobicContact CG2-CD2 4.49Å; Y419-L486 HydrophobicContact CD2-CB 3.99Å; L461-L486 HydrophobicContact CD2-CD2 3.77Å; M476-L486 HydrophobicContact CE-CD1 3.56Å; M476-L486 HydrophobicContact CE-CG 4.37Å; Y477-L486 HydrophobicContact CD2-CD1 4.38Å; L486-Y495 PolarHBondContact N-O 2.64Å; L486-Y495 WeakPolarHBondContact O-CB 3.49Å; L486-Y495 PolarHBondContact O-N 2.97Å
487	Q	91.2	Very high	87.2	Confident	62 Å²	62	47.4 Å²	47.4	29%	0.29	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.4	177	-170.7	162.2	16.6	0	0	109.5	M476 K492 I494 K498	M476-Q487 VanDerWaalsContact CE-O 3.27Å; M476-Q487 WeakPolarHBondContact CE-O 3.35Å; Q487-K492 WeakPolarHBondContact CG-O 3.35Å; Q487-K492 PolarHBondContact NE2-O 3.04Å; Q487-I494 HydrophobicContact CG-CG1 4.16Å; Q487-K498 VanDerWaalsContact OE1-NZ 3.12Å
488	C	92.4	Very high	87.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.27	C	S	.	.			trans	-63.6	124.1	175.5	-178.4	0	0	0	0	109.9	L461 Y468 T490 C491 K492 T493	L461-C488 HydrophobicContact CD1-CB 3.74Å; Y468-C488 PolarHBondContact OH-SG 3.05Å; C488-T490 PolarHBondContact O-N 2.89Å; C488-C491 PolarHBondContact SG-SG 3.3Å; C488-K492 WeakPolarHBondContact O-CA 3.47Å; C488-K492 PolarHBondContact O-N 3Å; C488-T493 PolarHBondContact N-O 3.33Å
489	P	89.8	Confident	87.5	Confident	32 Å²	32	48.9 Å²	48.9	21%	0.208	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-34.7	-177.9	25	-32.6	0	0	0	112.5	I433 Y468 M476 K492	I433-P489 HydrophobicContact CD1-CG 3.96Å; I433-P489 HydrophobicContact CG1-CG 3.82Å; Y468-P489 HydrophobicContact CD1-CG 4.26Å; Y468-P489 HydrophobicContact CE1-CG 3.49Å; Y468-P489 VanDerWaalsContact CE1-CG 3.49Å; Y468-P489 HydrophobicContact CE2-CG 4.4Å; Y468-P489 WeakPolarHBondContact OH-CD 3.05Å; M476-P489 HydrophobicContact SD-CB 3.99Å; M476-P489 HydrophobicContact SD-CG 3.97Å; P489-K492 WeakPolarHBondContact O-CE 3.41Å; P489-K492 PolarHBondContact O-NZ 2.77Å
490	T	89.4	Confident	87.9	Confident	68 Å²	68	42.5 Å²	42.5	42%	0.417	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-67.9	176.7	-56.2	0	0	0	0	112.2	T432 H466 Y468 C488	T432-T490 PolarHBondContact OG1-OG1 3.36Å; H466-T490 VanDerWaalsContact CD2-CB 3.49Å; H466-T490 WeakPolarHBondContact CD2-CB 3.48Å; H466-T490 WeakPolarHBondContact NE2-CG2 3.48Å; Y468-T490 WeakPolarHBondContact OH-CB 3.5Å; Y468-T490 PolarHBondContact OH-N 3.28Å; Y468-T490 PolarHBondContact OH-OG1 3.06Å; C488-T490 PolarHBondContact O-N 2.89Å
491	C	87.8	Confident	88.4	Confident	51 Å²	51	41.4 Å²	41.4	35%	0.345	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	7.6	-170.8	70.6	0	0	0	0	115.6	C464 H466 C488 T493	C464-C491 VanDerWaalsContact CB-SG 3.51Å; C464-C491 PolarHBondContact SG-SG 3.39Å; H466-C491 VanDerWaalsContact CE1-SG 3.51Å; C488-C491 PolarHBondContact SG-SG 3.3Å; C491-T493 PolarHBondContact O-N 2.65Å; C491-T493 PolarHBondContact SG-OG1 3.26Å
492	K	88.1	Confident	89.2	Confident	128 Å²	128	37.6 Å²	37.6	56%	0.557	21%	0.207	S	C	*	.			trans	59.7	2.8	177.7	-47.6	-51	-178.1	-167.3	0	116.9	Q487 C488 P489 I494	Q487-K492 WeakPolarHBondContact CG-O 3.35Å; Q487-K492 PolarHBondContact NE2-O 3.04Å; C488-K492 WeakPolarHBondContact O-CA 3.47Å; C488-K492 PolarHBondContact O-N 3Å; P489-K492 WeakPolarHBondContact O-CE 3.41Å; P489-K492 PolarHBondContact O-NZ 2.77Å; K492-I494 PolarHBondContact O-N 3.12Å
493	T	88.6	Confident	89.7	Confident	48 Å²	48	33.1 Å²	33.1	29%	0.294	19%	0.187	S	C	.	.			trans	-52.9	132.2	174.6	-54.6	0	0	0	0	111.9	K463 C464 C488 C491 Y495	K463-T493 HydrophobicContact CB-CG2 4.33Å; K463-T493 HydrophobicContact CD-CG2 4.23Å; C464-T493 HydrophobicContact CB-CG2 4.41Å; C488-T493 PolarHBondContact N-O 3.33Å; C491-T493 PolarHBondContact O-N 2.65Å; C491-T493 PolarHBondContact SG-OG1 3.26Å; T493-Y495 HydrophobicContact CG2-CE2 3.96Å
494	I	90.4	Very high	90.2	Very high	22 Å²	22	34.3 Å²	34.3	11%	0.113	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.5	-179.1	-66.5	164.3	0	0	0	111.3	K463 Q487 K492 K498 A630 Q631	K463-I494 PolarHBondContact NZ-O 3.44Å; Q487-I494 HydrophobicContact CG-CG1 4.16Å; K492-I494 PolarHBondContact O-N 3.12Å; I494-K498 HydrophobicContact CD1-CB 4.37Å; I494-K498 HydrophobicContact CD1-CD 3.65Å; I494-K498 HydrophobicContact CG1-CD 4.35Å; I494-K498 HydrophobicContact CG2-CB 3.97Å; I494-A630 WeakPolarHBondContact CD1-O 3.5Å; I494-Q631 VanDerWaalsContact CD1-C 3.48Å
495	Y	89.4	Confident	90.7	Very high	6 Å²	6	34.7 Å²	34.7	2%	0.024	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	134	174.7	-65.3	-100.3	0	0	0	109.3	Y419 L461 K463 C464 S485 L486 T493	Y419-Y495 HydrophobicContact CD1-CD1 4.06Å; Y419-Y495 HydrophobicContact CD1-CG 4.41Å; Y419-Y495 HydrophobicContact CG-CD1 4.08Å; Y419-Y495 HydrophobicContact CG-CG 4.16Å; L461-Y495 HydrophobicContact CB-CE1 4.4Å; L461-Y495 HydrophobicContact CB-CE2 4.07Å; L461-Y495 WeakPolarHBondContact CB-OH 3.29Å; L461-Y495 HydrophobicContact CD1-CE2 4.11Å; L461-Y495 HydrophobicContact CG-CE2 4.49Å; L461-Y495 PolarHBondContact O-OH 2.88Å; K463-Y495 WeakPolarHBondContact CA-OH 3.35Å; K463-Y495 HydrophobicContact CB-CE1 3.75Å; K463-Y495 WeakPolarHBondContact CB-OH 3.47Å; K463-Y495 HydrophobicContact CD-CD1 4.23Å; K463-Y495 HydrophobicContact CD-CE1 3.96Å; K463-Y495 HydrophobicContact CG-CD1 4.24Å; K463-Y495 HydrophobicContact CG-CE1 3.61Å; K463-Y495 PolarHBondContact N-OH 3.35Å; C464-Y495 PolarHBondContact N-OH 2.98Å; C464-Y495 PolarHBondContact SG-OH 3.47Å; S485-Y495 CarbonylContact C-O 3.51Å; S485-Y495 WeakPolarHBondContact CA-O 3.28Å; S485-Y495 WeakPolarHBondContact CB-O 3.5Å; L486-Y495 PolarHBondContact N-O 2.64Å; L486-Y495 WeakPolarHBondContact O-CB 3.49Å; L486-Y495 PolarHBondContact O-N 2.97Å; T493-Y495 HydrophobicContact CG2-CE2 3.96Å
496	G	88.6	Confident	90.9	Very high	39 Å²	39	37.6 Å²	37.6	40%	0.402	21%	0.212	S	C	.	.	S	Bend	trans	75.7	-161.7	-170.4	0	0	0	0	0	113.1	Y419	Y419-G496 VanDerWaalsContact OH-CA 3.26Å; Y419-G496 WeakPolarHBondContact OH-CA 3.49Å
497	E	89	Confident	91.2	Very high	94 Å²	94	37.5 Å²	37.5	44%	0.439	21%	0.212	S	C	.	.			trans	-105.1	108.9	178.2	175.2	169.5	70.5	0	0	108.9	T499 R577	E497-T499 HydrophobicContact CG-CG2 4.44Å; E497-R577 IonicContact OE2-CZ 3.06Å; E497-R577 VanDerWaalsContact OE2-CZ 3.28Å; E497-R577 IonicContact OE2-NE 2.74Å; E497-R577 PolarHBondContact OE2-NE 3Å; E497-R577 IonicContact OE2-NH2 3.73Å; E497-R577 PolarHBondContact OE2-NH2 2.95Å
498	K	89.5	Confident	91.4	Very high	35 Å²	35	37.3 Å²	37.3	15%	0.152	21%	0.211	C	C	.	.			trans	-71.4	135.1	177.2	-173.2	177.3	-177.2	-179.8	0	110.3	Q487 I494 L579	Q487-K498 VanDerWaalsContact OE1-NZ 3.12Å; I494-K498 HydrophobicContact CD1-CB 4.37Å; I494-K498 HydrophobicContact CD1-CD 3.65Å; I494-K498 HydrophobicContact CG1-CD 4.35Å; I494-K498 HydrophobicContact CG2-CB 3.97Å; K498-L579 HydrophobicContact CG-CD2 4.35Å
499	T	90.4	Very high	91.6	Very high	39 Å²	39	37.3 Å²	37.3	24%	0.239	21%	0.211	C	C	.	.			trans	-134.4	151.1	174.4	65.3	0	0	0	0	110.6	N481 D483 E497 R577	N481-T499 PolarHBondContact ND2-O 3.27Å; D483-T499 WeakPolarHBondContact CB-OG1 3.34Å; D483-T499 PolarHBondContact OD2-N 2.97Å; D483-T499 PolarHBondContact OD2-OG1 3.21Å; E497-T499 HydrophobicContact CG-CG2 4.44Å; T499-R577 WeakPolarHBondContact CA-O 3.17Å; T499-R577 VanDerWaalsContact CB-O 3.29Å; T499-R577 WeakPolarHBondContact CB-O 3.25Å; T499-R577 HydrophobicContact CG2-CB 4.44Å
500	G	90.4	Very high	91.8	Very high	7 Å²	7	36.9 Å²	36.9	7%	0.072	21%	0.206	C	C	.	.			trans	-104.4	-177.7	179.6	0	0	0	0	0	113.5	R577 R578	G500-R577 PolarHBondContact N-O 2.67Å; G500-R578 CarbonylContact C-O 3.49Å; G500-R578 WeakPolarHBondContact CA-O 3.41Å; G500-R578 PolarHBondContact N-O 3.48Å; G500-R578 WeakPolarHBondContact O-CB 3.34Å
501	T	92.1	Very high	92.2	Very high	10 Å²	10	34 Å²	34	6%	0.061	19%	0.188	C	C	.	.			trans	-98.5	16.6	-176.8	53.4	0	0	0	0	112.1	E539 H540 R578 T582	T501-E539 HydrophobicContact CG2-CB 4.09Å; T501-E539 HydrophobicContact CG2-CG 4Å; T501-E539 VanDerWaalsContact CG2-O 3.32Å; T501-E539 WeakPolarHBondContact CG2-O 3.2Å; T501-H540 PolarHBondContact O-NE2 3.21Å; T501-R578 PolarHBondContact O-NH2 3.27Å; T501-T582 PolarHBondContact OG1-OG1 3.31Å
502	Q	95.1	Very high	92.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-47.5	128.1	179.3	-173.7	179.4	-70.3	0	0	112.8	I531 R578 F581	Q502-I531 HydrophobicContact CG-CD1 4.28Å; Q502-R578 HydrophobicContact CB-CB 3.65Å; Q502-R578 HydrophobicContact CB-CG 4.32Å; Q502-R578 WeakPolarHBondContact CB-O 3.46Å; Q502-R578 PolarHBondContact N-O 3.46Å; Q502-R578 PolarHBondContact O-NE 3.08Å; Q502-R578 PolarHBondContact O-NH2 3.3Å; Q502-F581 WeakPolarHBondContact CA-O 3.39Å; Q502-F581 WeakPolarHBondContact CB-O 3.33Å; Q502-F581 HydrophobicContact CG-CB 4.12Å; Q502-F581 HydrophobicContact CG-CD2 4.42Å; Q502-F581 PolarHBondContact N-O 3.5Å
503	P	93.6	Very high	92.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-64.4	163.2	176.3	-26.8	37.5	0	0	0	113.9	G505 I531 F547 I583 V595	P503-G505 PolarHBondContact O-N 3.05Å; P503-I531 HydrophobicContact CB-CG2 4.07Å; P503-F547 HydrophobicContact CB-CE1 4.4Å; P503-F547 HydrophobicContact CB-CE2 4.12Å; P503-F547 HydrophobicContact CB-CZ 3.67Å; P503-F547 HydrophobicContact CG-CE1 4.49Å; P503-F547 HydrophobicContact CG-CE2 4.09Å; P503-F547 HydrophobicContact CG-CZ 3.94Å; P503-I583 HydrophobicContact CG-CD1 3.76Å; P503-I583 HydrophobicContact CG-CG1 3.63Å; P503-V595 HydrophobicContact CG-CG2 4.27Å
504	P	92.8	Very high	93	Very high	63 Å²	63	28.3 Å²	28.3	41%	0.409	16%	0.16	S	C	.	.	S	Bend	trans	-59.2	135.2	173	-23.3	34.8	0	0	0	112.2
505	G	94.6	Very high	93.3	Very high	10 Å²	10	29.8 Å²	29.8	10%	0.103	17%	0.173	C	C	.	.			trans	-170.3	-163.3	-178.2	0	0	0	0	0	112.9	T401 P503 D530	T401-G505 PolarHBondContact N-O 2.85Å; T401-G505 VanDerWaalsContact N-O 3.16Å; T401-G505 PolarHBondContact OG1-N 2.73Å; T401-G505 PolarHBondContact OG1-O 2.92Å; P503-G505 PolarHBondContact O-N 3.05Å; G505-D530 CarbonylContact C-O 3.59Å; G505-D530 WeakPolarHBondContact CA-O 3.37Å
506	K	95.3	Very high	93.6	Very high	72 Å²	72	29.8 Å²	29.8	31%	0.313	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.3	177.5	-51.4	141.6	-171.6	164.6	0	110.3	R399 K400 Y529 D530 W575	R399-K506 WeakPolarHBondContact O-CA 3.41Å; K400-K506 HydrophobicContact CG-CG 4.24Å; K506-Y529 WeakPolarHBondContact O-CA 3.22Å; K506-D530 HydrophobicContact CB-CB 4.43Å; K506-D530 HydrophobicContact CD-CB 4.27Å; K506-D530 VanDerWaalsContact CD-OD2 3.32Å; K506-D530 WeakPolarHBondContact CD-OD2 3.33Å; K506-D530 PolarHBondContact N-O 3.13Å; K506-D530 IonicContact NZ-OD2 2.86Å; K506-D530 PolarHBondContact NZ-OD2 3.45Å; K506-D530 PolarHBondContact O-N 3.48Å; K506-W575 VanDerWaalsContact C-CZ2 3.42Å; K506-W575 WeakPolarHBondContact O-CH2 3.46Å
507	M	96.9	Very high	93.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130	165.6	173.3	-169.2	-166.7	0	0	107.3	R398 R399 Y509 I527 V528 Y529 L568 L571 I572 W575	R398-M507 CarbonylContact C-O 3.47Å; R398-M507 VanDerWaalsContact CA-O 3.24Å; R398-M507 WeakPolarHBondContact CA-O 3.34Å; R399-M507 HydrophobicContact CB-CB 4.37Å; R399-M507 PolarHBondContact N-O 2.82Å; R399-M507 PolarHBondContact O-N 2.86Å; M507-Y509 HydrophobicContact CE-CD1 4.31Å; M507-Y509 HydrophobicContact CG-CD1 4.38Å; M507-I527 HydrophobicContact CE-CG2 3.81Å; M507-I527 HydrophobicContact CG-CG2 4.17Å; M507-V528 CarbonylContact C-O 3.51Å; M507-V528 WeakPolarHBondContact CA-O 3.46Å; M507-Y529 HydrophobicContact CB-CD1 3.82Å; M507-Y529 HydrophobicContact CB-CE1 3.9Å; M507-Y529 HydrophobicContact CE-CE1 4.01Å; M507-Y529 HydrophobicContact CG-CD1 3.85Å; M507-Y529 HydrophobicContact CG-CE1 3.51Å; M507-Y529 HydrophobicContact SD-CE1 3.87Å; M507-L568 HydrophobicContact CE-CD1 3.84Å; M507-L571 HydrophobicContact CE-CB 4.31Å; M507-I572 HydrophobicContact CE-CG1 3.79Å; M507-I572 HydrophobicContact SD-CG1 4.07Å; M507-W575 HydrophobicContact CB-CD2 3.63Å; M507-W575 HydrophobicContact CB-CE3 4.07Å; M507-W575 HydrophobicContact CB-CG 3.98Å; M507-W575 HydrophobicContact CB-CH2 4.49Å; M507-W575 HydrophobicContact CB-CZ2 4.1Å; M507-W575 HydrophobicContact CB-CZ3 4.47Å; M507-W575 HydrophobicContact CG-CD2 4.44Å; M507-W575 HydrophobicContact CG-CG 4.48Å; M507-W575 HydrophobicContact SD-CB 3.71Å; M507-W575 HydrophobicContact SD-CD2 4.22Å; M507-W575 HydrophobicContact SD-CG 3.71Å
508	E	95.4	Very high	94	Very high	58 Å²	58	28.2 Å²	28.2	27%	0.271	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.5	174.1	-74	167.1	-141	0	0	109.7	M397 R398 I527 V528	M397-E508 CarbonylContact O-C 3.39Å; M397-E508 VanDerWaalsContact O-CA 3.3Å; M397-E508 WeakPolarHBondContact O-CA 3.47Å; R398-E508 HydrophobicContact CB-CG 4.02Å; R398-E508 HydrophobicContact CG-CG 3.6Å; R398-E508 IonicContact CZ-OE1 3.07Å; R398-E508 IonicContact NE-OE1 2.8Å; R398-E508 PolarHBondContact NE-OE1 2.87Å; R398-E508 IonicContact NH2-OE1 2.97Å; R398-E508 PolarHBondContact NH2-OE1 3.06Å; E508-I527 CarbonylContact O-C 3.05Å; E508-I527 WeakPolarHBondContact O-CA 3.42Å; E508-V528 HydrophobicContact CB-CB 4.32Å; E508-V528 PolarHBondContact N-O 3.11Å; E508-V528 PolarHBondContact O-N 3.39Å
509	Y	96.1	Very high	94.2	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	141.9	177.5	52.4	-94.2	0	0	0	112.2	V391 I394 N395 G396 M397 R399 M507 R526 L568 I572	V391-Y509 HydrophobicContact CG2-CD2 3.94Å; I394-Y509 HydrophobicContact CG2-CE2 3.65Å; N395-Y509 PolarHBondContact O-OH 2.73Å; G396-Y509 WeakPolarHBondContact O-CE2 3.17Å; G396-Y509 PolarHBondContact O-OH 3.21Å; M397-Y509 PolarHBondContact O-N 2.75Å; R399-Y509 HydrophobicContact CG-CE1 4.43Å; M507-Y509 HydrophobicContact CE-CD1 4.31Å; M507-Y509 HydrophobicContact CG-CD1 4.38Å; Y509-R526 VanDerWaalsContact CA-O 3.32Å; Y509-R526 WeakPolarHBondContact CA-O 3.44Å; Y509-L568 HydrophobicContact CD1-CD1 4.34Å; Y509-L568 HydrophobicContact CD2-CD2 3.82Å; Y509-L568 HydrophobicContact CE2-CD2 4.46Å; Y509-L568 HydrophobicContact CG-CD1 4.19Å; Y509-L568 HydrophobicContact CG-CD2 4.01Å; Y509-I572 HydrophobicContact CD1-CD1 4.16Å; Y509-I572 HydrophobicContact CD1-CG1 4.29Å; Y509-I572 HydrophobicContact CE1-CD1 3.51Å; Y509-I572 HydrophobicContact CE1-CG1 3.78Å; Y509-I572 HydrophobicContact CE2-CD1 4.1Å; Y509-I572 VanDerWaalsContact CZ-CD1 3.48Å
510	H	95.4	Very high	94.2	Very high	23 Å²	23	30.9 Å²	30.9	11%	0.106	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	159.5	179.8	53.6	-90.4	0	0	0	110.4	M388 K389 I512 R526	M388-H510 HydrophobicContact CB-CB 4.5Å; M388-H510 PolarHBondContact SD-NE2 3.27Å; K389-H510 CarbonylContact O-C 3.55Å; K389-H510 WeakPolarHBondContact O-CA 3.15Å; K389-H510 WeakPolarHBondContact O-CB 3.15Å; H510-I512 WeakPolarHBondContact NE2-CG2 3.46Å; H510-R526 PolarHBondContact CE1-NE 3.46Å; H510-R526 VanDerWaalsContact CE1-NE 3.31Å; H510-R526 PolarHBondContact CE1-NH2 2.71Å; H510-R526 PolarHBondContact N-O 2.96Å; H510-R526 PolarHBondContact NE2-NE 2.78Å; H510-R526 PolarHBondContact NE2-NH2 3.18Å; H510-R526 PolarHBondContact O-N 3.35Å
511	V	96	Very high	94.3	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	139.4	175.8	-176.3	0	0	0	0	109.9	M388 K389 V391 K523 T524 D560	M388-V511 WeakPolarHBondContact CA-O 3.41Å; K389-V511 HydrophobicContact CB-CB 4.4Å; K389-V511 PolarHBondContact N-O 3.03Å; K389-V511 PolarHBondContact O-N 3.17Å; V391-V511 HydrophobicContact CB-CG2 4.34Å; V391-V511 HydrophobicContact CG2-CG2 3.97Å; V511-K523 HydrophobicContact CG1-CB 3.62Å; V511-K523 HydrophobicContact CG1-CD 4.03Å; V511-K523 HydrophobicContact CG1-CG 4.45Å; V511-T524 CarbonylContact C-O 3.56Å; V511-T524 WeakPolarHBondContact CA-O 3.33Å; V511-D560 HydrophobicContact CG1-CB 4.44Å; V511-D560 WeakPolarHBondContact CG2-OD2 3.26Å
512	I	95.3	Very high	94.4	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.2	175.7	63.4	167.5	0	0	0	110.6	P380 I383 H510 H514 K523 T524 R526 F606	P380-I512 HydrophobicContact CB-CD1 3.83Å; P380-I512 HydrophobicContact CG-CD1 3.78Å; I383-I512 HydrophobicContact CD1-CB 3.72Å; I383-I512 HydrophobicContact CD1-CD1 3.85Å; I383-I512 HydrophobicContact CD1-CG1 4.38Å; I383-I512 HydrophobicContact CD1-CG2 3.55Å; H510-I512 WeakPolarHBondContact NE2-CG2 3.46Å; I512-H514 PolarHBondContact O-N 3.35Å; I512-K523 WeakPolarHBondContact O-CB 3.43Å; I512-T524 HydrophobicContact CD1-CG2 4.23Å; I512-T524 HydrophobicContact CG1-CG2 4.24Å; I512-T524 WeakPolarHBondContact CG1-O 3.42Å; I512-T524 PolarHBondContact N-O 3.01Å; I512-T524 PolarHBondContact O-N 2.91Å; I512-R526 HydrophobicContact CD1-CB 4.37Å; I512-R526 HydrophobicContact CG2-CB 3.98Å; I512-F606 HydrophobicContact CD1-CE2 4.01Å
513	P	94.1	Very high	94.4	Very high	58 Å²	58	42.5 Å²	42.5	38%	0.377	25%	0.247	S	C	.	.	S	Bend	trans	-80.6	35.3	-169.2	36.8	-40.6	0	0	0	114	I383 D387	I383-P513 HydrophobicContact CG2-CG 4.36Å; D387-P513 HydrophobicContact CB-CG 4.05Å
514	H	93.6	Very high	94.6	Very high	49 Å²	49	42.5 Å²	42.5	23%	0.227	25%	0.247	C	C	.	.			trans	-130.8	148.5	-179.8	-55.4	-53	0	0	0	110.1	I512 K523 T524 F606	I512-H514 PolarHBondContact O-N 3.35Å; H514-K523 CarbonylContact O-C 3.58Å; H514-T524 WeakPolarHBondContact O-CB 3.18Å; H514-T524 PolarHBondContact O-N 2.56Å; H514-T524 PolarHBondContact O-OG1 3.04Å; H514-F606 HydrophobicContact CB-CE1 4.42Å; H514-F606 HydrophobicContact CB-CE2 4.47Å; H514-F606 HydrophobicContact CB-CZ 3.67Å
515	S	95.3	Very high	94.8	Very high	53 Å²	53	39.5 Å²	39.5	37%	0.371	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-95.2	147.9	177.5	-58.7	0	0	0	0	110.9	Y519 C522 F606	S515-Y519 WeakPolarHBondContact CB-O 3.48Å; S515-C522 WeakPolarHBondContact CB-O 3.3Å; S515-C522 PolarHBondContact OG-O 3.31Å; S515-F606 WeakPolarHBondContact O-CZ 3.32Å
516	L	95.4	Very high	94.9	Very high	5 Å²	5	40.8 Å²	40.8	3%	0.026	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-80.8	151.3	172.2	-72.8	168.2	0	0	0	110.7	G518 Y519 T524 P559 F606 Y615	L516-G518 PolarHBondContact O-N 2.88Å; L516-Y519 HydrophobicContact CB-CD2 4.21Å; L516-Y519 PolarHBondContact O-N 2.95Å; L516-T524 HydrophobicContact CD1-CG2 3.97Å; L516-T524 HydrophobicContact CD2-CG2 4.11Å; L516-T524 HydrophobicContact CG-CG2 3.88Å; L516-P559 HydrophobicContact CD1-CB 4.48Å; L516-F606 HydrophobicContact CD2-CD2 3.6Å; L516-F606 HydrophobicContact CD2-CE2 3.63Å; L516-F606 HydrophobicContact CD2-CG 4.29Å; L516-F606 HydrophobicContact CD2-CZ 4.33Å; L516-F606 WeakPolarHBondContact CD2-O 3.5Å; L516-F606 HydrophobicContact CG-CE2 4.38Å; L516-Y615 HydrophobicContact CB-CG 4.35Å; L516-Y615 HydrophobicContact CD1-CD1 4.44Å; L516-Y615 HydrophobicContact CD1-CD2 3.89Å; L516-Y615 HydrophobicContact CD1-CE1 4.15Å; L516-Y615 HydrophobicContact CD1-CE2 3.51Å; L516-Y615 HydrophobicContact CD1-CG 4.32Å; L516-Y615 HydrophobicContact CD2-CD2 3.69Å; L516-Y615 HydrophobicContact CD2-CE2 4.04Å; L516-Y615 HydrophobicContact CD2-CG 4.27Å; L516-Y615 HydrophobicContact CG-CD2 4.24Å; L516-Y615 HydrophobicContact CG-CE2 4.33Å
517	P	93.3	Very high	95.1	Very high	37 Å²	37	37.4 Å²	37.4	24%	0.24	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	125.8	167.3	-23.7	32.3	0	0	0	111.1	F606 P616	P517-F606 VanDerWaalsContact CD-O 3.23Å; P517-F606 WeakPolarHBondContact CD-O 3.45Å; P517-P616 HydrophobicContact CB-CB 4.36Å; P517-P616 WeakPolarHBondContact O-CA 3.48Å
518	G	93.1	Very high	95.1	Very high	63 Å²	63	38.1 Å²	38.1	65%	0.649	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.4	1.1	-175.7	0	0	0	0	0	115.6	L516	L516-G518 PolarHBondContact O-N 2.88Å
519	Y	93.6	Very high	95.2	Very high	33 Å²	33	35.3 Å²	35.3	13%	0.129	21%	0.206	C	C	.	.			trans	-137.2	59.2	178.7	-66.5	-75.8	0	0	0	111.7	S515 L516 E521 P559 Y615	S515-Y519 WeakPolarHBondContact CB-O 3.48Å; L516-Y519 HydrophobicContact CB-CD2 4.21Å; L516-Y519 PolarHBondContact O-N 2.95Å; Y519-E521 VanDerWaalsContact CA-OE1 3.24Å; Y519-E521 WeakPolarHBondContact CA-OE1 3.46Å; Y519-E521 PolarHBondContact O-N 2.91Å; Y519-P559 HydrophobicContact CD1-CB 3.84Å; Y519-P559 HydrophobicContact CD1-CG 4.07Å; Y519-P559 HydrophobicContact CD2-CB 3.96Å; Y519-P559 HydrophobicContact CD2-CG 4.07Å; Y519-P559 HydrophobicContact CE1-CB 4.26Å; Y519-P559 HydrophobicContact CE1-CG 3.96Å; Y519-P559 HydrophobicContact CE2-CB 4.36Å; Y519-P559 HydrophobicContact CE2-CG 3.95Å; Y519-P559 HydrophobicContact CG-CB 3.67Å; Y519-P559 HydrophobicContact CG-CG 4.11Å; Y519-Y615 HydrophobicContact CD2-CD1 4.39Å; Y519-Y615 HydrophobicContact CD2-CE1 4.36Å; Y519-Y615 HydrophobicContact CE2-CD1 4.09Å; Y519-Y615 AromaticContact CE2-CE1 3.82Å; Y519-Y615 HydrophobicContact CE2-CE1 3.82Å
520	S	91.6	Very high	95.2	Very high	97 Å²	97	37.5 Å²	37.5	68%	0.678	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.7	-174.2	25.8	0	0	0	0	115.1
521	E	92.3	Very high	95.3	Very high	143 Å²	143	36.5 Å²	36.5	67%	0.668	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-0.5	-167	49.3	-63.1	124	0	0	112.7	Y519	Y519-E521 VanDerWaalsContact CA-OE1 3.24Å; Y519-E521 WeakPolarHBondContact CA-OE1 3.46Å; Y519-E521 PolarHBondContact O-N 2.91Å
522	C	93.6	Very high	95.3	Very high	20 Å²	20	39.8 Å²	39.8	14%	0.135	24%	0.235	C	C	.	.	S	Bend	trans	-135.6	167.8	174.1	69.5	0	0	0	0	112.7	S515	S515-C522 WeakPolarHBondContact CB-O 3.3Å; S515-C522 PolarHBondContact OG-O 3.31Å
523	K	95.8	Very high	95.2	Very high	99 Å²	99	43 Å²	43	43%	0.43	26%	0.261	S	S	.	.			trans	-83.7	-174.9	174.7	-71.5	177.4	-176	173.4	0	110.2	V511 I512 H514 D560	V511-K523 HydrophobicContact CG1-CB 3.62Å; V511-K523 HydrophobicContact CG1-CD 4.03Å; V511-K523 HydrophobicContact CG1-CG 4.45Å; I512-K523 WeakPolarHBondContact O-CB 3.43Å; H514-K523 CarbonylContact O-C 3.58Å; K523-D560 HydrophobicContact CB-CB 4.16Å; K523-D560 WeakPolarHBondContact O-CB 3.45Å; K523-D560 PolarHBondContact O-N 2.51Å
524	T	97.3	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	133	177.6	-53.3	0	0	0	0	110.5	V511 I512 H514 L516 Y557 L558 F606	V511-T524 CarbonylContact C-O 3.56Å; V511-T524 WeakPolarHBondContact CA-O 3.33Å; I512-T524 HydrophobicContact CD1-CG2 4.23Å; I512-T524 HydrophobicContact CG1-CG2 4.24Å; I512-T524 WeakPolarHBondContact CG1-O 3.42Å; I512-T524 PolarHBondContact N-O 3.01Å; I512-T524 PolarHBondContact O-N 2.91Å; H514-T524 WeakPolarHBondContact O-CB 3.18Å; H514-T524 PolarHBondContact O-N 2.56Å; H514-T524 PolarHBondContact O-OG1 3.04Å; L516-T524 HydrophobicContact CD1-CG2 3.97Å; L516-T524 HydrophobicContact CD2-CG2 4.11Å; L516-T524 HydrophobicContact CG-CG2 3.88Å; T524-Y557 HydrophobicContact CG2-CD1 4.18Å; T524-Y557 HydrophobicContact CG2-CG 4.43Å; T524-L558 CarbonylContact C-O 3.41Å; T524-L558 WeakPolarHBondContact CA-O 3.26Å; T524-L558 WeakPolarHBondContact CG2-O 3.27Å; T524-F606 HydrophobicContact CG2-CD2 4.48Å; T524-F606 HydrophobicContact CG2-CE2 3.98Å
525	I	97.8	Very high	95.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	117.7	162.2	-59.4	172	0	0	0	107.1	V391 I527 Y557 L558 D560 R565 L568	V391-I525 HydrophobicContact CG1-CD1 3.94Å; V391-I525 HydrophobicContact CG1-CG1 4.24Å; V391-I525 HydrophobicContact CG2-CG1 4.41Å; V391-I525 HydrophobicContact CG2-CG2 4.06Å; I525-I527 HydrophobicContact CG2-CG1 4.3Å; I525-Y557 WeakPolarHBondContact O-CA 3.33Å; I525-L558 HydrophobicContact CB-CB 4.23Å; I525-L558 PolarHBondContact N-O 3.22Å; I525-L558 PolarHBondContact O-N 3.49Å; I525-D560 HydrophobicContact CD1-CB 4.48Å; I525-D560 HydrophobicContact CG1-CB 3.9Å; I525-R565 HydrophobicContact CD1-CG 3.84Å; I525-L568 HydrophobicContact CD1-CD2 4.42Å; I525-L568 HydrophobicContact CG2-CD2 3.68Å
526	R	96.9	Very high	95.1	Very high	38 Å²	38	42.1 Å²	42.1	14%	0.143	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	120.9	171.5	-174.2	174.4	74	174.2	0.7	109.2	Y509 H510 I512 V528 C556 Y557	Y509-R526 VanDerWaalsContact CA-O 3.32Å; Y509-R526 WeakPolarHBondContact CA-O 3.44Å; H510-R526 PolarHBondContact CE1-NE 3.46Å; H510-R526 VanDerWaalsContact CE1-NE 3.31Å; H510-R526 PolarHBondContact CE1-NH2 2.71Å; H510-R526 PolarHBondContact N-O 2.96Å; H510-R526 PolarHBondContact NE2-NE 2.78Å; H510-R526 PolarHBondContact NE2-NH2 3.18Å; H510-R526 PolarHBondContact O-N 3.35Å; I512-R526 HydrophobicContact CD1-CB 4.37Å; I512-R526 HydrophobicContact CG2-CB 3.98Å; R526-V528 HydrophobicContact CG-CG2 4.18Å; R526-C556 WeakPolarHBondContact CA-O 3.38Å; R526-Y557 HydrophobicContact CB-CD1 4.4Å; R526-Y557 HydrophobicContact CG-CD1 4.1Å; R526-Y557 HydrophobicContact CG-CE1 3.91Å
527	I	97.9	Very high	94.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	139.8	170.8	-51.7	171.2	0	0	0	108.1	M507 E508 I525 Y529 H555 C556 L558 L568 L571	M507-I527 HydrophobicContact CE-CG2 3.81Å; M507-I527 HydrophobicContact CG-CG2 4.17Å; E508-I527 CarbonylContact O-C 3.05Å; E508-I527 WeakPolarHBondContact O-CA 3.42Å; I525-I527 HydrophobicContact CG2-CG1 4.3Å; I527-Y529 HydrophobicContact CG2-CD2 4.27Å; I527-Y529 HydrophobicContact CG2-CE1 4.05Å; I527-Y529 HydrophobicContact CG2-CE2 3.78Å; I527-H555 WeakPolarHBondContact O-CA 3.44Å; I527-C556 HydrophobicContact CB-CB 4.26Å; I527-C556 PolarHBondContact N-O 2.6Å; I527-C556 PolarHBondContact O-N 3.3Å; I527-L558 HydrophobicContact CD1-CD1 3.9Å; I527-L558 HydrophobicContact CD1-CG 4.23Å; I527-L568 HydrophobicContact CD1-CD1 3.75Å; I527-L568 HydrophobicContact CG1-CD1 3.98Å; I527-L571 HydrophobicContact CD1-CD1 3.76Å
528	V	96.9	Very high	94.4	Very high	14 Å²	14	49.2 Å²	49.2	9%	0.085	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	113.7	178.5	-170.1	0	0	0	0	108.8	M507 E508 R526 P553 R554 H555	M507-V528 CarbonylContact C-O 3.51Å; M507-V528 WeakPolarHBondContact CA-O 3.46Å; E508-V528 HydrophobicContact CB-CB 4.32Å; E508-V528 PolarHBondContact N-O 3.11Å; E508-V528 PolarHBondContact O-N 3.39Å; R526-V528 HydrophobicContact CG-CG2 4.18Å; V528-P553 HydrophobicContact CG1-CB 3.78Å; V528-R554 WeakPolarHBondContact CA-O 3.34Å; V528-H555 WeakPolarHBondContact CG2-ND1 3.4Å
529	Y	98.1	Very high	94	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	137.9	172.3	-59.7	-71	0	0	0	110	K506 M507 I527 F552 P553 R554 W575 I580 F581 W597 H602	K506-Y529 WeakPolarHBondContact O-CA 3.22Å; M507-Y529 HydrophobicContact CB-CD1 3.82Å; M507-Y529 HydrophobicContact CB-CE1 3.9Å; M507-Y529 HydrophobicContact CE-CE1 4.01Å; M507-Y529 HydrophobicContact CG-CD1 3.85Å; M507-Y529 HydrophobicContact CG-CE1 3.51Å; M507-Y529 HydrophobicContact SD-CE1 3.87Å; I527-Y529 HydrophobicContact CG2-CD2 4.27Å; I527-Y529 HydrophobicContact CG2-CE1 4.05Å; I527-Y529 HydrophobicContact CG2-CE2 3.78Å; Y529-F552 WeakPolarHBondContact O-CD1 3.41Å; Y529-P553 CarbonylContact O-C 3.57Å; Y529-P553 WeakPolarHBondContact O-CA 3.33Å; Y529-R554 PolarHBondContact N-O 3.23Å; Y529-R554 PolarHBondContact O-N 3.09Å; Y529-W575 HydrophobicContact CD1-CD2 4.42Å; Y529-W575 AromaticContact CD1-CE3 3.52Å; Y529-W575 HydrophobicContact CD1-CE3 3.52Å; Y529-W575 HydrophobicContact CD1-CH2 4.35Å; Y529-W575 AromaticContact CD1-CZ3 3.47Å; Y529-W575 HydrophobicContact CD1-CZ3 3.47Å; Y529-W575 VanDerWaalsContact CD1-CZ3 3.47Å; Y529-W575 HydrophobicContact CE1-CD2 4.28Å; Y529-W575 AromaticContact CE1-CE3 3.52Å; Y529-W575 HydrophobicContact CE1-CE3 3.52Å; Y529-W575 AromaticContact CE1-CZ3 3.99Å; Y529-W575 HydrophobicContact CE1-CZ3 3.99Å; Y529-W575 HydrophobicContact CG-CZ3 4.39Å; Y529-I580 HydrophobicContact CE1-CG2 4.3Å; Y529-I580 HydrophobicContact CE2-CG2 4.17Å; Y529-F581 AromaticContact CD1-CE2 3.89Å; Y529-F581 HydrophobicContact CD1-CE2 3.89Å; Y529-F581 HydrophobicContact CD1-CZ 4.49Å; Y529-F581 AromaticContact CD2-CE2 3.92Å; Y529-F581 HydrophobicContact CD2-CE2 3.92Å; Y529-F581 AromaticContact CD2-CZ 3.73Å; Y529-F581 HydrophobicContact CD2-CZ 3.73Å; Y529-F581 HydrophobicContact CE1-CE2 4.42Å; Y529-F581 HydrophobicContact CE2-CE2 4.43Å; Y529-F581 HydrophobicContact CE2-CZ 4.39Å; Y529-F581 AromaticContact CG-CE2 3.61Å; Y529-F581 HydrophobicContact CG-CE2 3.61Å; Y529-F581 AromaticContact CG-CZ 3.77Å; Y529-F581 HydrophobicContact CG-CZ 3.77Å; Y529-W597 HydrophobicContact CD2-CH2 4.05Å; Y529-W597 HydrophobicContact CD2-CZ3 4.23Å; Y529-W597 HydrophobicContact CE2-CH2 4.2Å; Y529-W597 HydrophobicContact CE2-CZ3 4.1Å; Y529-H602 AromaticContact CE2-CD2 3.65Å; Y529-H602 AromaticContact CE2-NE2 3.47Å; Y529-H602 WeakPolarHBondContact CE2-NE2 3.21Å; Y529-H602 AromaticContact CZ-NE2 3.59Å; Y529-H602 PolarHBondContact OH-NE2 2.82Å
530	D	96.8	Very high	93.8	Very high	46 Å²	46	47.5 Å²	47.5	25%	0.246	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	103.8	176.8	175.2	33.7	0	0	0	109.1	G505 K506	G505-D530 CarbonylContact C-O 3.59Å; G505-D530 WeakPolarHBondContact CA-O 3.37Å; K506-D530 HydrophobicContact CB-CB 4.43Å; K506-D530 HydrophobicContact CD-CB 4.27Å; K506-D530 VanDerWaalsContact CD-OD2 3.32Å; K506-D530 WeakPolarHBondContact CD-OD2 3.33Å; K506-D530 PolarHBondContact N-O 3.13Å; K506-D530 IonicContact NZ-OD2 2.86Å; K506-D530 PolarHBondContact NZ-OD2 3.45Å; K506-D530 PolarHBondContact O-N 3.48Å
531	I	96.6	Very high	93.7	Very high	2 Å²	2	47 Å²	47	1%	0.01	26%	0.264	C	S	.	.			trans	-118.8	116.2	177.8	-60.8	179.7	0	0	0	107.9	Q502 P503 A549 F552 W575 F581 V595	Q502-I531 HydrophobicContact CG-CD1 4.28Å; P503-I531 HydrophobicContact CB-CG2 4.07Å; I531-A549 VanDerWaalsContact O-CB 3.24Å; I531-A549 WeakPolarHBondContact O-CB 3.43Å; I531-F552 HydrophobicContact CB-CD1 4.15Å; I531-F552 HydrophobicContact CB-CE1 3.87Å; I531-F552 HydrophobicContact CB-CE2 4.3Å; I531-F552 HydrophobicContact CB-CG 4.49Å; I531-F552 HydrophobicContact CB-CZ 3.95Å; I531-F552 HydrophobicContact CD1-CE1 4.11Å; I531-F552 HydrophobicContact CD1-CZ 4.08Å; I531-F552 HydrophobicContact CG1-CD1 4.46Å; I531-F552 HydrophobicContact CG1-CE1 3.89Å; I531-F552 HydrophobicContact CG1-CZ 4.19Å; I531-W575 HydrophobicContact CD1-CH2 4.24Å; I531-W575 HydrophobicContact CD1-CZ3 4.17Å; I531-W575 HydrophobicContact CG1-CH2 4.12Å; I531-W575 HydrophobicContact CG1-CZ3 4.46Å; I531-F581 HydrophobicContact CD1-CB 4.07Å; I531-F581 HydrophobicContact CD1-CD2 3.39Å; I531-F581 HydrophobicContact CD1-CE2 3.9Å; I531-F581 HydrophobicContact CD1-CG 3.76Å; I531-V595 HydrophobicContact CD1-CG1 4.04Å; I531-V595 HydrophobicContact CG2-CG1 4.32Å; I531-V595 HydrophobicContact CG2-CG2 4.05Å
532	P	95.4	Very high	93.6	Very high	77 Å²	77	43.5 Å²	43.5	50%	0.5	25%	0.25	S	S	.	.			trans	-75.6	157.5	174.8	32.3	-35.1	0	0	0	111.7	F547	P532-F547 WeakPolarHBondContact O-CE2 3.33Å
533	A	94.4	Very high	93.5	Very high	67 Å²	67	46 Å²	46	55%	0.554	27%	0.266	S	S	*	.			trans	-61.3	154.6	165.4	0	0	0	0	0	111.1	F547 A549	A533-F547 WeakPolarHBondContact CB-O 3.23Å; A533-A549 HydrophobicContact CB-CB 4.49Å
534	G	94.1	Very high	93.3	Very high	28 Å²	28	44 Å²	44	29%	0.289	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	-156.7	-173.3	0	0	0	0	0	114.6	K546 F547	G534-K546 CarbonylContact O-C 3.58Å; G534-K546 VanDerWaalsContact O-CA 3.29Å; G534-K546 WeakPolarHBondContact O-CA 3.43Å; G534-F547 VanDerWaalsContact C-CD1 3.41Å; G534-F547 VanDerWaalsContact CA-CE1 3.47Å; G534-F547 PolarHBondContact N-O 3.06Å; G534-F547 WeakPolarHBondContact O-CD1 3.49Å; G534-F547 PolarHBondContact O-N 2.81Å
535	I	93.9	Very high	93.2	Very high	110 Å²	110	48.9 Å²	48.9	56%	0.564	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	136.2	177.3	-62.4	174.9	0	0	0	108.8	T537 G544 K546	I535-T537 PolarHBondContact O-N 3.42Å; I535-G544 WeakPolarHBondContact CG2-O 3.33Å; I535-K546 HydrophobicContact CG1-CG 4.35Å
536	Q	92.7	Very high	93.1	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.019	33%	0.329	C	S	.	.			trans	-68.3	123.1	179.2	-70	-171.9	55.9	0	0	111.1	H540 N542 G544 K545 F547 I583 D593	Q536-H540 HydrophobicContact CB-CB 3.92Å; Q536-H540 HydrophobicContact CG-CB 4.04Å; Q536-N542 WeakPolarHBondContact CB-O 3.38Å; Q536-N542 PolarHBondContact OE1-O 2.82Å; Q536-G544 PolarHBondContact O-N 2.98Å; Q536-K545 WeakPolarHBondContact CB-O 3.39Å; Q536-K545 WeakPolarHBondContact CG-O 3.27Å; Q536-K545 PolarHBondContact N-O 3.45Å; Q536-F547 HydrophobicContact CG-CB 4.08Å; Q536-F547 HydrophobicContact CG-CD1 3.99Å; Q536-I583 HydrophobicContact CG-CD1 3.89Å; Q536-I583 HydrophobicContact CG-CG2 4.48Å; Q536-D593 PolarHBondContact NE2-OD1 3.31Å
537	T	87.8	Confident	93.1	Very high	40 Å²	40	55.6 Å²	55.6	25%	0.245	33%	0.325	C	S	.	.			trans	-73.5	170.3	165.2	43.3	0	0	0	0	112.3	I535 E539 H540	I535-T537 PolarHBondContact O-N 3.42Å; T537-E539 PolarHBondContact O-N 3.24Å; T537-E539 WeakPolarHBondContact OG1-CG 3.45Å; T537-E539 PolarHBondContact OG1-OE1 3.21Å; T537-H540 PolarHBondContact N-ND1 3.1Å; T537-H540 PolarHBondContact O-N 2.9Å; T537-H540 PolarHBondContact O-ND1 3.21Å; T537-H540 PolarHBondContact OG1-CE1 3.3Å; T537-H540 PolarHBondContact OG1-ND1 3.47Å
538	N	86.4	Confident	93	Very high	152 Å²	152	56.5 Å²	56.5	81%	0.813	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-1.5	-178.3	-59.2	5.8	0	0	0	115.8
539	E	83.8	Confident	92.9	Very high	47 Å²	47	57 Å²	57	22%	0.22	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-7.2	178	72.1	-153	145.9	0	0	112.9	L406 T501 T537 R578	L406-E539 VanDerWaalsContact CD1-OE2 3.32Å; L406-E539 WeakPolarHBondContact CD1-OE2 3.24Å; T501-E539 HydrophobicContact CG2-CB 4.09Å; T501-E539 HydrophobicContact CG2-CG 4Å; T501-E539 VanDerWaalsContact CG2-O 3.32Å; T501-E539 WeakPolarHBondContact CG2-O 3.2Å; T537-E539 PolarHBondContact O-N 3.24Å; T537-E539 WeakPolarHBondContact OG1-CG 3.45Å; T537-E539 PolarHBondContact OG1-OE1 3.21Å; E539-R578 IonicContact OE1-CZ 2.72Å; E539-R578 IonicContact OE1-NH1 2.86Å; E539-R578 IonicContact OE1-NH2 2.75Å; E539-R578 PolarHBondContact OE1-NH2 3.29Å; E539-R578 IonicContact OE2-CZ 3.63Å; E539-R578 IonicContact OE2-NH1 2.74Å; E539-R578 PolarHBondContact OE2-NH1 3.16Å; E539-R578 IonicContact OE2-NH2 2.82Å; E539-R578 PolarHBondContact OE2-NH2 3.23Å
540	H	89.6	Confident	92.6	Very high	13 Å²	13	64 Å²	64	6%	0.06	36%	0.363	C	S	.	.	S	Bend	trans	-100.2	166.2	179.8	-58.2	119.3	0	0	0	111.6	T501 Q536 T537 N542 P543 I583	T501-H540 PolarHBondContact O-NE2 3.21Å; Q536-H540 HydrophobicContact CB-CB 3.92Å; Q536-H540 HydrophobicContact CG-CB 4.04Å; T537-H540 PolarHBondContact N-ND1 3.1Å; T537-H540 PolarHBondContact O-N 2.9Å; T537-H540 PolarHBondContact O-ND1 3.21Å; T537-H540 PolarHBondContact OG1-CE1 3.3Å; T537-H540 PolarHBondContact OG1-ND1 3.47Å; H540-N542 VanDerWaalsContact C-N 3.34Å; H540-N542 PolarHBondContact O-N 3.4Å; H540-P543 WeakPolarHBondContact O-CD 3.49Å; H540-I583 HydrophobicContact CB-CD1 4.41Å; H540-I583 VanDerWaalsContact CD2-CD1 3.47Å; H540-I583 WeakPolarHBondContact CD2-CD1 3.35Å; H540-I583 WeakPolarHBondContact NE2-CD1 3.32Å
541	P	88.8	Confident	92.2	Very high	85 Å²	85	64.8 Å²	64.8	55%	0.552	38%	0.382	S	S	*	.	S	Bend	trans	-57.8	-37.3	-174.4	-27.8	36.7	0	0	0	115.5
542	N	91	Very high	92.1	Very high	71 Å²	71	66.4 Å²	66.4	38%	0.38	39%	0.39	S	S	.	.	S	Bend	trans	-128.1	77.1	-176.9	-66.7	-60.8	0	0	0	111.2	Q536 H540 G544 K545 D593	Q536-N542 WeakPolarHBondContact CB-O 3.38Å; Q536-N542 PolarHBondContact OE1-O 2.82Å; H540-N542 VanDerWaalsContact C-N 3.34Å; H540-N542 PolarHBondContact O-N 3.4Å; N542-G544 PolarHBondContact O-N 3.26Å; N542-K545 HydrophobicContact CB-CB 3.85Å; N542-K545 HydrophobicContact CB-CD 3.78Å; N542-K545 HydrophobicContact CB-CG 4.49Å; N542-K545 WeakPolarHBondContact O-CB 3.31Å; N542-K545 PolarHBondContact O-N 3.27Å; N542-K545 VanDerWaalsContact O-N 3.08Å; N542-D593 PolarHBondContact ND2-OD1 3.11Å
543	P	92	Very high	92.1	Very high	71 Å²	71	66 Å²	66	46%	0.461	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	138.5	-178.4	-27.1	36.8	0	0	0	113.1	H540 K545	H540-P543 WeakPolarHBondContact O-CD 3.49Å; P543-K545 PolarHBondContact O-N 3.38Å
544	G	91.4	Very high	92.2	Very high	58 Å²	58	64.5 Å²	64.5	60%	0.598	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	-17.9	-176	0	0	0	0	0	115.2	I535 Q536 N542	I535-G544 WeakPolarHBondContact CG2-O 3.33Å; Q536-G544 PolarHBondContact O-N 2.98Å; N542-G544 PolarHBondContact O-N 3.26Å
545	K	95	Very high	92.3	Very high	102 Å²	102	65.4 Å²	65.4	44%	0.443	36%	0.363	S	S	.	.	S	Bend	trans	-72.6	151.6	175	-161.1	179.6	179.5	-173.7	0	110.8	Q536 N542 P543 D593	Q536-K545 WeakPolarHBondContact CB-O 3.39Å; Q536-K545 WeakPolarHBondContact CG-O 3.27Å; Q536-K545 PolarHBondContact N-O 3.45Å; N542-K545 HydrophobicContact CB-CB 3.85Å; N542-K545 HydrophobicContact CB-CD 3.78Å; N542-K545 HydrophobicContact CB-CG 4.49Å; N542-K545 WeakPolarHBondContact O-CB 3.31Å; N542-K545 PolarHBondContact O-N 3.27Å; N542-K545 VanDerWaalsContact O-N 3.08Å; P543-K545 PolarHBondContact O-N 3.38Å; K545-D593 WeakPolarHBondContact CE-OD2 3.45Å; K545-D593 IonicContact NZ-OD1 2.85Å; K545-D593 IonicContact NZ-OD2 2.74Å; K545-D593 PolarHBondContact NZ-OD2 3.06Å
546	K	95.4	Very high	92.5	Very high	166 Å²	166	60.2 Å²	60.2	72%	0.722	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	151.9	169.1	-69.4	178.7	-179.1	175.1	0	110.4	G534 I535	G534-K546 CarbonylContact O-C 3.58Å; G534-K546 VanDerWaalsContact O-CA 3.29Å; G534-K546 WeakPolarHBondContact O-CA 3.43Å; I535-K546 HydrophobicContact CG1-CG 4.35Å
547	F	97.1	Very high	92.7	Very high	13 Å²	13	60 Å²	60	6%	0.057	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.7	168.4	69.7	-98.1	0	0	0	111.1	P503 P532 A533 G534 Q536 I583 D593 V595	P503-F547 HydrophobicContact CB-CE1 4.4Å; P503-F547 HydrophobicContact CB-CE2 4.12Å; P503-F547 HydrophobicContact CB-CZ 3.67Å; P503-F547 HydrophobicContact CG-CE1 4.49Å; P503-F547 HydrophobicContact CG-CE2 4.09Å; P503-F547 HydrophobicContact CG-CZ 3.94Å; P532-F547 WeakPolarHBondContact O-CE2 3.33Å; A533-F547 WeakPolarHBondContact CB-O 3.23Å; G534-F547 VanDerWaalsContact C-CD1 3.41Å; G534-F547 VanDerWaalsContact CA-CE1 3.47Å; G534-F547 PolarHBondContact N-O 3.06Å; G534-F547 WeakPolarHBondContact O-CD1 3.49Å; G534-F547 PolarHBondContact O-N 2.81Å; Q536-F547 HydrophobicContact CG-CB 4.08Å; Q536-F547 HydrophobicContact CG-CD1 3.99Å; F547-I583 HydrophobicContact CB-CD1 3.78Å; F547-I583 HydrophobicContact CB-CG2 4.23Å; F547-I583 HydrophobicContact CD1-CD1 3.33Å; F547-I583 HydrophobicContact CD2-CD1 3.93Å; F547-I583 HydrophobicContact CD2-CG1 4.5Å; F547-I583 HydrophobicContact CE1-CD1 3.79Å; F547-I583 HydrophobicContact CE2-CD1 4.35Å; F547-I583 HydrophobicContact CG-CD1 3.41Å; F547-I583 VanDerWaalsContact CG-CD1 3.41Å; F547-I583 HydrophobicContact CG-CG1 4.34Å; F547-I583 HydrophobicContact CZ-CD1 4.29Å; F547-D593 CarbonylContact C-O 3.52Å; F547-D593 WeakPolarHBondContact CA-O 3.3Å; F547-D593 VanDerWaalsContact CB-O 3.22Å; F547-D593 WeakPolarHBondContact CB-O 3.37Å; F547-V595 HydrophobicContact CD2-CG2 3.7Å; F547-V595 HydrophobicContact CE2-CG2 3.66Å
548	S	95.9	Very high	93.2	Very high	21 Å²	21	58.2 Å²	58.2	15%	0.147	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-93.6	157.6	176.3	75.9	0	0	0	0	111.7	E591 D593 T594 V595	S548-E591 WeakPolarHBondContact CB-OE1 3.03Å; S548-E591 VanDerWaalsContact OG-CD 3.27Å; S548-E591 PolarHBondContact OG-OE1 3.46Å; S548-D593 PolarHBondContact N-O 3.49Å; S548-T594 CarbonylContact O-C 3.55Å; S548-T594 VanDerWaalsContact O-CA 3.32Å; S548-T594 WeakPolarHBondContact O-CA 3.39Å; S548-T594 PolarHBondContact O-OG1 3.36Å; S548-T594 VanDerWaalsContact O-OG1 3.11Å; S548-T594 VanDerWaalsContact OG-CB 3.29Å; S548-T594 WeakPolarHBondContact OG-CB 3.37Å; S548-T594 PolarHBondContact OG-OG1 2.91Å; S548-V595 PolarHBondContact O-N 3.45Å
549	A	95.3	Very high	93.7	Very high	24 Å²	24	51 Å²	51	20%	0.198	29%	0.286	C	S	.	.			trans	-132.8	98	176.1	0	0	0	0	0	109.4	I531 A533 F552 V595	I531-A549 VanDerWaalsContact O-CB 3.24Å; I531-A549 WeakPolarHBondContact O-CB 3.43Å; A533-A549 HydrophobicContact CB-CB 4.49Å; A549-F552 HydrophobicContact CB-CD2 3.9Å; A549-F552 HydrophobicContact CB-CE2 4.2Å; A549-V595 HydrophobicContact CB-CB 4.32Å; A549-V595 HydrophobicContact CB-CG2 3.93Å
550	R	91.3	Very high	94.4	Very high	146 Å²	146	49.8 Å²	49.8	55%	0.551	28%	0.281	S	S	*	.			trans	-90.8	141.7	-174.9	-56	-60.1	-177.4	-175	-3.9	112.3	F552 R554 E591	R550-F552 VanDerWaalsContact C-N 3.33Å; R550-F552 WeakPolarHBondContact O-CD2 3.45Å; R550-F552 PolarHBondContact O-N 2.65Å; R550-R554 PolarHBondContact O-NE 3.44Å; R550-R554 PolarHBondContact O-NH2 2.96Å; R550-E591 VanDerWaalsContact CG-OE2 3.29Å; R550-E591 WeakPolarHBondContact CG-OE2 3.4Å; R550-E591 IonicContact CZ-OE1 3.62Å; R550-E591 VanDerWaalsContact CZ-OE1 3.31Å; R550-E591 IonicContact CZ-OE2 2.7Å; R550-E591 IonicContact NE-OE1 3.8Å; R550-E591 PolarHBondContact NE-OE1 3.28Å; R550-E591 IonicContact NE-OE2 3.56Å; R550-E591 PolarHBondContact NE-OE2 3.04Å; R550-E591 IonicContact NH2-OE1 3.76Å; R550-E591 PolarHBondContact NH2-OE1 2.9Å; R550-E591 IonicContact NH2-OE2 2.76Å
551	G	89.1	Confident	94.6	Very high	63 Å²	63	51.2 Å²	51.2	65%	0.649	29%	0.289	S	S	*	.	S	Bend	trans	71.3	19.5	172.4	0	0	0	0	0	115.5	P553 R554	G551-P553 CarbonylContact O-C 3.52Å; G551-R554 WeakPolarHBondContact O-CG 3.05Å
552	F	94.1	Very high	94.9	Very high	36 Å²	36	53 Å²	53	16%	0.158	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-88	143.6	172.3	-71.6	-85.9	0	0	0	111	Y529 I531 A549 R550 R554 F581 V595	Y529-F552 WeakPolarHBondContact O-CD1 3.41Å; I531-F552 HydrophobicContact CB-CD1 4.15Å; I531-F552 HydrophobicContact CB-CE1 3.87Å; I531-F552 HydrophobicContact CB-CE2 4.3Å; I531-F552 HydrophobicContact CB-CG 4.49Å; I531-F552 HydrophobicContact CB-CZ 3.95Å; I531-F552 HydrophobicContact CD1-CE1 4.11Å; I531-F552 HydrophobicContact CD1-CZ 4.08Å; I531-F552 HydrophobicContact CG1-CD1 4.46Å; I531-F552 HydrophobicContact CG1-CE1 3.89Å; I531-F552 HydrophobicContact CG1-CZ 4.19Å; A549-F552 HydrophobicContact CB-CD2 3.9Å; A549-F552 HydrophobicContact CB-CE2 4.2Å; R550-F552 VanDerWaalsContact C-N 3.33Å; R550-F552 WeakPolarHBondContact O-CD2 3.45Å; R550-F552 PolarHBondContact O-N 2.65Å; F552-R554 HydrophobicContact CD1-CB 4.34Å; F552-R554 HydrophobicContact CD1-CG 3.93Å; F552-R554 HydrophobicContact CE1-CB 4.34Å; F552-R554 HydrophobicContact CE1-CG 3.94Å; F552-R554 HydrophobicContact CG-CG 4.31Å; F552-R554 HydrophobicContact CZ-CG 4.32Å; F552-F581 HydrophobicContact CE1-CE1 4.02Å; F552-F581 HydrophobicContact CE1-CE2 4.4Å; F552-F581 AromaticContact CE1-CZ 3.88Å; F552-F581 HydrophobicContact CE1-CZ 3.88Å; F552-F581 HydrophobicContact CZ-CD1 4.03Å; F552-F581 AromaticContact CZ-CE1 3.73Å; F552-F581 HydrophobicContact CZ-CE1 3.73Å; F552-F581 HydrophobicContact CZ-CZ 4.06Å; F552-V595 HydrophobicContact CE2-CB 3.97Å; F552-V595 HydrophobicContact CE2-CG1 3.73Å; F552-V595 HydrophobicContact CZ-CB 4.41Å; F552-V595 HydrophobicContact CZ-CG1 3.65Å
553	P	95.8	Very high	95.2	Very high	68 Å²	68	53 Å²	53	44%	0.442	29%	0.287	S	S	.	.	S	Bend	cis	-71.9	134.7	0.2	29.7	-35.2	0	0	0	113.2	V528 Y529 G551	V528-P553 HydrophobicContact CG1-CB 3.78Å; Y529-P553 CarbonylContact O-C 3.57Å; Y529-P553 WeakPolarHBondContact O-CA 3.33Å; G551-P553 CarbonylContact O-C 3.52Å
554	R	96.1	Very high	95.4	Very high	37 Å²	37	49.6 Å²	49.6	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	118.3	178.1	-70.1	-174	-172.4	176.9	11.3	109.6	V528 Y529 R550 G551 F552 V595 W597	V528-R554 WeakPolarHBondContact CA-O 3.34Å; Y529-R554 PolarHBondContact N-O 3.23Å; Y529-R554 PolarHBondContact O-N 3.09Å; R550-R554 PolarHBondContact O-NE 3.44Å; R550-R554 PolarHBondContact O-NH2 2.96Å; G551-R554 WeakPolarHBondContact O-CG 3.05Å; F552-R554 HydrophobicContact CD1-CB 4.34Å; F552-R554 HydrophobicContact CD1-CG 3.93Å; F552-R554 HydrophobicContact CE1-CB 4.34Å; F552-R554 HydrophobicContact CE1-CG 3.94Å; F552-R554 HydrophobicContact CG-CG 4.31Å; F552-R554 HydrophobicContact CZ-CG 4.32Å; R554-V595 PolarHBondContact NH2-O 2.93Å; R554-W597 HydrophobicContact CB-CH2 4.5Å; R554-W597 HydrophobicContact CB-CZ2 4.38Å
555	H	95.5	Very high	95.6	Very high	46 Å²	46	50 Å²	50	21%	0.213	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.7	177	-67.2	-83.3	0	0	0	110.6	I527 V528 T604	I527-H555 WeakPolarHBondContact O-CA 3.44Å; V528-H555 WeakPolarHBondContact CG2-ND1 3.4Å; H555-T604 WeakPolarHBondContact O-CA 3.33Å
556	C	97.6	Very high	95.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.3	176.9	-43.1	0	0	0	0	110.1	R526 I527 H602 K603	R526-C556 WeakPolarHBondContact CA-O 3.38Å; I527-C556 HydrophobicContact CB-CB 4.26Å; I527-C556 PolarHBondContact N-O 2.6Å; I527-C556 PolarHBondContact O-N 3.3Å; C556-H602 HydrophobicContact CB-CB 4.2Å; C556-K603 CarbonylContact C-O 3.56Å; C556-K603 WeakPolarHBondContact CA-O 3.49Å
557	Y	97.8	Very high	95.6	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.7	-172.9	-46	-73.5	0	0	0	111.8	L378 P380 T524 I525 R526 K603 F606 Y615	L378-Y557 PolarHBondContact O-OH 3.36Å; P380-Y557 WeakPolarHBondContact CD-OH 3.27Å; P380-Y557 HydrophobicContact CG-CE1 4.35Å; T524-Y557 HydrophobicContact CG2-CD1 4.18Å; T524-Y557 HydrophobicContact CG2-CG 4.43Å; I525-Y557 WeakPolarHBondContact O-CA 3.33Å; R526-Y557 HydrophobicContact CB-CD1 4.4Å; R526-Y557 HydrophobicContact CG-CD1 4.1Å; R526-Y557 HydrophobicContact CG-CE1 3.91Å; Y557-K603 WeakPolarHBondContact CD2-O 3.31Å; Y557-K603 PolarHBondContact N-O 3.01Å; Y557-F606 AromaticContact CD1-CD2 3.78Å; Y557-F606 HydrophobicContact CD1-CD2 3.78Å; Y557-F606 HydrophobicContact CD2-CB 3.99Å; Y557-F606 HydrophobicContact CD2-CD2 4.3Å; Y557-F606 HydrophobicContact CE1-CB 4.36Å; Y557-F606 AromaticContact CE1-CD2 3.97Å; Y557-F606 HydrophobicContact CE1-CD2 3.97Å; Y557-F606 HydrophobicContact CE2-CB 3.65Å; Y557-F606 HydrophobicContact CE2-CD2 4.48Å; Y557-F606 HydrophobicContact CG-CB 4.49Å; Y557-F606 AromaticContact CG-CD2 3.95Å; Y557-F606 HydrophobicContact CG-CD2 3.95Å; Y557-Y615 PolarHBondContact O-OH 2.91Å
558	L	98.1	Very high	95.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.3	168.3	-54.1	174.1	0	0	0	108.9	T524 I525 I527 V567 L568 L571 Y620 L621	T524-L558 CarbonylContact C-O 3.41Å; T524-L558 WeakPolarHBondContact CA-O 3.26Å; T524-L558 WeakPolarHBondContact CG2-O 3.27Å; I525-L558 HydrophobicContact CB-CB 4.23Å; I525-L558 PolarHBondContact N-O 3.22Å; I525-L558 PolarHBondContact O-N 3.49Å; I527-L558 HydrophobicContact CD1-CD1 3.9Å; I527-L558 HydrophobicContact CD1-CG 4.23Å; L558-V567 HydrophobicContact CD1-CB 4.3Å; L558-V567 HydrophobicContact CD1-CG1 3.85Å; L558-V567 HydrophobicContact CD2-CG1 4.11Å; L558-L568 HydrophobicContact CD1-CB 4.08Å; L558-L571 HydrophobicContact CD1-CD1 4.09Å; L558-Y620 HydrophobicContact CD2-CE1 3.63Å; L558-Y620 WeakPolarHBondContact CD2-OH 3.42Å; L558-L621 HydrophobicContact CD2-CD2 4.33Å
559	P	97.6	Very high	95.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	142.1	169.5	28.4	-34.6	0	0	0	111.3	L516 Y519 N561 G564 L621	L516-P559 HydrophobicContact CD1-CB 4.48Å; Y519-P559 HydrophobicContact CD1-CB 3.84Å; Y519-P559 HydrophobicContact CD1-CG 4.07Å; Y519-P559 HydrophobicContact CD2-CB 3.96Å; Y519-P559 HydrophobicContact CD2-CG 4.07Å; Y519-P559 HydrophobicContact CE1-CB 4.26Å; Y519-P559 HydrophobicContact CE1-CG 3.96Å; Y519-P559 HydrophobicContact CE2-CB 4.36Å; Y519-P559 HydrophobicContact CE2-CG 3.95Å; Y519-P559 HydrophobicContact CG-CB 3.67Å; Y519-P559 HydrophobicContact CG-CG 4.11Å; P559-N561 PolarHBondContact O-N 3.16Å; P559-G564 WeakPolarHBondContact O-CA 3.32Å; P559-L621 HydrophobicContact CG-CD1 3.85Å
560	D	96.9	Very high	95.6	Very high	23 Å²	23	43.3 Å²	43.3	12%	0.123	21%	0.21	C	C	.	.	S	Bend	trans	-83.4	55	175.1	-170.1	19	0	0	0	111.4	V511 K523 I525 R565	V511-D560 HydrophobicContact CG1-CB 4.44Å; V511-D560 WeakPolarHBondContact CG2-OD2 3.26Å; K523-D560 HydrophobicContact CB-CB 4.16Å; K523-D560 WeakPolarHBondContact O-CB 3.45Å; K523-D560 PolarHBondContact O-N 2.51Å; I525-D560 HydrophobicContact CD1-CB 4.48Å; I525-D560 HydrophobicContact CG1-CB 3.9Å; D560-R565 VanDerWaalsContact C-NH1 3.31Å; D560-R565 PolarHBondContact O-NH1 3.46Å; D560-R565 WeakPolarHBondContact OD1-CD 3.17Å; D560-R565 IonicContact OD1-CZ 3.1Å; D560-R565 IonicContact OD1-NH1 3.48Å; D560-R565 PolarHBondContact OD1-NH1 3.16Å
561	N	95.8	Very high	95.9	Very high	43 Å²	43	36.3 Å²	36.3	23%	0.23	18%	0.184	C	C	.	.	S	Bend	trans	-108.2	177	168.2	65.2	28.6	0	0	0	109.8	P559 K563 G564 R565	P559-N561 PolarHBondContact O-N 3.16Å; N561-K563 VanDerWaalsContact C-N 3.33Å; N561-K563 PolarHBondContact O-N 3.4Å; N561-K563 PolarHBondContact OD1-N 2.77Å; N561-G564 PolarHBondContact O-N 2.99Å; N561-G564 PolarHBondContact OD1-N 3.44Å; N561-R565 WeakPolarHBondContact O-CG 3.48Å; N561-R565 PolarHBondContact O-N 3.3Å
562	E	95.1	Very high	96.2	Very high	123 Å²	123	33.9 Å²	33.9	58%	0.575	16%	0.156	S	C	*	.	H	α-helix	trans	-58.4	-44.8	-176.8	-164.7	-156.7	125.3	0	0	112.3	R565 R566	E562-R565 PolarHBondContact O-N 3.39Å; E562-R566 VanDerWaalsContact O-CB 3.27Å; E562-R566 WeakPolarHBondContact O-CB 3.42Å; E562-R566 PolarHBondContact O-N 3.03Å; E562-R566 IonicContact OE1-CZ 3.17Å; E562-R566 IonicContact OE1-NE 3.18Å; E562-R566 IonicContact OE1-NH2 2.69Å; E562-R566 PolarHBondContact OE1-NH2 3.4Å
563	K	95.5	Very high	96.2	Very high	69 Å²	69	33.3 Å²	33.3	30%	0.3	15%	0.154	S	C	.	.	H	α-helix	trans	-64.7	-40.4	179.6	-164.3	174.4	-169	168.5	0	112.3	N561 R566 V567 L621 D622	N561-K563 VanDerWaalsContact C-N 3.33Å; N561-K563 PolarHBondContact O-N 3.4Å; N561-K563 PolarHBondContact OD1-N 2.77Å; K563-R566 WeakPolarHBondContact O-CB 3.31Å; K563-R566 PolarHBondContact O-N 2.81Å; K563-V567 WeakPolarHBondContact O-CG2 3.4Å; K563-V567 PolarHBondContact O-N 2.81Å; K563-L621 HydrophobicContact CB-CD1 4.16Å; K563-L621 HydrophobicContact CD-CB 3.89Å; K563-L621 HydrophobicContact CD-CD1 4Å; K563-L621 HydrophobicContact CG-CB 4.17Å; K563-L621 HydrophobicContact CG-CD1 4.05Å; K563-D622 WeakPolarHBondContact CE-OD1 3.23Å; K563-D622 IonicContact NZ-OD1 2.74Å; K563-D622 PolarHBondContact NZ-OD1 3.48Å; K563-D622 IonicContact NZ-OD2 3.33Å; K563-D622 PolarHBondContact NZ-OD2 3.09Å
564	G	96.6	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-68.7	-37.8	175.4	0	0	0	0	0	113.3	P559 N561 V567 L568	P559-G564 WeakPolarHBondContact O-CA 3.32Å; N561-G564 PolarHBondContact O-N 2.99Å; N561-G564 PolarHBondContact OD1-N 3.44Å; G564-V567 PolarHBondContact O-N 2.9Å; G564-L568 PolarHBondContact O-N 2.85Å
565	R	95.9	Very high	96.1	Very high	67 Å²	67	28.3 Å²	28.3	25%	0.253	13%	0.126	S	C	.	.	H	α-helix	trans	-65.4	-40.2	172	-72	-172.4	-69.5	-87.7	1.6	112.2	V391 P392 I525 D560 N561 E562 L568 K569	V391-R565 HydrophobicContact CG1-CG 3.91Å; P392-R565 WeakPolarHBondContact O-CD 3.42Å; I525-R565 HydrophobicContact CD1-CG 3.84Å; D560-R565 VanDerWaalsContact C-NH1 3.31Å; D560-R565 PolarHBondContact O-NH1 3.46Å; D560-R565 WeakPolarHBondContact OD1-CD 3.17Å; D560-R565 IonicContact OD1-CZ 3.1Å; D560-R565 IonicContact OD1-NH1 3.48Å; D560-R565 PolarHBondContact OD1-NH1 3.16Å; N561-R565 WeakPolarHBondContact O-CG 3.48Å; N561-R565 PolarHBondContact O-N 3.3Å; E562-R565 PolarHBondContact O-N 3.39Å; R565-L568 PolarHBondContact O-N 2.62Å; R565-K569 PolarHBondContact O-N 3.49Å
566	R	94.5	Very high	95.9	Very high	88 Å²	88	29.4 Å²	29.4	33%	0.332	13%	0.133	S	C	.	.	H	α-helix	trans	-60.1	-49	173.3	178.6	-169.5	-70.4	-116.8	10.5	111.4	E562 K563 L568 K569 L570 E635	E562-R566 VanDerWaalsContact O-CB 3.27Å; E562-R566 WeakPolarHBondContact O-CB 3.42Å; E562-R566 PolarHBondContact O-N 3.03Å; E562-R566 IonicContact OE1-CZ 3.17Å; E562-R566 IonicContact OE1-NE 3.18Å; E562-R566 IonicContact OE1-NH2 2.69Å; E562-R566 PolarHBondContact OE1-NH2 3.4Å; K563-R566 WeakPolarHBondContact O-CB 3.31Å; K563-R566 PolarHBondContact O-N 2.81Å; R566-L568 VanDerWaalsContact C-N 3.35Å; R566-L568 PolarHBondContact O-N 2.95Å; R566-K569 PolarHBondContact O-N 3.16Å; R566-L570 PolarHBondContact O-N 2.8Å; R566-E635 WeakPolarHBondContact CD-OE1 3.48Å; R566-E635 WeakPolarHBondContact CG-OE1 3.35Å; R566-E635 IonicContact CZ-OE1 3.38Å; R566-E635 IonicContact NE-OE1 2.73Å; R566-E635 VanDerWaalsContact NH1-CD 3.32Å; R566-E635 IonicContact NH1-OE1 2.71Å; R566-E635 PolarHBondContact NH1-OE1 3.29Å; R566-E635 IonicContact NH1-OE2 2.74Å; R566-E635 PolarHBondContact NH1-OE2 3.27Å; R566-E635 VanDerWaalsContact NH1-OE2 3.13Å
567	V	97.1	Very high	95.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-57.5	-43.8	171.6	168.9	0	0	0	0	111.6	L558 K563 G564 K569 L570 L571 L621 V624 L625	L558-V567 HydrophobicContact CD1-CB 4.3Å; L558-V567 HydrophobicContact CD1-CG1 3.85Å; L558-V567 HydrophobicContact CD2-CG1 4.11Å; K563-V567 WeakPolarHBondContact O-CG2 3.4Å; K563-V567 PolarHBondContact O-N 2.81Å; G564-V567 PolarHBondContact O-N 2.9Å; V567-K569 PolarHBondContact O-N 2.82Å; V567-L570 PolarHBondContact O-N 2.94Å; V567-L571 HydrophobicContact CG1-CD1 3.82Å; V567-L571 HydrophobicContact CG1-CG 4.14Å; V567-L571 WeakPolarHBondContact O-CG 3.35Å; V567-L571 PolarHBondContact O-N 2.69Å; V567-L621 HydrophobicContact CG2-CD2 4.23Å; V567-V624 HydrophobicContact CG1-CG1 3.74Å; V567-V624 HydrophobicContact CG2-CG1 3.92Å; V567-L625 HydrophobicContact CG2-CD1 4.33Å; V567-L625 HydrophobicContact CG2-CD2 3.73Å; V567-L625 HydrophobicContact CG2-CG 3.78Å
568	L	96.8	Very high	95.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-40.9	177	176.5	60.5	0	0	0	112.6	V391 I394 M507 Y509 I525 I527 L558 G564 R565 R566 L570 L571 I572	V391-L568 HydrophobicContact CB-CD2 4.22Å; V391-L568 HydrophobicContact CG1-CD2 4.04Å; V391-L568 HydrophobicContact CG2-CD2 3.86Å; I394-L568 HydrophobicContact CD1-CB 3.99Å; I394-L568 HydrophobicContact CD1-CD2 3.5Å; I394-L568 VanDerWaalsContact CD1-CD2 3.5Å; I394-L568 HydrophobicContact CD1-CG 3.69Å; M507-L568 HydrophobicContact CE-CD1 3.84Å; Y509-L568 HydrophobicContact CD1-CD1 4.34Å; Y509-L568 HydrophobicContact CD2-CD2 3.82Å; Y509-L568 HydrophobicContact CE2-CD2 4.46Å; Y509-L568 HydrophobicContact CG-CD1 4.19Å; Y509-L568 HydrophobicContact CG-CD2 4.01Å; I525-L568 HydrophobicContact CD1-CD2 4.42Å; I525-L568 HydrophobicContact CG2-CD2 3.68Å; I527-L568 HydrophobicContact CD1-CD1 3.75Å; I527-L568 HydrophobicContact CG1-CD1 3.98Å; L558-L568 HydrophobicContact CD1-CB 4.08Å; G564-L568 PolarHBondContact O-N 2.85Å; R565-L568 PolarHBondContact O-N 2.62Å; R566-L568 VanDerWaalsContact C-N 3.35Å; R566-L568 PolarHBondContact O-N 2.95Å; L568-L570 VanDerWaalsContact C-N 3.29Å; L568-L570 PolarHBondContact O-N 2.88Å; L568-L571 PolarHBondContact O-N 2.86Å; L568-I572 HydrophobicContact CD1-CD1 3.99Å; L568-I572 HydrophobicContact CD1-CG1 4.03Å; L568-I572 HydrophobicContact CG-CD1 3.87Å; L568-I572 HydrophobicContact CG-CG1 4.4Å; L568-I572 VanDerWaalsContact O-CG1 3.29Å; L568-I572 WeakPolarHBondContact O-CG1 3.35Å; L568-I572 PolarHBondContact O-N 3.44Å
569	K	95.5	Very high	95.3	Very high	93 Å²	93	32.2 Å²	32.2	40%	0.404	14%	0.144	S	C	.	.	H	α-helix	trans	-57.4	-43.7	175.4	-72.3	-175.9	177.2	-170.7	0	111.5	G393 I394 R565 R566 V567 I572 M573 L638	G393-K569 VanDerWaalsContact O-CE 3.25Å; G393-K569 WeakPolarHBondContact O-CE 3.43Å; I394-K569 HydrophobicContact CD1-CG 3.88Å; I394-K569 HydrophobicContact CG1-CG 3.92Å; R565-K569 PolarHBondContact O-N 3.49Å; R566-K569 PolarHBondContact O-N 3.16Å; V567-K569 PolarHBondContact O-N 2.82Å; K569-I572 PolarHBondContact O-N 3.19Å; K569-M573 PolarHBondContact O-N 2.89Å; K569-L638 HydrophobicContact CB-CD1 4.46Å; K569-L638 HydrophobicContact CB-CD2 4.01Å
570	L	95.9	Very high	95.3	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-70.9	-38.8	177.8	-63	175.9	0	0	0	112.4	R566 V567 L568 I572 M573 A574 L625 L628 V633 G634 L638	R566-L570 PolarHBondContact O-N 2.8Å; V567-L570 PolarHBondContact O-N 2.94Å; L568-L570 VanDerWaalsContact C-N 3.29Å; L568-L570 PolarHBondContact O-N 2.88Å; L570-I572 VanDerWaalsContact C-N 3.32Å; L570-I572 PolarHBondContact O-N 3.21Å; L570-M573 HydrophobicContact CD2-CE 4.2Å; L570-M573 WeakPolarHBondContact O-CB 3.46Å; L570-M573 PolarHBondContact O-N 3.01Å; L570-M573 VanDerWaalsContact O-N 3.14Å; L570-A574 WeakPolarHBondContact O-CB 3.42Å; L570-A574 PolarHBondContact O-N 2.92Å; L570-L625 HydrophobicContact CD1-CD2 3.54Å; L570-L628 HydrophobicContact CB-CD1 3.79Å; L570-L628 HydrophobicContact CB-CD2 4.41Å; L570-L628 HydrophobicContact CD1-CD1 4.48Å; L570-V633 HydrophobicContact CB-CG1 4.14Å; L570-V633 HydrophobicContact CD2-CG1 4.22Å; L570-V633 WeakPolarHBondContact O-CG1 3.35Å; L570-G634 WeakPolarHBondContact CD2-O 3.44Å; L570-L638 HydrophobicContact CD2-CD1 3.98Å; L570-L638 HydrophobicContact CD2-CD2 4.3Å; L570-L638 HydrophobicContact CD2-CG 4.02Å
571	L	97.1	Very high	95.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-36.5	173	-72.3	173.9	0	0	0	112.6	M507 I527 L558 V567 L568 M573 A574 W575 I580 I600 L628	M507-L571 HydrophobicContact CE-CB 4.31Å; I527-L571 HydrophobicContact CD1-CD1 3.76Å; L558-L571 HydrophobicContact CD1-CD1 4.09Å; V567-L571 HydrophobicContact CG1-CD1 3.82Å; V567-L571 HydrophobicContact CG1-CG 4.14Å; V567-L571 WeakPolarHBondContact O-CG 3.35Å; V567-L571 PolarHBondContact O-N 2.69Å; L568-L571 PolarHBondContact O-N 2.86Å; L571-M573 VanDerWaalsContact C-N 3.35Å; L571-A574 PolarHBondContact O-N 3.29Å; L571-W575 WeakPolarHBondContact O-CB 3.31Å; L571-W575 PolarHBondContact O-N 3.39Å; L571-I580 HydrophobicContact CD2-CD1 3.83Å; L571-I600 HydrophobicContact CD2-CG2 3.76Å; L571-L628 HydrophobicContact CD2-CD1 4.27Å; L571-L628 HydrophobicContact CD2-CD2 4.26Å; L571-L628 HydrophobicContact CG-CD1 4.39Å
572	I	95.1	Very high	95.3	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.062	14%	0.135	C	C	.	.	H	α-helix	trans	-62.6	-43.1	172.5	-72.4	162.5	0	0	0	110.5	I394 R399 M507 Y509 L568 K569 L570 W575 D576	I394-I572 HydrophobicContact CG2-CD1 3.6Å; R399-I572 HydrophobicContact CG-CG2 4.11Å; M507-I572 HydrophobicContact CE-CG1 3.79Å; M507-I572 HydrophobicContact SD-CG1 4.07Å; Y509-I572 HydrophobicContact CD1-CD1 4.16Å; Y509-I572 HydrophobicContact CD1-CG1 4.29Å; Y509-I572 HydrophobicContact CE1-CD1 3.51Å; Y509-I572 HydrophobicContact CE1-CG1 3.78Å; Y509-I572 HydrophobicContact CE2-CD1 4.1Å; Y509-I572 VanDerWaalsContact CZ-CD1 3.48Å; L568-I572 HydrophobicContact CD1-CD1 3.99Å; L568-I572 HydrophobicContact CD1-CG1 4.03Å; L568-I572 HydrophobicContact CG-CD1 3.87Å; L568-I572 HydrophobicContact CG-CG1 4.4Å; L568-I572 VanDerWaalsContact O-CG1 3.29Å; L568-I572 WeakPolarHBondContact O-CG1 3.35Å; L568-I572 PolarHBondContact O-N 3.44Å; K569-I572 PolarHBondContact O-N 3.19Å; L570-I572 VanDerWaalsContact C-N 3.32Å; L570-I572 PolarHBondContact O-N 3.21Å; I572-W575 PolarHBondContact O-N 2.72Å; I572-D576 PolarHBondContact O-N 2.96Å
573	M	92.9	Very high	95.3	Very high	24 Å²	24	24.8 Å²	24.8	12%	0.118	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-43.3	176	-167.9	-163	-52.9	0	0	111.9	K569 L570 L571 W575 D576 R577 V633 N637 L638	K569-M573 PolarHBondContact O-N 2.89Å; L570-M573 HydrophobicContact CD2-CE 4.2Å; L570-M573 WeakPolarHBondContact O-CB 3.46Å; L570-M573 PolarHBondContact O-N 3.01Å; L570-M573 VanDerWaalsContact O-N 3.14Å; L571-M573 VanDerWaalsContact C-N 3.35Å; M573-W575 VanDerWaalsContact C-N 3.31Å; M573-W575 PolarHBondContact O-N 3.31Å; M573-D576 PolarHBondContact O-N 3.24Å; M573-R577 WeakPolarHBondContact O-CB 3.34Å; M573-R577 WeakPolarHBondContact O-CG 3.23Å; M573-R577 PolarHBondContact O-N 3.23Å; M573-V633 HydrophobicContact CB-CG1 4.12Å; M573-V633 HydrophobicContact CG-CG1 4.36Å; M573-V633 HydrophobicContact SD-CG1 3.86Å; M573-N637 HydrophobicContact CE-CB 3.68Å; M573-N637 WeakPolarHBondContact CE-O 3.37Å; M573-N637 HydrophobicContact SD-CB 3.48Å; M573-N637 WeakPolarHBondContact SD-CB 3.5Å; M573-L638 HydrophobicContact CE-CB 4.35Å; M573-L638 HydrophobicContact CE-CD2 3.47Å; M573-L638 VanDerWaalsContact CE-CD2 3.47Å; M573-L638 HydrophobicContact CE-CG 3.7Å
574	A	95.2	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62	-38.6	175.2	0	0	0	0	0	111.7	L570 L571 R577 R578 L579 I580 I600 L628 V633	L570-A574 WeakPolarHBondContact O-CB 3.42Å; L570-A574 PolarHBondContact O-N 2.92Å; L571-A574 PolarHBondContact O-N 3.29Å; A574-R577 CarbonylContact O-C 3.55Å; A574-R577 PolarHBondContact O-N 3.1Å; A574-R578 PolarHBondContact O-N 3.49Å; A574-L579 HydrophobicContact CB-CB 4.24Å; A574-L579 WeakPolarHBondContact O-CB 3.33Å; A574-L579 PolarHBondContact O-N 2.66Å; A574-I580 HydrophobicContact CB-CD1 3.66Å; A574-I580 HydrophobicContact CB-CG1 4.43Å; A574-I600 HydrophobicContact CB-CD1 4.08Å; A574-L628 HydrophobicContact CB-CD2 3.73Å; A574-V633 HydrophobicContact CB-CG1 4.36Å; A574-V633 HydrophobicContact CB-CG2 4.17Å
575	W	95.1	Very high	94.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.4	-47.5	172.4	172.5	-88.6	0	0	0	112.4	T401 K506 M507 Y529 I531 L571 I572 M573 R577 R578 I580 F581	T401-W575 HydrophobicContact CG2-CZ2 4.17Å; K506-W575 VanDerWaalsContact C-CZ2 3.42Å; K506-W575 WeakPolarHBondContact O-CH2 3.46Å; M507-W575 HydrophobicContact CB-CD2 3.63Å; M507-W575 HydrophobicContact CB-CE3 4.07Å; M507-W575 HydrophobicContact CB-CG 3.98Å; M507-W575 HydrophobicContact CB-CH2 4.49Å; M507-W575 HydrophobicContact CB-CZ2 4.1Å; M507-W575 HydrophobicContact CB-CZ3 4.47Å; M507-W575 HydrophobicContact CG-CD2 4.44Å; M507-W575 HydrophobicContact CG-CG 4.48Å; M507-W575 HydrophobicContact SD-CB 3.71Å; M507-W575 HydrophobicContact SD-CD2 4.22Å; M507-W575 HydrophobicContact SD-CG 3.71Å; Y529-W575 HydrophobicContact CD1-CD2 4.42Å; Y529-W575 AromaticContact CD1-CE3 3.52Å; Y529-W575 HydrophobicContact CD1-CE3 3.52Å; Y529-W575 HydrophobicContact CD1-CH2 4.35Å; Y529-W575 AromaticContact CD1-CZ3 3.47Å; Y529-W575 HydrophobicContact CD1-CZ3 3.47Å; Y529-W575 VanDerWaalsContact CD1-CZ3 3.47Å; Y529-W575 HydrophobicContact CE1-CD2 4.28Å; Y529-W575 AromaticContact CE1-CE3 3.52Å; Y529-W575 HydrophobicContact CE1-CE3 3.52Å; Y529-W575 AromaticContact CE1-CZ3 3.99Å; Y529-W575 HydrophobicContact CE1-CZ3 3.99Å; Y529-W575 HydrophobicContact CG-CZ3 4.39Å; I531-W575 HydrophobicContact CD1-CH2 4.24Å; I531-W575 HydrophobicContact CD1-CZ3 4.17Å; I531-W575 HydrophobicContact CG1-CH2 4.12Å; I531-W575 HydrophobicContact CG1-CZ3 4.46Å; L571-W575 WeakPolarHBondContact O-CB 3.31Å; L571-W575 PolarHBondContact O-N 3.39Å; I572-W575 PolarHBondContact O-N 2.72Å; M573-W575 VanDerWaalsContact C-N 3.31Å; M573-W575 PolarHBondContact O-N 3.31Å; W575-R577 VanDerWaalsContact C-N 3.25Å; W575-R577 PolarHBondContact O-N 3.3Å; W575-R578 PolarHBondContact O-N 3.42Å; W575-I580 HydrophobicContact CB-CG1 4.02Å; W575-I580 HydrophobicContact CE3-CB 4.44Å; W575-I580 HydrophobicContact CE3-CG1 4.29Å; W575-F581 HydrophobicContact CZ3-CD2 4.08Å; W575-F581 AromaticContact CZ3-CE2 3.98Å; W575-F581 HydrophobicContact CZ3-CE2 3.98Å
576	D	91.9	Very high	94.4	Very high	68 Å²	68	24.3 Å²	24.3	36%	0.364	12%	0.124	S	C	.	.	H	α-helix	trans	-66.1	-28.7	177.5	-75	-14.6	0	0	0	111.4	R399 I572 M573 R578	R399-D576 IonicContact CZ-OD2 2.77Å; R399-D576 IonicContact NH1-OD2 2.97Å; R399-D576 PolarHBondContact NH1-OD2 2.82Å; I572-D576 PolarHBondContact O-N 2.96Å; M573-D576 PolarHBondContact O-N 3.24Å; D576-R578 VanDerWaalsContact C-N 3.33Å
577	R	92.1	Very high	93.7	Very high	28 Å²	28	26.1 Å²	26.1	11%	0.106	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	4.5	169	-72.2	-179.6	172.7	170.9	-1.8	114.6	E497 T499 G500 M573 A574 W575 L579 G632 N637	E497-R577 IonicContact OE2-CZ 3.06Å; E497-R577 VanDerWaalsContact OE2-CZ 3.28Å; E497-R577 IonicContact OE2-NE 2.74Å; E497-R577 PolarHBondContact OE2-NE 3Å; E497-R577 IonicContact OE2-NH2 3.73Å; E497-R577 PolarHBondContact OE2-NH2 2.95Å; T499-R577 WeakPolarHBondContact CA-O 3.17Å; T499-R577 VanDerWaalsContact CB-O 3.29Å; T499-R577 WeakPolarHBondContact CB-O 3.25Å; T499-R577 HydrophobicContact CG2-CB 4.44Å; G500-R577 PolarHBondContact N-O 2.67Å; M573-R577 WeakPolarHBondContact O-CB 3.34Å; M573-R577 WeakPolarHBondContact O-CG 3.23Å; M573-R577 PolarHBondContact O-N 3.23Å; A574-R577 CarbonylContact O-C 3.55Å; A574-R577 PolarHBondContact O-N 3.1Å; W575-R577 VanDerWaalsContact C-N 3.25Å; W575-R577 PolarHBondContact O-N 3.3Å; R577-L579 HydrophobicContact CB-CD1 3.79Å; R577-L579 HydrophobicContact CB-CG 4.1Å; R577-L579 PolarHBondContact O-N 3.03Å; R577-G632 PolarHBondContact NH1-O 3.44Å; R577-N637 PolarHBondContact NH1-OD1 3.28Å
578	R	94.1	Very high	92.7	Very high	33 Å²	33	32 Å²	32	13%	0.125	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	34.3	177	-61.2	177	69.4	-162.4	4.5	114.9	T401 G500 T501 Q502 E539 A574 W575 D576	T401-R578 HydrophobicContact CG2-CG 4.44Å; G500-R578 CarbonylContact C-O 3.49Å; G500-R578 WeakPolarHBondContact CA-O 3.41Å; G500-R578 PolarHBondContact N-O 3.48Å; G500-R578 WeakPolarHBondContact O-CB 3.34Å; T501-R578 PolarHBondContact O-NH2 3.27Å; Q502-R578 HydrophobicContact CB-CB 3.65Å; Q502-R578 HydrophobicContact CB-CG 4.32Å; Q502-R578 WeakPolarHBondContact CB-O 3.46Å; Q502-R578 PolarHBondContact N-O 3.46Å; Q502-R578 PolarHBondContact O-NE 3.08Å; Q502-R578 PolarHBondContact O-NH2 3.3Å; E539-R578 IonicContact OE1-CZ 2.72Å; E539-R578 IonicContact OE1-NH1 2.86Å; E539-R578 IonicContact OE1-NH2 2.75Å; E539-R578 PolarHBondContact OE1-NH2 3.29Å; E539-R578 IonicContact OE2-CZ 3.63Å; E539-R578 IonicContact OE2-NH1 2.74Å; E539-R578 PolarHBondContact OE2-NH1 3.16Å; E539-R578 IonicContact OE2-NH2 2.82Å; E539-R578 PolarHBondContact OE2-NH2 3.23Å; A574-R578 PolarHBondContact O-N 3.49Å; W575-R578 PolarHBondContact O-N 3.42Å; D576-R578 VanDerWaalsContact C-N 3.33Å
579	L	95.1	Very high	91.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.213	C	C	.	.			trans	-103.4	-8.8	-172.7	-66.8	166.9	0	0	0	115.5	K498 A574 R577 N598 I600 Q631 V633	K498-L579 HydrophobicContact CG-CD2 4.35Å; A574-L579 HydrophobicContact CB-CB 4.24Å; A574-L579 WeakPolarHBondContact O-CB 3.33Å; A574-L579 PolarHBondContact O-N 2.66Å; R577-L579 HydrophobicContact CB-CD1 3.79Å; R577-L579 HydrophobicContact CB-CG 4.1Å; R577-L579 PolarHBondContact O-N 3.03Å; L579-N598 PolarHBondContact O-ND2 2.98Å; L579-I600 HydrophobicContact CB-CD1 4.3Å; L579-Q631 HydrophobicContact CD1-CB 4.29Å; L579-V633 HydrophobicContact CD1-CG2 3.64Å
580	I	97.5	Very high	91.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-78.1	-36.8	-174.2	-53	-64.6	0	0	0	112.3	Y529 L571 A574 W575 W597 N598 I600	Y529-I580 HydrophobicContact CE1-CG2 4.3Å; Y529-I580 HydrophobicContact CE2-CG2 4.17Å; L571-I580 HydrophobicContact CD2-CD1 3.83Å; A574-I580 HydrophobicContact CB-CD1 3.66Å; A574-I580 HydrophobicContact CB-CG1 4.43Å; W575-I580 HydrophobicContact CB-CG1 4.02Å; W575-I580 HydrophobicContact CE3-CB 4.44Å; W575-I580 HydrophobicContact CE3-CG1 4.29Å; I580-W597 HydrophobicContact CG2-CE3 4.08Å; I580-W597 HydrophobicContact CG2-CZ3 3.8Å; I580-N598 PolarHBondContact O-N 3.45Å; I580-I600 HydrophobicContact CD1-CD1 4.19Å
581	F	96.9	Very high	91.2	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	160.3	178.3	-53.8	-91.8	0	0	0	111.6	Q502 Y529 I531 F552 W575 V595 V596 W597	Q502-F581 WeakPolarHBondContact CA-O 3.39Å; Q502-F581 WeakPolarHBondContact CB-O 3.33Å; Q502-F581 HydrophobicContact CG-CB 4.12Å; Q502-F581 HydrophobicContact CG-CD2 4.42Å; Q502-F581 PolarHBondContact N-O 3.5Å; Y529-F581 AromaticContact CD1-CE2 3.89Å; Y529-F581 HydrophobicContact CD1-CE2 3.89Å; Y529-F581 HydrophobicContact CD1-CZ 4.49Å; Y529-F581 AromaticContact CD2-CE2 3.92Å; Y529-F581 HydrophobicContact CD2-CE2 3.92Å; Y529-F581 AromaticContact CD2-CZ 3.73Å; Y529-F581 HydrophobicContact CD2-CZ 3.73Å; Y529-F581 HydrophobicContact CE1-CE2 4.42Å; Y529-F581 HydrophobicContact CE2-CE2 4.43Å; Y529-F581 HydrophobicContact CE2-CZ 4.39Å; Y529-F581 AromaticContact CG-CE2 3.61Å; Y529-F581 HydrophobicContact CG-CE2 3.61Å; Y529-F581 AromaticContact CG-CZ 3.77Å; Y529-F581 HydrophobicContact CG-CZ 3.77Å; I531-F581 HydrophobicContact CD1-CB 4.07Å; I531-F581 HydrophobicContact CD1-CD2 3.39Å; I531-F581 HydrophobicContact CD1-CE2 3.9Å; I531-F581 HydrophobicContact CD1-CG 3.76Å; F552-F581 HydrophobicContact CE1-CE1 4.02Å; F552-F581 HydrophobicContact CE1-CE2 4.4Å; F552-F581 AromaticContact CE1-CZ 3.88Å; F552-F581 HydrophobicContact CE1-CZ 3.88Å; F552-F581 HydrophobicContact CZ-CD1 4.03Å; F552-F581 AromaticContact CZ-CE1 3.73Å; F552-F581 HydrophobicContact CZ-CE1 3.73Å; F552-F581 HydrophobicContact CZ-CZ 4.06Å; W575-F581 HydrophobicContact CZ3-CD2 4.08Å; W575-F581 AromaticContact CZ3-CE2 3.98Å; W575-F581 HydrophobicContact CZ3-CE2 3.98Å; F581-V595 HydrophobicContact CB-CG1 3.88Å; F581-V595 HydrophobicContact CD1-CG1 4.05Å; F581-V595 HydrophobicContact CG-CG1 4.14Å; F581-V596 CarbonylContact C-O 3.19Å; F581-V596 WeakPolarHBondContact CA-O 3.39Å; F581-V596 VanDerWaalsContact CB-O 3.28Å; F581-V596 WeakPolarHBondContact CB-O 3.48Å; F581-V596 WeakPolarHBondContact CD1-O 3.48Å; F581-W597 HydrophobicContact CD1-CD2 4.22Å; F581-W597 AromaticContact CD1-CE3 3.89Å; F581-W597 HydrophobicContact CD1-CE3 3.89Å; F581-W597 HydrophobicContact CD1-CZ3 4.28Å; F581-W597 AromaticContact CE1-CD2 3.71Å; F581-W597 HydrophobicContact CE1-CD2 3.71Å; F581-W597 AromaticContact CE1-CE3 3.33Å; F581-W597 HydrophobicContact CE1-CE3 3.33Å; F581-W597 AromaticContact CE1-CH2 3.73Å; F581-W597 HydrophobicContact CE1-CH2 3.73Å; F581-W597 HydrophobicContact CE1-CZ2 4.08Å; F581-W597 AromaticContact CE1-CZ3 3.35Å; F581-W597 HydrophobicContact CE1-CZ3 3.35Å; F581-W597 HydrophobicContact CE2-CZ3 4.13Å; F581-W597 HydrophobicContact CZ-CD2 4.47Å; F581-W597 AromaticContact CZ-CE3 3.75Å; F581-W597 HydrophobicContact CZ-CE3 3.75Å; F581-W597 AromaticContact CZ-CH2 3.61Å; F581-W597 HydrophobicContact CZ-CH2 3.61Å; F581-W597 HydrophobicContact CZ-CZ2 4.36Å; F581-W597 AromaticContact CZ-CZ3 3.26Å; F581-W597 HydrophobicContact CZ-CZ3 3.26Å
582	T	95.6	Very high	91	Very high	28 Å²	28	40 Å²	40	17%	0.172	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	172	171.9	-173.8	0	0	0	0	110	T501 V595 V596 N598	T501-T582 PolarHBondContact OG1-OG1 3.31Å; T582-V595 WeakPolarHBondContact O-CA 3.11Å; T582-V596 HydrophobicContact CG2-CG2 3.58Å; T582-V596 PolarHBondContact N-O 3.41Å; T582-V596 PolarHBondContact O-N 2.74Å; T582-N598 HydrophobicContact CG2-CB 3.99Å
583	I	95.1	Very high	91	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.1	166.2	-60.6	-174.3	0	0	0	108.2	P503 Q536 H540 F547 T594	P503-I583 HydrophobicContact CG-CD1 3.76Å; P503-I583 HydrophobicContact CG-CG1 3.63Å; Q536-I583 HydrophobicContact CG-CD1 3.89Å; Q536-I583 HydrophobicContact CG-CG2 4.48Å; H540-I583 HydrophobicContact CB-CD1 4.41Å; H540-I583 VanDerWaalsContact CD2-CD1 3.47Å; H540-I583 WeakPolarHBondContact CD2-CD1 3.35Å; H540-I583 WeakPolarHBondContact NE2-CD1 3.32Å; F547-I583 HydrophobicContact CB-CD1 3.78Å; F547-I583 HydrophobicContact CB-CG2 4.23Å; F547-I583 HydrophobicContact CD1-CD1 3.33Å; F547-I583 HydrophobicContact CD2-CD1 3.93Å; F547-I583 HydrophobicContact CD2-CG1 4.5Å; F547-I583 HydrophobicContact CE1-CD1 3.79Å; F547-I583 HydrophobicContact CE2-CD1 4.35Å; F547-I583 HydrophobicContact CG-CD1 3.41Å; F547-I583 VanDerWaalsContact CG-CD1 3.41Å; F547-I583 HydrophobicContact CG-CG1 4.34Å; F547-I583 HydrophobicContact CZ-CD1 4.29Å; I583-T594 WeakPolarHBondContact CA-O 3.46Å
584	G	92.6	Very high	91.1	Very high	18 Å²	18	39.1 Å²	39.1	19%	0.186	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	-149.7	-179.3	0	0	0	0	0	112	S592 D593 T594	G584-S592 CarbonylContact O-C 3.46Å; G584-D593 PolarHBondContact O-N 3.1Å; G584-D593 VanDerWaalsContact O-N 3.08Å; G584-T594 PolarHBondContact N-O 3.42Å; G584-T594 PolarHBondContact O-N 2.93Å
585	T	90.9	Very high	91.2	Very high	92 Å²	92	39.2 Å²	39.2	56%	0.564	25%	0.25	S	C	*	.			trans	-104.5	128.7	176.2	-56.3	0	0	0	0	109.8	S587 E591	T585-S587 PolarHBondContact O-N 3.08Å; T585-E591 WeakPolarHBondContact CA-O 3.39Å
586	S	84.7	Confident	91.2	Very high	17 Å²	17	40.3 Å²	40.3	12%	0.119	26%	0.256	C	S	.	.			trans	-68.7	121.6	178.5	175.1	0	0	0	0	111.6	T588 T589 G590 E591	S586-T588 PolarHBondContact O-N 3.03Å; S586-T588 PolarHBondContact OG-N 3.14Å; S586-T588 PolarHBondContact OG-OG1 3.44Å; S586-T589 WeakPolarHBondContact CB-OG1 3.41Å; S586-T589 PolarHBondContact O-N 3.15Å; S586-T589 PolarHBondContact OG-N 3.2Å; S586-T589 PolarHBondContact OG-OG1 3.35Å; S586-G590 VanDerWaalsContact O-CA 3.3Å; S586-G590 WeakPolarHBondContact O-CA 3.44Å; S586-G590 PolarHBondContact O-N 3.45Å; S586-E591 PolarHBondContact N-O 3.15Å
587	S	81.4	Confident	91.4	Very high	126 Å²	126	41 Å²	41	88%	0.881	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-23.8	176.1	52.7	0	0	0	0	113.9	T585	T585-S587 PolarHBondContact O-N 3.08Å
588	T	75.2	Confident	91.4	Very high	123 Å²	123	41.3 Å²	41.3	76%	0.755	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-20.2	-179	54.6	0	0	0	0	114.4	S586	S586-T588 PolarHBondContact O-N 3.03Å; S586-T588 PolarHBondContact OG-N 3.14Å; S586-T588 PolarHBondContact OG-OG1 3.44Å
589	T	80.5	Confident	91.3	Very high	94 Å²	94	45.9 Å²	45.9	58%	0.577	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.4	-12.7	-175.8	62.1	0	0	0	0	114.6	S586 E591	S586-T589 WeakPolarHBondContact CB-OG1 3.41Å; S586-T589 PolarHBondContact O-N 3.15Å; S586-T589 PolarHBondContact OG-N 3.2Å; S586-T589 PolarHBondContact OG-OG1 3.35Å; T589-E591 PolarHBondContact O-N 3.03Å; T589-E591 WeakPolarHBondContact OG1-CB 3.42Å; T589-E591 PolarHBondContact OG1-N 3.43Å
590	G	88.4	Confident	91.3	Very high	56 Å²	56	46 Å²	46	58%	0.577	28%	0.281	S	S	*	.			trans	68.7	3.2	-171.8	0	0	0	0	0	114.6	S586 S592	S586-G590 VanDerWaalsContact O-CA 3.3Å; S586-G590 WeakPolarHBondContact O-CA 3.44Å; S586-G590 PolarHBondContact O-N 3.45Å; G590-S592 PolarHBondContact O-N 3.17Å
591	E	87.5	Confident	91.1	Very high	52 Å²	52	51 Å²	51	24%	0.243	30%	0.304	C	S	.	.			trans	-66.8	116.1	179.5	-173.1	176.6	-177.9	0	0	109.8	S548 R550 T585 S586 T589 T594	S548-E591 WeakPolarHBondContact CB-OE1 3.03Å; S548-E591 VanDerWaalsContact OG-CD 3.27Å; S548-E591 PolarHBondContact OG-OE1 3.46Å; R550-E591 VanDerWaalsContact CG-OE2 3.29Å; R550-E591 WeakPolarHBondContact CG-OE2 3.4Å; R550-E591 IonicContact CZ-OE1 3.62Å; R550-E591 VanDerWaalsContact CZ-OE1 3.31Å; R550-E591 IonicContact CZ-OE2 2.7Å; R550-E591 IonicContact NE-OE1 3.8Å; R550-E591 PolarHBondContact NE-OE1 3.28Å; R550-E591 IonicContact NE-OE2 3.56Å; R550-E591 PolarHBondContact NE-OE2 3.04Å; R550-E591 IonicContact NH2-OE1 3.76Å; R550-E591 PolarHBondContact NH2-OE1 2.9Å; R550-E591 IonicContact NH2-OE2 2.76Å; T585-E591 WeakPolarHBondContact CA-O 3.39Å; S586-E591 PolarHBondContact N-O 3.15Å; T589-E591 PolarHBondContact O-N 3.03Å; T589-E591 WeakPolarHBondContact OG1-CB 3.42Å; T589-E591 PolarHBondContact OG1-N 3.43Å; E591-T594 HydrophobicContact CB-CG2 4.33Å; E591-T594 HydrophobicContact CG-CG2 4.44Å; E591-T594 VanDerWaalsContact O-CG2 3.24Å; E591-T594 WeakPolarHBondContact O-CG2 3.31Å
592	S	93.4	Very high	91.2	Very high	62 Å²	62	51.4 Å²	51.4	43%	0.434	31%	0.306	S	S	.	.	S	Bend	trans	-77.3	165.6	171.7	77.7	0	0	0	0	111.3	G584 G590 T594	G584-S592 CarbonylContact O-C 3.46Å; G590-S592 PolarHBondContact O-N 3.17Å; S592-T594 VanDerWaalsContact C-N 3.25Å; S592-T594 PolarHBondContact O-N 3.39Å
593	D	94.1	Very high	91.2	Very high	16 Å²	16	50.6 Å²	50.6	9%	0.086	30%	0.3	C	S	.	.	S	Bend	trans	54.9	41.3	177.5	-53.5	-82.6	0	0	0	112.4	Q536 N542 K545 F547 S548 G584	Q536-D593 PolarHBondContact NE2-OD1 3.31Å; N542-D593 PolarHBondContact ND2-OD1 3.11Å; K545-D593 WeakPolarHBondContact CE-OD2 3.45Å; K545-D593 IonicContact NZ-OD1 2.85Å; K545-D593 IonicContact NZ-OD2 2.74Å; K545-D593 PolarHBondContact NZ-OD2 3.06Å; F547-D593 CarbonylContact C-O 3.52Å; F547-D593 WeakPolarHBondContact CA-O 3.3Å; F547-D593 VanDerWaalsContact CB-O 3.22Å; F547-D593 WeakPolarHBondContact CB-O 3.37Å; S548-D593 PolarHBondContact N-O 3.49Å; G584-D593 PolarHBondContact O-N 3.1Å; G584-D593 VanDerWaalsContact O-N 3.08Å
594	T	96.1	Very high	91.2	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.9	-178.7	-158.2	0	0	0	0	112.5	S548 I583 G584 E591 S592 V596	S548-T594 CarbonylContact O-C 3.55Å; S548-T594 VanDerWaalsContact O-CA 3.32Å; S548-T594 WeakPolarHBondContact O-CA 3.39Å; S548-T594 PolarHBondContact O-OG1 3.36Å; S548-T594 VanDerWaalsContact O-OG1 3.11Å; S548-T594 VanDerWaalsContact OG-CB 3.29Å; S548-T594 WeakPolarHBondContact OG-CB 3.37Å; S548-T594 PolarHBondContact OG-OG1 2.91Å; I583-T594 WeakPolarHBondContact CA-O 3.46Å; G584-T594 PolarHBondContact N-O 3.42Å; G584-T594 PolarHBondContact O-N 2.93Å; E591-T594 HydrophobicContact CB-CG2 4.33Å; E591-T594 HydrophobicContact CG-CG2 4.44Å; E591-T594 VanDerWaalsContact O-CG2 3.24Å; E591-T594 WeakPolarHBondContact O-CG2 3.31Å; S592-T594 VanDerWaalsContact C-N 3.25Å; S592-T594 PolarHBondContact O-N 3.39Å; T594-V596 HydrophobicContact CG2-CG1 3.77Å; T594-V596 PolarHBondContact O-N 2.95Å
595	V	96.7	Very high	91.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	111.7	177.6	-178.3	0	0	0	0	110.7	P503 I531 F547 S548 A549 F552 R554 F581 T582	P503-V595 HydrophobicContact CG-CG2 4.27Å; I531-V595 HydrophobicContact CD1-CG1 4.04Å; I531-V595 HydrophobicContact CG2-CG1 4.32Å; I531-V595 HydrophobicContact CG2-CG2 4.05Å; F547-V595 HydrophobicContact CD2-CG2 3.7Å; F547-V595 HydrophobicContact CE2-CG2 3.66Å; S548-V595 PolarHBondContact O-N 3.45Å; A549-V595 HydrophobicContact CB-CB 4.32Å; A549-V595 HydrophobicContact CB-CG2 3.93Å; F552-V595 HydrophobicContact CE2-CB 3.97Å; F552-V595 HydrophobicContact CE2-CG1 3.73Å; F552-V595 HydrophobicContact CZ-CB 4.41Å; F552-V595 HydrophobicContact CZ-CG1 3.65Å; R554-V595 PolarHBondContact NH2-O 2.93Å; F581-V595 HydrophobicContact CB-CG1 3.88Å; F581-V595 HydrophobicContact CD1-CG1 4.05Å; F581-V595 HydrophobicContact CG-CG1 4.14Å; T582-V595 WeakPolarHBondContact O-CA 3.11Å
596	V	95.8	Very high	91.2	Very high	23 Å²	23	47.7 Å²	47.7	14%	0.139	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	159.5	-178.9	-61	0	0	0	0	111.1	F581 T582 T594	F581-V596 CarbonylContact C-O 3.19Å; F581-V596 WeakPolarHBondContact CA-O 3.39Å; F581-V596 VanDerWaalsContact CB-O 3.28Å; F581-V596 WeakPolarHBondContact CB-O 3.48Å; F581-V596 WeakPolarHBondContact CD1-O 3.48Å; T582-V596 HydrophobicContact CG2-CG2 3.58Å; T582-V596 PolarHBondContact N-O 3.41Å; T582-V596 PolarHBondContact O-N 2.74Å; T594-V596 HydrophobicContact CG2-CG1 3.77Å; T594-V596 PolarHBondContact O-N 2.95Å
597	W	95.6	Very high	91.2	Very high	84 Å²	84	47.9 Å²	47.9	32%	0.318	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	151.8	169.7	-64	111.2	0	0	0	110.2	Y529 R554 I580 F581 H602 T604	Y529-W597 HydrophobicContact CD2-CH2 4.05Å; Y529-W597 HydrophobicContact CD2-CZ3 4.23Å; Y529-W597 HydrophobicContact CE2-CH2 4.2Å; Y529-W597 HydrophobicContact CE2-CZ3 4.1Å; R554-W597 HydrophobicContact CB-CH2 4.5Å; R554-W597 HydrophobicContact CB-CZ2 4.38Å; I580-W597 HydrophobicContact CG2-CE3 4.08Å; I580-W597 HydrophobicContact CG2-CZ3 3.8Å; F581-W597 HydrophobicContact CD1-CD2 4.22Å; F581-W597 AromaticContact CD1-CE3 3.89Å; F581-W597 HydrophobicContact CD1-CE3 3.89Å; F581-W597 HydrophobicContact CD1-CZ3 4.28Å; F581-W597 AromaticContact CE1-CD2 3.71Å; F581-W597 HydrophobicContact CE1-CD2 3.71Å; F581-W597 AromaticContact CE1-CE3 3.33Å; F581-W597 HydrophobicContact CE1-CE3 3.33Å; F581-W597 AromaticContact CE1-CH2 3.73Å; F581-W597 HydrophobicContact CE1-CH2 3.73Å; F581-W597 HydrophobicContact CE1-CZ2 4.08Å; F581-W597 AromaticContact CE1-CZ3 3.35Å; F581-W597 HydrophobicContact CE1-CZ3 3.35Å; F581-W597 HydrophobicContact CE2-CZ3 4.13Å; F581-W597 HydrophobicContact CZ-CD2 4.47Å; F581-W597 AromaticContact CZ-CE3 3.75Å; F581-W597 HydrophobicContact CZ-CE3 3.75Å; F581-W597 AromaticContact CZ-CH2 3.61Å; F581-W597 HydrophobicContact CZ-CH2 3.61Å; F581-W597 HydrophobicContact CZ-CZ2 4.36Å; F581-W597 AromaticContact CZ-CZ3 3.26Å; F581-W597 HydrophobicContact CZ-CZ3 3.26Å; W597-H602 AromaticContact CE3-ND1 3.91Å; W597-H602 HydrophobicContact CH2-CB 3.85Å; W597-H602 AromaticContact CH2-CG 3.87Å; W597-H602 HydrophobicContact CZ2-CB 4.29Å; W597-H602 HydrophobicContact CZ3-CB 4.02Å; W597-H602 AromaticContact CZ3-CE1 3.96Å; W597-H602 AromaticContact CZ3-CG 3.62Å; W597-H602 AromaticContact CZ3-ND1 3.53Å; W597-T604 HydrophobicContact CZ2-CG2 4Å
598	N	92.9	Very high	91.3	Very high	34 Å²	34	43 Å²	43	18%	0.182	25%	0.248	C	C	.	.			trans	-126.7	91	-178	178.3	79	0	0	0	110.3	L579 I580 T582 I600	L579-N598 PolarHBondContact O-ND2 2.98Å; I580-N598 PolarHBondContact O-N 3.45Å; T582-N598 HydrophobicContact CG2-CB 3.99Å; N598-I600 PolarHBondContact O-N 2.95Å
599	E	90.7	Very high	92	Very high	129 Å²	129	39.9 Å²	39.9	60%	0.603	23%	0.227	S	C	*	.	S	Bend	trans	54.4	5.6	170	-51	-51.4	105	0	0	118.5
600	I	95.8	Very high	91.9	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.01	23%	0.227	C	C	.	.			trans	-123.7	104.1	178.3	-57.8	168	0	0	0	108.1	L571 A574 L579 I580 N598 H602 V624 L628 Q631	L571-I600 HydrophobicContact CD2-CG2 3.76Å; A574-I600 HydrophobicContact CB-CD1 4.08Å; L579-I600 HydrophobicContact CB-CD1 4.3Å; I580-I600 HydrophobicContact CD1-CD1 4.19Å; N598-I600 PolarHBondContact O-N 2.95Å; I600-H602 PolarHBondContact O-ND1 3.33Å; I600-V624 HydrophobicContact CG2-CG2 3.88Å; I600-L628 HydrophobicContact CD1-CD2 3.89Å; I600-L628 HydrophobicContact CG2-CD2 4.34Å; I600-L628 HydrophobicContact CG2-CG 4.29Å; I600-Q631 HydrophobicContact CD1-CG 4.16Å; I600-Q631 HydrophobicContact CG1-CG 4.09Å
601	H	94.3	Very high	91.5	Very high	106 Å²	106	41.1 Å²	41.1	49%	0.491	22%	0.219	S	C	.	.			trans	-70.2	145.1	-175.2	-71.5	98.3	0	0	0	112.1	V624 E627	H601-V624 WeakPolarHBondContact O-CG2 3.29Å; H601-E627 IonicContact CE1-OE1 3.78Å; H601-E627 IonicContact CG-OE1 2.7Å; H601-E627 IonicContact CG-OE2 3.69Å; H601-E627 PolarHBondContact N-OE2 2.94Å; H601-E627 IonicContact ND1-OE1 2.82Å; H601-E627 PolarHBondContact ND1-OE1 2.99Å; H601-E627 IonicContact ND1-OE2 3.87Å
602	H	97.6	Very high	91.5	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.037	23%	0.23	C	C	.	.			trans	-130.7	140.7	179	-76.5	69	0	0	0	109.8	Y529 C556 W597 I600 T604	Y529-H602 AromaticContact CE2-CD2 3.65Å; Y529-H602 AromaticContact CE2-NE2 3.47Å; Y529-H602 WeakPolarHBondContact CE2-NE2 3.21Å; Y529-H602 AromaticContact CZ-NE2 3.59Å; Y529-H602 PolarHBondContact OH-NE2 2.82Å; C556-H602 HydrophobicContact CB-CB 4.2Å; W597-H602 AromaticContact CE3-ND1 3.91Å; W597-H602 HydrophobicContact CH2-CB 3.85Å; W597-H602 AromaticContact CH2-CG 3.87Å; W597-H602 HydrophobicContact CZ2-CB 4.29Å; W597-H602 HydrophobicContact CZ3-CB 4.02Å; W597-H602 AromaticContact CZ3-CE1 3.96Å; W597-H602 AromaticContact CZ3-CG 3.62Å; W597-H602 AromaticContact CZ3-ND1 3.53Å; I600-H602 PolarHBondContact O-ND1 3.33Å; H602-T604 PolarHBondContact O-N 2.84Å
603	K	96.9	Very high	91.3	Very high	11 Å²	11	42.4 Å²	42.4	5%	0.048	23%	0.231	C	C	.	.			trans	-84.9	108	173.1	-65.1	-63.6	-170.7	164.3	0	110.5	C556 Y557 G612 H613 G614 Y615 D617 Y620	C556-K603 CarbonylContact C-O 3.56Å; C556-K603 WeakPolarHBondContact CA-O 3.49Å; Y557-K603 WeakPolarHBondContact CD2-O 3.31Å; Y557-K603 PolarHBondContact N-O 3.01Å; K603-G612 PolarHBondContact NZ-O 3.47Å; K603-H613 CarbonylContact C-O 3.4Å; K603-H613 VanDerWaalsContact CA-O 3.26Å; K603-H613 WeakPolarHBondContact CA-O 3.34Å; K603-G614 WeakPolarHBondContact CD-O 3.34Å; K603-G614 WeakPolarHBondContact CE-O 3.42Å; K603-G614 PolarHBondContact NZ-O 3.49Å; K603-Y615 HydrophobicContact CB-CD2 4Å; K603-Y615 HydrophobicContact CB-CE2 3.35Å; K603-Y615 HydrophobicContact CG-CD2 4.26Å; K603-Y615 HydrophobicContact CG-CE1 4.49Å; K603-Y615 HydrophobicContact CG-CE2 3.63Å; K603-D617 VanDerWaalsContact CE-OD2 3.27Å; K603-D617 WeakPolarHBondContact CE-OD2 3.24Å; K603-D617 IonicContact NZ-OD2 2.85Å; K603-D617 PolarHBondContact NZ-OD2 3.34Å; K603-Y620 HydrophobicContact CB-CE1 4.42Å; K603-Y620 HydrophobicContact CD-CD2 4.17Å; K603-Y620 HydrophobicContact CD-CE2 4.39Å; K603-Y620 HydrophobicContact CD-CG 4.29Å; K603-Y620 HydrophobicContact CG-CD1 3.74Å; K603-Y620 HydrophobicContact CG-CD2 3.82Å; K603-Y620 HydrophobicContact CG-CE1 3.63Å; K603-Y620 HydrophobicContact CG-CE2 3.72Å; K603-Y620 HydrophobicContact CG-CG 3.81Å
604	T	94.3	Very high	91.2	Very high	42 Å²	42	41.7 Å²	41.7	26%	0.258	23%	0.226	S	C	.	.			trans	-102.1	-7	-175.9	56.2	0	0	0	0	114	H555 W597 H602 H613	H555-T604 WeakPolarHBondContact O-CA 3.33Å; W597-T604 HydrophobicContact CZ2-CG2 4Å; H602-T604 PolarHBondContact O-N 2.84Å; T604-H613 PolarHBondContact N-O 3.1Å
605	E	91.4	Very high	90.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.226	C	C	.	.			trans	-107.5	127.3	173.9	-178.3	-176.4	173.6	0	0	109.4	L378 S608 N609 L610 T611 H613 G614	L378-E605 HydrophobicContact CD2-CB 4.14Å; L378-E605 HydrophobicContact CD2-CG 4.06Å; E605-S608 VanDerWaalsContact CD-C 3.45Å; E605-S608 WeakPolarHBondContact CG-O 3.3Å; E605-S608 VanDerWaalsContact OE1-CB 3.25Å; E605-S608 WeakPolarHBondContact OE1-CB 3.1Å; E605-S608 PolarHBondContact OE1-OG 3.4Å; E605-N609 PolarHBondContact OE1-N 2.9Å; E605-L610 PolarHBondContact OE1-N 3.27Å; E605-L610 PolarHBondContact OE2-N 3.02Å; E605-L610 VanDerWaalsContact OE2-N 3.16Å; E605-T611 WeakPolarHBondContact OE2-CB 3.32Å; E605-T611 WeakPolarHBondContact OE2-CG2 3.45Å; E605-T611 PolarHBondContact OE2-N 3.27Å; E605-T611 PolarHBondContact OE2-OG1 2.83Å; E605-H613 PolarHBondContact N-O 3.16Å; E605-G614 WeakPolarHBondContact O-CA 3.07Å
606	F	91.2	Very high	90.7	Very high	12 Å²	12	45.2 Å²	45.2	5%	0.053	25%	0.25	C	C	.	.	S	Bend	trans	-83.5	-57.4	-169.4	177	-94.2	0	0	0	113.4	I377 L378 P380 I512 H514 S515 L516 P517 T524 Y557	I377-F606 PolarHBondContact O-N 3.33Å; L378-F606 PolarHBondContact O-N 3.43Å; P380-F606 HydrophobicContact CB-CD1 4Å; P380-F606 HydrophobicContact CB-CD2 3.97Å; P380-F606 HydrophobicContact CB-CE1 4.01Å; P380-F606 HydrophobicContact CB-CE2 3.96Å; P380-F606 HydrophobicContact CB-CG 4Å; P380-F606 HydrophobicContact CB-CZ 4.01Å; P380-F606 HydrophobicContact CG-CD2 4.43Å; I512-F606 HydrophobicContact CD1-CE2 4.01Å; H514-F606 HydrophobicContact CB-CE1 4.42Å; H514-F606 HydrophobicContact CB-CE2 4.47Å; H514-F606 HydrophobicContact CB-CZ 3.67Å; S515-F606 WeakPolarHBondContact O-CZ 3.32Å; L516-F606 HydrophobicContact CD2-CD2 3.6Å; L516-F606 HydrophobicContact CD2-CE2 3.63Å; L516-F606 HydrophobicContact CD2-CG 4.29Å; L516-F606 HydrophobicContact CD2-CZ 4.33Å; L516-F606 WeakPolarHBondContact CD2-O 3.5Å; L516-F606 HydrophobicContact CG-CE2 4.38Å; P517-F606 VanDerWaalsContact CD-O 3.23Å; P517-F606 WeakPolarHBondContact CD-O 3.45Å; T524-F606 HydrophobicContact CG2-CD2 4.48Å; T524-F606 HydrophobicContact CG2-CE2 3.98Å; Y557-F606 AromaticContact CD1-CD2 3.78Å; Y557-F606 HydrophobicContact CD1-CD2 3.78Å; Y557-F606 HydrophobicContact CD2-CB 3.99Å; Y557-F606 HydrophobicContact CD2-CD2 4.3Å; Y557-F606 HydrophobicContact CE1-CB 4.36Å; Y557-F606 AromaticContact CE1-CD2 3.97Å; Y557-F606 HydrophobicContact CE1-CD2 3.97Å; Y557-F606 HydrophobicContact CE2-CB 3.65Å; Y557-F606 HydrophobicContact CE2-CD2 4.48Å; Y557-F606 HydrophobicContact CG-CB 4.49Å; Y557-F606 AromaticContact CG-CD2 3.95Å; Y557-F606 HydrophobicContact CG-CD2 3.95Å
607	G	85.5	Confident	90.6	Very high	22 Å²	22	45.9 Å²	45.9	23%	0.227	25%	0.252	C	S	.	.	S	Bend	trans	-106.7	6.4	-164.8	0	0	0	0	0	115.2	I377	I377-G607 PolarHBondContact O-N 2.78Å
608	S	84.4	Confident	90.4	Very high	22 Å²	22	46.5 Å²	46.5	15%	0.154	27%	0.267	C	S	.	.			trans	-157.4	176.9	177.6	48.3	0	0	0	0	110.1	P376 I377 E605 G614 Y615	P376-S608 WeakPolarHBondContact CA-OG 3.14Å; I377-S608 PolarHBondContact N-OG 2.94Å; E605-S608 VanDerWaalsContact CD-C 3.45Å; E605-S608 WeakPolarHBondContact CG-O 3.3Å; E605-S608 VanDerWaalsContact OE1-CB 3.25Å; E605-S608 WeakPolarHBondContact OE1-CB 3.1Å; E605-S608 PolarHBondContact OE1-OG 3.4Å; S608-G614 CarbonylContact O-C 3.49Å; S608-G614 VanDerWaalsContact O-CA 3.31Å; S608-G614 WeakPolarHBondContact O-CA 3.46Å; S608-Y615 CarbonylContact C-O 2.96Å; S608-Y615 VanDerWaalsContact CA-O 3.29Å; S608-Y615 WeakPolarHBondContact CA-O 3.36Å; S608-Y615 PolarHBondContact O-N 3.01Å
609	N	88.2	Confident	90.5	Very high	58 Å²	58	49.5 Å²	49.5	31%	0.31	28%	0.283	S	S	.	.			trans	-130.4	38.5	177.5	-163.6	11.3	0	0	0	111.3	E605 T611 G612 H613 G614 Y615 P616	E605-N609 PolarHBondContact OE1-N 2.9Å; N609-T611 VanDerWaalsContact C-N 3.27Å; N609-T611 PolarHBondContact O-N 2.05Å; N609-G612 PolarHBondContact O-N 3.36Å; N609-G612 WeakPolarHBondContact OD1-CA 3.36Å; N609-G612 PolarHBondContact OD1-N 3.5Å; N609-G612 PolarHBondContact OD1-O 3.17Å; N609-H613 PolarHBondContact OD1-N 3.05Å; N609-G614 VanDerWaalsContact CG-C 3.48Å; N609-G614 VanDerWaalsContact CG-O 3.3Å; N609-G614 PolarHBondContact ND2-O 3.39Å; N609-G614 WeakPolarHBondContact OD1-CA 3.4Å; N609-G614 PolarHBondContact OD1-N 3.37Å; N609-G614 PolarHBondContact OD1-O 3.27Å; N609-Y615 PolarHBondContact N-O 3.22Å; N609-P616 PolarHBondContact ND2-O 3.41Å
610	L	79.6	Confident	90.7	Very high	109 Å²	109	43.8 Å²	43.8	57%	0.571	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-21.5	-176.7	-69.1	178.1	0	0	0	112.6	P376 E605	P376-L610 HydrophobicContact CB-CB 4.32Å; P376-L610 HydrophobicContact CB-CD1 4.2Å; E605-L610 PolarHBondContact OE1-N 3.27Å; E605-L610 PolarHBondContact OE2-N 3.02Å; E605-L610 VanDerWaalsContact OE2-N 3.16Å
611	T	79.4	Confident	90.8	Very high	68 Å²	68	43.8 Å²	43.8	42%	0.417	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-5	176.4	63.8	0	0	0	0	113.8	E605 N609 H613	E605-T611 WeakPolarHBondContact OE2-CB 3.32Å; E605-T611 WeakPolarHBondContact OE2-CG2 3.45Å; E605-T611 PolarHBondContact OE2-N 3.27Å; E605-T611 PolarHBondContact OE2-OG1 2.83Å; N609-T611 VanDerWaalsContact C-N 3.27Å; N609-T611 PolarHBondContact O-N 2.05Å; T611-H613 PolarHBondContact O-CD2 3.38Å; T611-H613 VanDerWaalsContact O-CD2 3.28Å; T611-H613 PolarHBondContact O-N 2.84Å; T611-H613 PolarHBondContact OG1-N 3.09Å
612	G	86.8	Confident	90.8	Very high	46 Å²	46	42.2 Å²	42.2	47%	0.474	25%	0.251	S	S	.	.	S	Bend	trans	78.4	-15.8	-167.4	0	0	0	0	0	114.3	K603 N609	K603-G612 PolarHBondContact NZ-O 3.47Å; N609-G612 PolarHBondContact O-N 3.36Å; N609-G612 WeakPolarHBondContact OD1-CA 3.36Å; N609-G612 PolarHBondContact OD1-N 3.5Å; N609-G612 PolarHBondContact OD1-O 3.17Å
613	H	90.2	Very high	90.7	Very high	95 Å²	95	45.7 Å²	45.7	44%	0.44	27%	0.27	S	S	.	.	S	Bend	trans	-101.3	30.8	-178.5	-54.5	-68.3	0	0	0	113	K603 T604 E605 N609 T611	K603-H613 CarbonylContact C-O 3.4Å; K603-H613 VanDerWaalsContact CA-O 3.26Å; K603-H613 WeakPolarHBondContact CA-O 3.34Å; T604-H613 PolarHBondContact N-O 3.1Å; E605-H613 PolarHBondContact N-O 3.16Å; N609-H613 PolarHBondContact OD1-N 3.05Å; T611-H613 PolarHBondContact O-CD2 3.38Å; T611-H613 VanDerWaalsContact O-CD2 3.28Å; T611-H613 PolarHBondContact O-N 2.84Å; T611-H613 PolarHBondContact OG1-N 3.09Å
614	G	91.1	Very high	90.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-136.5	-159	-178.5	0	0	0	0	0	115.2	K603 E605 S608 N609	K603-G614 WeakPolarHBondContact CD-O 3.34Å; K603-G614 WeakPolarHBondContact CE-O 3.42Å; K603-G614 PolarHBondContact NZ-O 3.49Å; E605-G614 WeakPolarHBondContact O-CA 3.07Å; S608-G614 CarbonylContact O-C 3.49Å; S608-G614 VanDerWaalsContact O-CA 3.31Å; S608-G614 WeakPolarHBondContact O-CA 3.46Å; N609-G614 VanDerWaalsContact CG-C 3.48Å; N609-G614 VanDerWaalsContact CG-O 3.3Å; N609-G614 PolarHBondContact ND2-O 3.39Å; N609-G614 WeakPolarHBondContact OD1-CA 3.4Å; N609-G614 PolarHBondContact OD1-N 3.37Å; N609-G614 PolarHBondContact OD1-O 3.27Å
615	Y	89.4	Confident	90.7	Very high	0 Å²	0	45 Å²	45	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-123.2	150.7	-172.3	-75.1	-82.5	0	0	0	111.8	L516 Y519 Y557 K603 S608 N609 Y620	L516-Y615 HydrophobicContact CB-CG 4.35Å; L516-Y615 HydrophobicContact CD1-CD1 4.44Å; L516-Y615 HydrophobicContact CD1-CD2 3.89Å; L516-Y615 HydrophobicContact CD1-CE1 4.15Å; L516-Y615 HydrophobicContact CD1-CE2 3.51Å; L516-Y615 HydrophobicContact CD1-CG 4.32Å; L516-Y615 HydrophobicContact CD2-CD2 3.69Å; L516-Y615 HydrophobicContact CD2-CE2 4.04Å; L516-Y615 HydrophobicContact CD2-CG 4.27Å; L516-Y615 HydrophobicContact CG-CD2 4.24Å; L516-Y615 HydrophobicContact CG-CE2 4.33Å; Y519-Y615 HydrophobicContact CD2-CD1 4.39Å; Y519-Y615 HydrophobicContact CD2-CE1 4.36Å; Y519-Y615 HydrophobicContact CE2-CD1 4.09Å; Y519-Y615 AromaticContact CE2-CE1 3.82Å; Y519-Y615 HydrophobicContact CE2-CE1 3.82Å; Y557-Y615 PolarHBondContact O-OH 2.91Å; K603-Y615 HydrophobicContact CB-CD2 4Å; K603-Y615 HydrophobicContact CB-CE2 3.35Å; K603-Y615 HydrophobicContact CG-CD2 4.26Å; K603-Y615 HydrophobicContact CG-CE1 4.49Å; K603-Y615 HydrophobicContact CG-CE2 3.63Å; S608-Y615 CarbonylContact C-O 2.96Å; S608-Y615 VanDerWaalsContact CA-O 3.29Å; S608-Y615 WeakPolarHBondContact CA-O 3.36Å; S608-Y615 PolarHBondContact O-N 3.01Å; N609-Y615 PolarHBondContact N-O 3.22Å; Y615-Y620 HydrophobicContact CE1-CD1 4.25Å; Y615-Y620 WeakPolarHBondContact OH-CD1 3.36Å; Y615-Y620 WeakPolarHBondContact OH-CE1 3.25Å
616	P	93.1	Very high	90.9	Very high	79 Å²	79	49.5 Å²	49.5	51%	0.513	29%	0.293	S	S	.	.			cis	-76.8	147.6	6.1	31.6	-35	0	0	0	112.8	P517 N609	P517-P616 HydrophobicContact CB-CB 4.36Å; P517-P616 WeakPolarHBondContact O-CA 3.48Å; N609-P616 PolarHBondContact ND2-O 3.41Å
617	D	93.9	Very high	91	Very high	36 Å²	36	51 Å²	51	19%	0.193	30%	0.3	C	S	.	.			trans	-152.4	105.2	170.7	-176	-23.9	0	0	0	107.6	K603 N619 Y620	K603-D617 VanDerWaalsContact CE-OD2 3.27Å; K603-D617 WeakPolarHBondContact CE-OD2 3.24Å; K603-D617 IonicContact NZ-OD2 2.85Å; K603-D617 PolarHBondContact NZ-OD2 3.34Å; D617-N619 VanDerWaalsContact C-N 3.34Å; D617-N619 PolarHBondContact OD1-N 3.26Å; D617-Y620 PolarHBondContact OD1-N 3.3Å
618	P	92.3	Very high	91.4	Very high	97 Å²	97	49.9 Å²	49.9	63%	0.63	29%	0.289	S	S	*	.	S	Bend	trans	-73.7	-24.9	-176.3	29.5	-34.3	0	0	0	113
619	N	93.6	Very high	91.7	Very high	98 Å²	98	52.5 Å²	52.5	52%	0.524	31%	0.308	S	S	.	.	S	Bend	trans	-93.1	-20	-171.8	-63.7	-11.7	0	0	0	112.3	D617 L621 D622 N623	D617-N619 VanDerWaalsContact C-N 3.34Å; D617-N619 PolarHBondContact OD1-N 3.26Å; N619-L621 VanDerWaalsContact C-N 3.26Å; N619-L621 PolarHBondContact O-N 3.22Å; N619-L621 VanDerWaalsContact O-N 3.12Å; N619-D622 PolarHBondContact O-N 3.46Å; N619-N623 PolarHBondContact O-N 3.44Å; N619-N623 PolarHBondContact O-OD1 3.43Å
620	Y	96.7	Very high	91.8	Very high	8 Å²	8	52.3 Å²	52.3	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-49.9	-40.5	-176	164.7	-107.4	0	0	0	114.5	L558 K603 Y615 D617 D622 N623 V624	L558-Y620 HydrophobicContact CD2-CE1 3.63Å; L558-Y620 WeakPolarHBondContact CD2-OH 3.42Å; K603-Y620 HydrophobicContact CB-CE1 4.42Å; K603-Y620 HydrophobicContact CD-CD2 4.17Å; K603-Y620 HydrophobicContact CD-CE2 4.39Å; K603-Y620 HydrophobicContact CD-CG 4.29Å; K603-Y620 HydrophobicContact CG-CD1 3.74Å; K603-Y620 HydrophobicContact CG-CD2 3.82Å; K603-Y620 HydrophobicContact CG-CE1 3.63Å; K603-Y620 HydrophobicContact CG-CE2 3.72Å; K603-Y620 HydrophobicContact CG-CG 3.81Å; Y615-Y620 HydrophobicContact CE1-CD1 4.25Å; Y615-Y620 WeakPolarHBondContact OH-CD1 3.36Å; Y615-Y620 WeakPolarHBondContact OH-CE1 3.25Å; D617-Y620 PolarHBondContact OD1-N 3.3Å; Y620-D622 VanDerWaalsContact C-N 3.32Å; Y620-D622 PolarHBondContact O-N 3.37Å; Y620-N623 PolarHBondContact O-N 2.83Å; Y620-V624 HydrophobicContact CE2-CB 4.11Å; Y620-V624 HydrophobicContact CE2-CG1 4.48Å; Y620-V624 HydrophobicContact CE2-CG2 4.46Å; Y620-V624 WeakPolarHBondContact O-CB 3.27Å; Y620-V624 WeakPolarHBondContact O-CG1 3.44Å; Y620-V624 PolarHBondContact O-N 3.41Å
621	L	96.4	Very high	92.3	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	29%	0.292	C	S	.	.	H	α-helix	trans	-68.5	-28.4	-179.7	-66.6	-178.8	0	0	0	113.2	L558 P559 K563 V567 N619 L625	L558-L621 HydrophobicContact CD2-CD2 4.33Å; P559-L621 HydrophobicContact CG-CD1 3.85Å; K563-L621 HydrophobicContact CB-CD1 4.16Å; K563-L621 HydrophobicContact CD-CB 3.89Å; K563-L621 HydrophobicContact CD-CD1 4Å; K563-L621 HydrophobicContact CG-CB 4.17Å; K563-L621 HydrophobicContact CG-CD1 4.05Å; V567-L621 HydrophobicContact CG2-CD2 4.23Å; N619-L621 VanDerWaalsContact C-N 3.26Å; N619-L621 PolarHBondContact O-N 3.22Å; N619-L621 VanDerWaalsContact O-N 3.12Å; L621-L625 VanDerWaalsContact O-CD1 3.29Å; L621-L625 WeakPolarHBondContact O-CD1 3.16Å; L621-L625 WeakPolarHBondContact O-CG 3.21Å; L621-L625 PolarHBondContact O-N 3.05Å
622	D	95.4	Very high	92.8	Very high	73 Å²	73	46 Å²	46	39%	0.39	28%	0.282	S	S	.	.	H	α-helix	trans	-81.2	-39.5	174.4	-67.4	-73.4	0	0	0	111.5	K563 N619 Y620 L625 T626	K563-D622 WeakPolarHBondContact CE-OD1 3.23Å; K563-D622 IonicContact NZ-OD1 2.74Å; K563-D622 PolarHBondContact NZ-OD1 3.48Å; K563-D622 IonicContact NZ-OD2 3.33Å; K563-D622 PolarHBondContact NZ-OD2 3.09Å; N619-D622 PolarHBondContact O-N 3.46Å; Y620-D622 VanDerWaalsContact C-N 3.32Å; Y620-D622 PolarHBondContact O-N 3.37Å; D622-L625 PolarHBondContact O-N 3.1Å; D622-T626 PolarHBondContact O-N 3.44Å; D622-T626 PolarHBondContact O-OG1 2.8Å
623	N	95.4	Very high	93	Very high	81 Å²	81	43.8 Å²	43.8	43%	0.433	26%	0.26	S	S	.	.	H	α-helix	trans	-60.5	-49.6	176.2	-64.5	-6.5	0	0	0	110.8	N619 Y620 L625 T626 E627	N619-N623 PolarHBondContact O-N 3.44Å; N619-N623 PolarHBondContact O-OD1 3.43Å; Y620-N623 PolarHBondContact O-N 2.83Å; N623-L625 VanDerWaalsContact C-N 3.33Å; N623-L625 PolarHBondContact O-N 3.29Å; N623-T626 WeakPolarHBondContact O-CA 3.11Å; N623-T626 WeakPolarHBondContact O-CB 3.3Å; N623-T626 PolarHBondContact O-N 2.91Å; N623-T626 VanDerWaalsContact O-N 3.08Å; N623-E627 WeakPolarHBondContact O-CG 3.45Å; N623-E627 PolarHBondContact O-N 2.95Å
624	V	96.1	Very high	92.9	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-31	-179.2	75.7	0	0	0	0	112.7	V567 I600 H601 Y620 T626 L628	V567-V624 HydrophobicContact CG1-CG1 3.74Å; V567-V624 HydrophobicContact CG2-CG1 3.92Å; I600-V624 HydrophobicContact CG2-CG2 3.88Å; H601-V624 WeakPolarHBondContact O-CG2 3.29Å; Y620-V624 HydrophobicContact CE2-CB 4.11Å; Y620-V624 HydrophobicContact CE2-CG1 4.48Å; Y620-V624 HydrophobicContact CE2-CG2 4.46Å; Y620-V624 WeakPolarHBondContact O-CB 3.27Å; Y620-V624 WeakPolarHBondContact O-CG1 3.44Å; Y620-V624 PolarHBondContact O-N 3.41Å; V624-T626 VanDerWaalsContact C-N 3.35Å; V624-L628 HydrophobicContact CG2-CD1 4.31Å; V624-L628 WeakPolarHBondContact O-CB 3.47Å; V624-L628 WeakPolarHBondContact O-CD1 3.14Å; V624-L628 VanDerWaalsContact O-CG 3.24Å; V624-L628 WeakPolarHBondContact O-CG 3.36Å; V624-L628 PolarHBondContact O-N 3.23Å
625	L	95.4	Very high	92.3	Very high	39 Å²	39	44.3 Å²	44.3	20%	0.204	27%	0.268	C	S	.	.	H	α-helix	trans	-65.4	-39.5	170.6	-74.9	171.1	0	0	0	111.4	V567 L570 L621 D622 N623 S629	V567-L625 HydrophobicContact CG2-CD1 4.33Å; V567-L625 HydrophobicContact CG2-CD2 3.73Å; V567-L625 HydrophobicContact CG2-CG 3.78Å; L570-L625 HydrophobicContact CD1-CD2 3.54Å; L621-L625 VanDerWaalsContact O-CD1 3.29Å; L621-L625 WeakPolarHBondContact O-CD1 3.16Å; L621-L625 WeakPolarHBondContact O-CG 3.21Å; L621-L625 PolarHBondContact O-N 3.05Å; D622-L625 PolarHBondContact O-N 3.1Å; N623-L625 VanDerWaalsContact C-N 3.33Å; N623-L625 PolarHBondContact O-N 3.29Å; L625-S629 WeakPolarHBondContact O-CB 3.42Å; L625-S629 PolarHBondContact O-N 2.84Å
626	T	93.9	Very high	91.8	Very high	95 Å²	95	52 Å²	52	58%	0.583	31%	0.309	S	S	*	.	H	α-helix	trans	-66.5	-43.1	176	-54.4	0	0	0	0	111.4	D622 N623 V624 S629 A630	D622-T626 PolarHBondContact O-N 3.44Å; D622-T626 PolarHBondContact O-OG1 2.8Å; N623-T626 WeakPolarHBondContact O-CA 3.11Å; N623-T626 WeakPolarHBondContact O-CB 3.3Å; N623-T626 PolarHBondContact O-N 2.91Å; N623-T626 VanDerWaalsContact O-N 3.08Å; V624-T626 VanDerWaalsContact C-N 3.35Å; T626-S629 PolarHBondContact O-N 2.83Å; T626-A630 WeakPolarHBondContact O-CB 3.33Å; T626-A630 PolarHBondContact O-N 3.47Å
627	E	94	Very high	90.9	Very high	42 Å²	42	51.1 Å²	51.1	20%	0.196	30%	0.3	C	S	.	.	H	α-helix	trans	-61.2	-46.8	174.1	-70.7	167.4	-176.2	0	0	112	H601 N623 S629 A630 Q631	H601-E627 IonicContact CE1-OE1 3.78Å; H601-E627 IonicContact CG-OE1 2.7Å; H601-E627 IonicContact CG-OE2 3.69Å; H601-E627 PolarHBondContact N-OE2 2.94Å; H601-E627 IonicContact ND1-OE1 2.82Å; H601-E627 PolarHBondContact ND1-OE1 2.99Å; H601-E627 IonicContact ND1-OE2 3.87Å; N623-E627 WeakPolarHBondContact O-CG 3.45Å; N623-E627 PolarHBondContact O-N 2.95Å; E627-S629 PolarHBondContact O-N 3.39Å; E627-A630 PolarHBondContact O-N 3.37Å; E627-Q631 WeakPolarHBondContact O-CG 3.3Å; E627-Q631 PolarHBondContact O-N 2.9Å
628	L	94.1	Very high	89.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-46	175.2	-79	161.3	0	0	0	111.6	L570 L571 A574 I600 V624 A630 Q631 G632 V633	L570-L628 HydrophobicContact CB-CD1 3.79Å; L570-L628 HydrophobicContact CB-CD2 4.41Å; L570-L628 HydrophobicContact CD1-CD1 4.48Å; L571-L628 HydrophobicContact CD2-CD1 4.27Å; L571-L628 HydrophobicContact CD2-CD2 4.26Å; L571-L628 HydrophobicContact CG-CD1 4.39Å; A574-L628 HydrophobicContact CB-CD2 3.73Å; I600-L628 HydrophobicContact CD1-CD2 3.89Å; I600-L628 HydrophobicContact CG2-CD2 4.34Å; I600-L628 HydrophobicContact CG2-CG 4.29Å; V624-L628 HydrophobicContact CG2-CD1 4.31Å; V624-L628 WeakPolarHBondContact O-CB 3.47Å; V624-L628 WeakPolarHBondContact O-CD1 3.14Å; V624-L628 VanDerWaalsContact O-CG 3.24Å; V624-L628 WeakPolarHBondContact O-CG 3.36Å; V624-L628 PolarHBondContact O-N 3.23Å; L628-A630 PolarHBondContact O-N 3.18Å; L628-Q631 CarbonylContact O-C 3.46Å; L628-Q631 PolarHBondContact O-N 2.85Å; L628-Q631 VanDerWaalsContact O-N 3.11Å; L628-G632 PolarHBondContact O-N 3.17Å; L628-V633 CarbonylContact C-O 3.56Å; L628-V633 HydrophobicContact CB-CB 4.34Å; L628-V633 HydrophobicContact CD2-CB 4.11Å; L628-V633 HydrophobicContact CD2-CG1 3.99Å; L628-V633 WeakPolarHBondContact O-CA 3.48Å; L628-V633 WeakPolarHBondContact O-CB 3.24Å; L628-V633 PolarHBondContact O-N 3.48Å
629	S	91.7	Very high	88.1	Confident	77 Å²	77	57.4 Å²	57.4	54%	0.538	32%	0.318	S	S	.	.	H	α-helix	trans	-60.4	-42.1	175	-172.8	0	0	0	0	112.2	L625 T626 E627 Q631 G632	L625-S629 WeakPolarHBondContact O-CB 3.42Å; L625-S629 PolarHBondContact O-N 2.84Å; T626-S629 PolarHBondContact O-N 2.83Å; E627-S629 PolarHBondContact O-N 3.39Å; S629-Q631 PolarHBondContact O-N 2.89Å; S629-G632 WeakPolarHBondContact O-CA 3.39Å; S629-G632 PolarHBondContact O-N 3.48Å
630	A	89.2	Confident	85.7	Confident	54 Å²	54	64.3 Å²	64.3	45%	0.446	36%	0.355	S	S	.	.	H	α-helix	trans	-65.2	-23.8	175.2	0	0	0	0	0	113.7	I494 T626 E627 L628 G632	I494-A630 WeakPolarHBondContact CD1-O 3.5Å; T626-A630 WeakPolarHBondContact O-CB 3.33Å; T626-A630 PolarHBondContact O-N 3.47Å; E627-A630 PolarHBondContact O-N 3.37Å; L628-A630 PolarHBondContact O-N 3.18Å; A630-G632 VanDerWaalsContact C-N 3.32Å
631	Q	90.2	Very high	85.1	Confident	21 Å²	21	67.2 Å²	67.2	10%	0.098	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	4.6	168.7	-58.8	-53.3	-28.5	0	0	113.8	I494 L579 I600 E627 L628 S629	I494-Q631 VanDerWaalsContact CD1-C 3.48Å; L579-Q631 HydrophobicContact CD1-CB 4.29Å; I600-Q631 HydrophobicContact CD1-CG 4.16Å; I600-Q631 HydrophobicContact CG1-CG 4.09Å; E627-Q631 WeakPolarHBondContact O-CG 3.3Å; E627-Q631 PolarHBondContact O-N 2.9Å; L628-Q631 CarbonylContact O-C 3.46Å; L628-Q631 PolarHBondContact O-N 2.85Å; L628-Q631 VanDerWaalsContact O-N 3.11Å; S629-Q631 PolarHBondContact O-N 2.89Å
632	G	89.3	Confident	84.5	Confident	22 Å²	22	70.6 Å²	70.6	23%	0.227	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	31.1	179.8	0	0	0	0	0	113.1	R577 L628 S629 A630 N637	R577-G632 PolarHBondContact NH1-O 3.44Å; L628-G632 PolarHBondContact O-N 3.17Å; S629-G632 WeakPolarHBondContact O-CA 3.39Å; S629-G632 PolarHBondContact O-N 3.48Å; A630-G632 VanDerWaalsContact C-N 3.32Å; G632-N637 PolarHBondContact O-OD1 3.46Å
633	V	91.3	Very high	83.9	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.006	39%	0.391	C	S	.	.			trans	-116	84.1	177.5	-176.5	0	0	0	0	108.5	L570 M573 A574 L579 L628	L570-V633 HydrophobicContact CB-CG1 4.14Å; L570-V633 HydrophobicContact CD2-CG1 4.22Å; L570-V633 WeakPolarHBondContact O-CG1 3.35Å; M573-V633 HydrophobicContact CB-CG1 4.12Å; M573-V633 HydrophobicContact CG-CG1 4.36Å; M573-V633 HydrophobicContact SD-CG1 3.86Å; A574-V633 HydrophobicContact CB-CG1 4.36Å; A574-V633 HydrophobicContact CB-CG2 4.17Å; L579-V633 HydrophobicContact CD1-CG2 3.64Å; L628-V633 CarbonylContact C-O 3.56Å; L628-V633 HydrophobicContact CB-CB 4.34Å; L628-V633 HydrophobicContact CD2-CB 4.11Å; L628-V633 HydrophobicContact CD2-CG1 3.99Å; L628-V633 WeakPolarHBondContact O-CA 3.48Å; L628-V633 WeakPolarHBondContact O-CB 3.24Å; L628-V633 PolarHBondContact O-N 3.48Å
634	G	87.9	Confident	83.2	Confident	19 Å²	19	69.8 Å²	69.8	20%	0.196	39%	0.388	C	S	.	.			trans	-106.6	173.7	178.6	0	0	0	0	0	113.5	L570 D636 N637	L570-G634 WeakPolarHBondContact CD2-O 3.44Å; G634-D636 VanDerWaalsContact C-N 3.28Å; G634-D636 PolarHBondContact O-N 2.97Å; G634-N637 PolarHBondContact N-OD1 3.14Å; G634-N637 WeakPolarHBondContact O-CB 3.45Å; G634-N637 PolarHBondContact O-N 3.32Å; G634-N637 VanDerWaalsContact O-N 3.13Å
635	E	79.6	Confident	82.4	Confident	87 Å²	87	74.2 Å²	74.2	41%	0.407	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-63.2	-35.2	175.3	-63.6	-167.7	167.2	0	0	111.8	R566 N637 L638	R566-E635 WeakPolarHBondContact CD-OE1 3.48Å; R566-E635 WeakPolarHBondContact CG-OE1 3.35Å; R566-E635 IonicContact CZ-OE1 3.38Å; R566-E635 IonicContact NE-OE1 2.73Å; R566-E635 VanDerWaalsContact NH1-CD 3.32Å; R566-E635 IonicContact NH1-OE1 2.71Å; R566-E635 PolarHBondContact NH1-OE1 3.29Å; R566-E635 IonicContact NH1-OE2 2.74Å; R566-E635 PolarHBondContact NH1-OE2 3.27Å; R566-E635 VanDerWaalsContact NH1-OE2 3.13Å; E635-N637 PolarHBondContact O-N 3.32Å; E635-L638 WeakPolarHBondContact O-CB 3.28Å; E635-L638 PolarHBondContact O-N 2.92Å
636	D	77.6	Confident	81.6	Confident	161 Å²	161	76.5 Å²	76.5	86%	0.861	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-56.5	-8.3	172.3	-41.2	-20.8	0	0	0	114.4	G634	G634-D636 VanDerWaalsContact C-N 3.28Å; G634-D636 PolarHBondContact O-N 2.97Å
637	N	74.4	Confident	80.7	Confident	61 Å²	61	75.2 Å²	75.2	33%	0.326	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-105.5	-10.1	177.6	-55.2	161.3	0	0	0	113	M573 R577 G632 G634 E635 K639	M573-N637 HydrophobicContact CE-CB 3.68Å; M573-N637 WeakPolarHBondContact CE-O 3.37Å; M573-N637 HydrophobicContact SD-CB 3.48Å; M573-N637 WeakPolarHBondContact SD-CB 3.5Å; R577-N637 PolarHBondContact NH1-OD1 3.28Å; G632-N637 PolarHBondContact O-OD1 3.46Å; G634-N637 PolarHBondContact N-OD1 3.14Å; G634-N637 WeakPolarHBondContact O-CB 3.45Å; G634-N637 PolarHBondContact O-N 3.32Å; G634-N637 VanDerWaalsContact O-N 3.13Å; E635-N637 PolarHBondContact O-N 3.32Å; N637-K639 PolarHBondContact O-N 3.3Å
638	L	69.8	Low	79.6	Confident	65 Å²	65	77.8 Å²	77.8	34%	0.34	43%	0.432	S	S	.	.			trans	-71.1	110.4	169.5	-66.5	168	0	0	0	107.1	K569 L570 M573 E635	K569-L638 HydrophobicContact CB-CD1 4.46Å; K569-L638 HydrophobicContact CB-CD2 4.01Å; L570-L638 HydrophobicContact CD2-CD1 3.98Å; L570-L638 HydrophobicContact CD2-CD2 4.3Å; L570-L638 HydrophobicContact CD2-CG 4.02Å; M573-L638 HydrophobicContact CE-CB 4.35Å; M573-L638 HydrophobicContact CE-CD2 3.47Å; M573-L638 VanDerWaalsContact CE-CD2 3.47Å; M573-L638 HydrophobicContact CE-CG 3.7Å; E635-L638 WeakPolarHBondContact O-CB 3.28Å; E635-L638 PolarHBondContact O-N 2.92Å
639	K	58.2	Low	78.4	Confident	200 Å²	200	84.3 Å²	84.3	87%	0.87	47%	0.468	S	S	*	.			trans	-76.2	135.1	162.2	-61	-176.8	178.7	-172.9	0	107.4	N637	N637-K639 PolarHBondContact O-N 3.3Å
640	D	42.3	Very low	77.2	Confident	243 Å²	243	84.9 Å²	84.9	100%	1.299	46%	0.461	S	S	*	.			trans	-55	0	173.9	-64.6	-52	0	0	0	112.5

Retrieved 640 of 640 residues in 482.8 ms (Link to these results)

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